Neutrons for science

Neutrons for society

Why Europe needs the European Spallation Source
Christian Vettier Robert McGreevy
Foreword
E
uropean countries are in the process of making important strategic
decisions about the future of facilities for neutron-scattering research.
These facilities are a key part of the portfolio of major research
infrastructures within the European Research Area. They are important tools
for studies in a broad range of science and technology – but there are too few
sources of too low intensity!
The goal of the European Spallation Source (ESS) project is to construct and
operate the next generation, high-intensity neutron source for Europe. The high
luminosity and the advanced neutron methods available at ESS will be required to
tackle challenges such as those set by the quest for more effective energy production
and storage, and a higher quality of life with better health in a cleaner environment –
as well as to satisfy human scientific curiosity.
The ESS-Scandinavia team is bringing together the necessary expertise to take
the project forward. This includes not only the technical aspects of the neutron
source itself – the accelerator and target systems, but also the scientific aspects
– the neutron-scattering instruments, their potential uses and benefits. In this
respect, ESS-Scandinavia is reviewing how a ‘science factory’ such as ESS can most
effectively translate the huge amount of data that it will produce into benefits for
both science and society.
In this booklet, we describe a few of the many ways in which ESS will help us,
from producing future generations of advanced materials to understanding the
molecules of life. ESS will be unique – the most powerful neutron-scattering facility
in the world. Europe can and should build it!

Christian Vettier Robert McGreevy

Deputy Director for Science, Chairperson,
ESS Scandinavia ESS Scandinavia Science Advisory Group
 Neutrons for science, neutrons for society

03
Neutrons for science
Neutrons for society

Contents
02 Foreword

04 Why neutrons?

06 Why ESS?

Neutrons for a sustainable society

08 Green energy generation and storage

Neutrons provide an ideal tool for probing novel systems for hydrogen storage,
fuel cells and batteries

10 Protecting the planet

Neutrons can uniquely detect tiny flaws in safety-critical plant and can help
optimise energy use

Neutrons for a healthy society

12 Understanding the molecules of life

Neutrons continue to provide new insights into how DNA and proteins function

14 Insights into the cell membrane

Neutron methods offer a powerful and unique approach to understanding the
complex biochemical processes that are mediated by the cell membrane

Neutrons for a technological society

16 Materials for tomorrow

Research using neutrons is producing the next generation of advanced materials
with optimised properties

18 Materials that take a leaf from Nature

Detergents, plastics and natural fibres have highly complex structures as
revealed by neutrons

Neutrons for a knowledge-based society

20 The power of curiosity-driven research

Neutrons are an excellent tool for exploring the frontiers of knowledge
of the physical world

22 Contacts

23 Neutron-scattering techniques
04
N
eutrons allow us to look at the world in a unique way. They
offer a range of powerful methods for analysing all forms
of matter at the microscopic scale. They help us to advance
our knowledge of complex materials, the processes of life and the
environment, and to design new technologies for the future
What are neutrons?
Atoms are made up of a nucleus surrounded by
electrons; the nucleus contains two types of particle
– protons and neutrons. Chemical elements are
characterised by the number of protons in the nucleus.
The number of neutrons can vary and this determines
the particular isotope of an element. For example, the
nucleus of the most common form of hydrogen atom
comprises just a single proton, while its heavier isotope,
called deuterium, also contains a neutron. The neutron
was first discovered in 1932.
Properties of neutrons
Neutrons like to stay inside the nucleus; outside of
it, they decay with a lifetime of about 15 minutes.
They can be released from the nucleus by a process
called fission, as happens in a nuclear reactor, but also
by firing a high-energy beam of protons into a target
of a neutron-rich element such as lead – a process
called spallation. Beams of neutrons can be scattered
by materials. If the neutron energy is chosen correctly,
then their ‘wavelength’ (equivalent to the ‘colour’ of
light) is similar to the distances between atoms or
molecules, and the pattern of scattered neutrons can
be used to produce an image of the atomic structure.
Neutrons are electrically neutral but have a ‘spin’, or
magnetic moment, so they can be used in a similar way
to provide images of magnetic structure.
[Neutrograph/ILL]
Neutrons can see fossilised
leaves inside an Antarctic rock
Analysis with neutrons
The use of neutron scattering as an analytical
or a rose inside a lead flask
technique was developed in the second half of
the 20th century. As technology and theoretical
understanding have improved, it has evolved into
a diverse range of powerful methods capable of
extracting very subtle information about the properties
and behaviour of many different kinds of materials.
Europe has been particularly strong in the range
of facilities provided for the large and increasing
number of scientists that use the technique. Neutron-
scattering methods are highly complementary to the
X-ray methods available at dedicated light sources
(synchrotron facilities).
Neutron diffraction
gives extremely precise
structural parameters for
the fullerene, crystalline
C60 (p.16)
(ISIS)
 Neutrons for science, neutrons for society

05
Sixgood reasons for using neutrons
1. A wide range of length and time-scales 4. High penetration
Neutron scattering enables scientists to study the structure Neutrons pass easily through most materials, allowing
and dynamics of atoms and molecules over an enormous the study of large or bulk samples, and buried interfaces,
range of distances and times, from a micrometre to or materials under extreme conditions such as high
one-hundred-thousandth of a micrometre, and from a temperature or pressure. Neutrons are non-
millisecond to ten-million-millionths of a millisecond. destructive, so delicate materials or precious
While other techniques can provide information either objects can be studied without fear of
within the same distance-range or the same time-range, damage. Neutron imaging (p. 23) can be
this combination of both structural and dynamical used to ‘look inside’ objects as large and
information is unique to neutrons. complex as an operating car engine.

2. A probe of magnetism Neutrons can be used to look inside the

The neutron acts as a tiny magnet, but structure of a proton or at the three-
has no charge, so we can use it to study the dimensional shape of an enzyme such
as this green fluorescent protein
(NIGMS)

magnetic structures and dynamics of materials

at the atomic scale. This magnetic behaviour
is the basis of many common devices, such as 5. A probe of
computer hard disks. fundamental properties
Studies of nuclear and particle physics
The arrangement of using neutrons can probe the building
magnetic moments in a blocks of Nature, helping us to understand
magnetic device called events – from the creation of the
a spin valve, used in hard fundamental particles and forces during
disk drive read-heads the first fractions of a second after the
Big Bang, to the explosions of massive
stars, as supernovae, in which most of
3. High sensitivity and selectivity the heavier elements were created.
Neutrons are scattered by atomic nuclei; the
degree of scattering depends not only on the element 6. A precise tool
but also on the specific isotope. Elements of similar Neutrons are an extremely
atomic weight, or different isotopes of the same precise tool. Their
element (such as hydrogen and deuterium), can scatter interaction with atoms
quite differently. This introduces the possibility of is not too strong, which
substituting one isotope for another (by clever chemistry makes analysing the data,
or biotechnology) to highlight particular groups of and understanding it,
atoms in mixtures or complex materials. Of particular straightforward. We can
importance is the fact that neutrons are very sensitive to easily compare neutron-
both hydrogen and deuterium. This has led to a powerful scattering results with
method using selective deuterium substitution to study computer simulations
complex biological and other hydrogen-containing or models.
materials, especially those containing water.

Complementarity
Because of these unique properties, neutron
scattering is an indispensable tool for studying
atomic and molecular structure and dynamics.
However, the value of neutron data is often
considerably enhanced by combining them
with complementary data obtained by
other methods. Indeed, there is no single
experimental technique that can provide
all the information needed to know about
materials. Different techniques, such as
X-ray and light scattering, and nuclear
magnetic resonance (NMR), provide different
information. As the complexity of the materials
under study increases, the approach needs to
become ‘problem-based’ rather than ‘technique-based’. The
trend is now towards the use of multiple, complementary
experimental techniques, which give us some pieces of
the puzzle.
Advanced techniques of computer simulation and
modelling are used to help put these pieces together.
Because of the simplicity of the scattering interaction,
computer simulations at the level of atoms, and
theoretical models, can be directly used to calculate the
expected neutron-scattering data, and so can be rigorously
tested by experiment. Neutrons therefore have a special
role to play in the validation of both computational
and theoretical techniques, and in supplying the input
parameters that may be used in them.
06 Why
ESS?
A next-generation high-intensity neutron source,
will provide cutting-edge opportunities for new science
T he European Spallation Source (ESS) will provide a unique source of neutrons that will enable scientists to
study a wide range of materials – including living cells – over length and time-scales that are not accessible
now; they will be able to make ‘movies’, revealing behaviour at the molecular and atomic level, and observing all
states of matter with unimaginable precision and resolution.
The high fluxes of neutrons available, together with
advanced high-performance instruments, will enable
scientists and engineers to fulfil their dearest dreams –
to track down phenomena that are still not understood
– for example, how biomolecules such as proteins
function in living tissue, the assembly and behaviour
of nano-structured materials, or the role of electron
The proposed ESS site
spins in new superconducting materials. Research at
at Lund, Sweden
ESS will assist in the development of a range of real-life
applications – from improved drug-design and delivery,
and more efficient electronic-device components, to
safer and more reliable engineering welds.
Progress in science and technology is moving
towards developing systems and devices with
greater functionality – which require more complex
materials. The characterisation and full understanding
of their properties and behaviour at the nano-scale are
key factors for the development of better, safer, smarter
and cheaper materials – that will make tomorrow’s
technology possible.
ESS is part of an array of large-scale facilities that
support European science programmes – neutron
sources, synchrotron X-ray sources, laser facilities and
NMR centres amongst them. Because ESS will draw
on the highest-quality technology and science, it will
attract the best scientists and engineers. With a rapidly
changing international R&D landscape, ESS will help
Europe to retain its competence in crucial areas such as
accelerator technologies and neutron science.
What is ESS?
Neutron beams for scattering experiments are
produced in two ways: either in a reactor using nuclear
fission to release neutrons; or using an accelerator
system to generate pulses of high-energy protons,
which in turn knock out neutrons from a target
(spallation neutrons) in the form of a pulsed beam.
European scientists have led the way in neutron
instrumentation and science, and in demonstrating the
power of neutron techniques as tools to investigate
microscopic structure in all kinds of materials, from
exotic magnetic alloys to soft biological matter.
To build on this success, a new, more powerful
neutron-scattering facility is being proposed – the
European Spallation Source. The spallation process is
almost 10 times more efficient than fission in terms
of neutron production, and is firmly based on proven
technology. The ESS development programme will,
however, explore novel avenues for producing neutron
beams. These centre on a new multi-megawatt,
accelerator-driven spallation neutron source. It will
generate neutron beams that are 50 times brighter,
thanks to the long pulses of protons and the high power
of the accelerator.
Many considerations – a significantly lower
technical risk, more scope for innovation and a power
upgrade, and an improved neutron economy – have
indicated that a stand-alone, long-pulse target
station will provide an unprecedented neutron flux,
and will be the optimum technical design for the
needs of the European science community.

ESS will be the most efficient neutron source in the world
• At peak value, neutron fluxes will exceed those of current continuous neutron
sources by two orders of magnitude.
• The pulsed time-structure of the neutron beams will allow researchers
to take full advantage of innovative instrumentation and neutron optics
(guiding and focusing).
• The wide spectrum of neutron wavelengths available will not only fulfil the
needs of today’s science but also those of tomorrow.
• New perspectives and opportunities will open up in all fields of the natural
sciences, and also for industrial applications.
ESS will offer intensity gains to
extend time and space resolution
The long-pulse option at ESS will endow more flexibility
in the design and construction of neutron instruments.
The large gains in neutron production will enable three
categories of instruments on ESS to be constructed for
three neutron-delivery regimes: ‘continuous source-
type’, ‘long-pulse’ and ‘short-pulse’. Each type has
significant advantages over what exists today. In the
long-wavelength neutron range, even short-pulse
instruments at ESS will benefit from adjusting
the shape and the length of neutron pulses:
shaping the neutron pulses with mechanical
choppers adds another degree of freedom
when tuning instrument performance
such as resolution.
Coupled to modern methods for
optimising neutron beams in terms of
wavelength (multi-spectral extraction and
wavelength multiplication), the long-pulse
neutron source at ESS will offer gains in neutron
intensity that will allow new science with real space
and real time resolution below 10 micrometres and
10 microseconds respectively.
Europe must consolidate its reputation by establishing
a new world-class neutron science facility – ESS
ESS will provide new knowledge
The unprecedented neutron intensities at ESS will
enhance capabilities to develop new materials and new
technologies in Europe. Scientific opportunities will
expand in a number of fields: the monitoring of catalytic
processes at the atomic level; the understanding of
crucial but subtle hydrogen-bonding in biomolecular
processes; and the optimisation of new pharmaceutical
products, and new magnetic and electronic materials for
cheaper and faster information transfer. The ESS neutron
source will allow key frontier experiments to be carried
out – in determining the shape and conformation of
essential macromolecules, and in the monitoring of
processes for chemistry and biochemistry, magneto-
electronics or nano-composite materials research.
Neutrons for science, neutrons for society
07
ESS – a new paradigm for user facilities
ESS-Scandinavia is promoting the concept of a research
campus at ESS based on partnerships with European
universities. ESS will not be an isolated facility but a
vibrant focus for research and innovation. Embedded
in the European network of large-scale facilities and
research centres, the ESS site will offer scientists the
appropriate scientific environment for carrying out
top-class research.
ESS will focus on the needs of users and
their research programmes. Scientists carrying
out experiments at ESS will have access
to facilities other than neutron beams.
In particular, the use of complementary
methods such as synchrotron-produced
X-rays will be facilitated and encouraged.
The on-site treatment and analysis of data
will allow experimental output to be exploited
fully. Furthermore, on-site laboratories will
provide the support to allow thermodynamic
parameters (for example, pressure, temperature,
or magnetic field, as well as humidity and other
chemical environments) to be measured during neutron
experiments, in order to help understand the responses
of samples under a broad range of conditions.
ESS will secure a European lead
in neutron science
For many years, Europe has enjoyed a worldwide
leading position in neutron methods, having created a
lively network of reactor-based and accelerator-driven
sources (p. 23). The US and Japan have already built
megawatt spallation neutron sources; furthermore,
they are already planning to expand their capabilities
by including long-pulse targets in order to benefit from
the greater potential for power upgrades. Europe must
consolidate its reputation by establishing a new world-
class neutron science facility – ESS. This facility will
exploit the benefits of the long-pulse source principles
with a purpose-built design. Coexisting with a second
tier of highly-efficient pulsed and continuous sources
now in operation, ESS will maintain Europe’s lead for
decades to come.
 Neutrons for a sustainable society

08 Green energy
generation & storage
Neutrons provide an ideal tool for probing novel systems
for hydrogen storage, fuel cells and batteries

P roducing and consuming energy is the main cause of the environmental

(Peugeot)
problems that the world is facing today. The consequences are acid rain,
greenhouse-gas emissions, urban smog and radioactive contamination. With rising
energy demand from developing countries, together with an increased use of coal,
heavy oil and oil sands, the situation is alarming – in both the short and long term.
The shift towards producing energy sustainably, including more efficient use of
energy, offers not only a major challenge to science, engineering and society but
also opens up new possibilities.
In the short term, current energy-generation
technologies need to be made more efficient and
more environmentally friendly, while in the long term,
completely new technological solutions are needed.
On both time-scales, it is essential to improve
materials and develop new ones. For example, on
the short time-scale, the materials used in power
plants must be monitored for degradation and their

(Daimler Chrysler)
durability improved; on the longer time-scale, the goal
is to develop advanced materials for ‘greener’ power-
generation schemes such as solar cells, fuel cells and
batteries. A key aim is to make a smooth transition to
a society built on sustainable energy production.
In all these areas, neutron scattering will be used
to reveal the structure and motion of atoms in
key components, thus paving the way for new
technological solutions.

(Airliquide/HFP)
The hydrogen-based society
One often proposed solution to reducing our
dependence on fossil fuels is to switch to hydrogen. Electric current The proton exchange
Ideally, hydrogen is produced from water using e- e- membrane fuel cell
renewable energy, such as solar, wind or hydro Excess Water & (PEMFC)
fuel heat out
power. The hydrogen is then subsequently ‘burned’ e- Hydrogen gas under pressure
in a fuel cell to produce electricity, with water as e- H+ is forced through a catalyst,
H2O
the only by-product. H+
typically made of platinum,
Fuel-cell technology can be adapted to almost on the anode (negative) side
H2 H+
any application – from micro-fuel cells for portable O2 of the fuel cell. Here, electrons
electronics, to fuel-cell-powered vehicles and heating H+ are stripped from the hydrogen
systems for buildings. To realise fuel cells for these atoms and carried by an
applications, we need to develop new materials
Fuel in Air in external electric circuit to the
and new technologies for each link in the energy- Anode Electrolyte Cathode cathode (positive) side. The
generation chain – from hydrogen production and positively charged hydrogen
storage to the final production of energy and its ions (protons) then pass
through the proton exchange
storage. Here, neutrons play an important role
membrane to the catalyst
because they are so sensitive to hydrogen. They
on the cathode side, where
are one of the few experimental tools that allow
they react with oxygen
researchers to observe hydrogen at the microscopic
and the electrons from
scale – for example, where it is located in a structure
the electric circuit to form
designed for hydrogen storage, or how it moves
water vapour (H2O) and heat.
through an electrolyte.
The electric circuit is
With ESS, new possibilities open up for studying the materials in real time and even used to do work, such as
directly in-situ in, for instance, a commercial working fuel cell. power a motor.
 Neutrons for science, neutrons for society

09

(BMW)
Fuel cells Hydrogen storage
Despite intense R&D over the past two decades, fuel-cell technology is still not To realise a hydrogen-based society, the issue of how
ready for large-scale commercialisation – because of a couple of bottlenecks. to store hydrogen must be solved. For use in cars, for
There are two major types of fuel cells: the high-temperature fuel cell, also called example, an inexpensive lightweight material is needed,
the solid-oxide fuel cell, which is suitable for stationary power applications; capable of taking up and releasing large volumes of
and the low-temperature fuel cell, which would be the primary choice for the hydrogen gas efficiently. As yet, no ideal material has
transport sector and consumer electronics. been identified; however, there are several candidates
In the case of low-temperature fuel cells, the polymer electrolyte, or proton worthy of further research to test their commercial
exchange membrane fuel cell (PEMFC), is currently the preferred technology (centre potential. Materials, such as light-metal hydrides
left). PEMFC development is being held back by the limited performance of the (magnesium hydride), more complex materials with
polymer membranes currently available, and also by the cost and efficiency of the metal-organic frameworks, or water-based solids called
electrode catalyst. Research is thus focused on developing new membranes, as well clathrate hydrates, can all store hydrogen at a high
as understanding the catalytic mechanism to improve the efficiency. Neutrons density – even higher than liquid hydrogen. However,
contribute by showing how hydrogen ions travel across the membrane and interact the stability and total efficiency of the absorption/
at the electrode. New membrane materials are complex composites, and so revealing desorption process need to be improved.
their structure and following dynamical processes within them requires To determine the optimal compositions of such
high-intensity neutron beams. materials, and to overcome problems such as
In addition, with ESS, in-situ studies can be carried out, which allow us to self-leaking and thermal decomposition, as well as
follow the catalytic reactions – and even image the whole fuel cell under following the absorption and desorption processes,
working conditions. neutron scattering is a key tool, through its
sensitivity to hydrogen.
Energy storage – new batteries
The lithium battery has revolutionised consumer electronics. The widespread use
of laptops and advanced mobile phones would not be possible without a battery
providing a high discharge-rate, long standby-time and long cycle-life. The lithium
battery, with its high-energy density, has exactly these characteristics. There is
currently a huge research effort going into scaling-up the technology for use in
hybrid vehicles, as well as developing an energy-storage device for wind farms and Solar cell... ...to hydrogen storage...
other renewable energy-production schemes.
The key property of an efficient battery is to be able to store
(intercalate) a high concentration of lithium ions in
the electrodes and to transport them effectively
through the electrolyte. The process also has to
be reversible to generate a large number of
charge/discharge cycles. In investigations
of new battery materials, and how they ...to car
work in a cell, neutron scattering offers
the advantage of being able to distinguish
(GEM)

light atoms in a matrix of heavier

elements. In addition, the high penetration
of neutrons allows for in-situ studies. At
present, research with neutron scattering
has been carried out mainly on ‘test-
model’ systems.
However, with the high power
of the ESS, researchers will be
able to investigate more
complex materials of
commercial interest,
and also battery packs
directly while they
(T.Yildirim/NIST)

are actually charging

and discharging.
A neutron-scattering image of a metal-organic
framework (MOF), designed for hydrogen storage
 Neutrons for a sustainable society

10 Protecting
the planet
Neutrons can uniquely detect tiny flaws in safety-critical power
plants and can help optimise efficient energy use

W hile searching for new, ‘greener’ methods of generating energy to reduce our carbon-dioxide footprint, we
also need to use the current technologies efficiently and safely, while avoiding pollution. Similarly, the raw
materials employed and the waste products generated need to be kept to a minimum.

Power plant safety

Extending the life-time and efficiency of existing power plants, both nuclear and conventional, is essential.
Maintaining the structural integrity of the engineering devices and structures in these plants is key to their safe and
efficient operation over a long period. Critical components must be frequently inspected for flaws and cracks, and it
is essential to understand the modes of failure and their relationship to the material properties.
There are a number of mechanisms that can lead to a component failing. These include fatigue-cracking
(which depends critically on the level of residual stresses in the component), stress-corrosion cracking (which
involves simultaneous exposure to corrosive environments), as well as liquid-metal or hydrogen embrittlement.
Residual stresses, in particular, play a significant role in component failure. These forces, which are frozen
into the material, are introduced at almost every level of the manufacturing process, particularly during
welding. Over the past two decades, neutron diffraction (p. 23) has contributed significantly to our
understanding of residual stresses. It provides a tool that can measure stresses accurately and
non-destructively to depths of tens of centimetres in some engineering alloys. The method uses
the crystal structure of the material as an internal strain gauge. From tiny changes in the distance
between atoms (of the order of one part in 100,000), it is possible to infer the forces (stresses) that
are acting within the material. This helps engineers validate and compare computer models for the
prediction of residual stresses.

Green catalysts
The structure of a ‘green’ catalyst Another important field, which leads to more efficient
for an ethanol fuel cell energy use as well as controlling environmental pollution,
is the development of new catalysts. These are materials
which speed up a chemical reaction, often lowering the
temperature or pressure at which the process happens.
They are essential to the manufacture of materials such
as plastics, pharmaceuticals, fuels and fertilisers. Catalysts
are vital in controlling pollution from vehicles. Catalytic
converters, which reduce carbon monoxide and nitrogen
oxides emissions, rely on a fine mesh of platinum-coated
ceramic through which the exhaust gases pass.
Chemists are continually looking for better catalysts
National Laboratory)
(Doe Brookhaven

that are more selective, efficient and environmentally

friendly. The ideal catalyst should remain active over
many reaction cycles, produce no side-products
(impurities), allow a reaction to occur in water rather
than in an organic solvent (source of pollution), at room
temperatures and pressures with little toxic waste. In
this endeavour, neutron-scattering techniques provide
a unique tool in that they allow the study of active
catalysts as they are working. Researchers can follow the
individual steps of a catalytic process, and so optimise
and tailor catalyst structure.
Transient chemical species that form during the reaction
can be identified by their crystal structure using neutron
diffraction, or by studying how their characteristic
vibrations change the neutron energy – spectroscopy
(p. 23). Many reactions involve organic compounds
containing hydrogen, which lend themselves to analysis
by neutron methods (p. 5).
 Neutrons for science, neutrons for society

11
Since the pioneering work
carried out in the 1980s,
virtually every neutron facility
in the world has developed
a dedicated beamline for
materials-engineering
work, such as the ENGIN-X
beamline at the UK neutron
spallation facility, ISIS

The crystal structure of the high-temperature

superconductor yttrium barium copper oxide,
which was extensively studied with neutrons

Nuclear waste decontamination power-plant waste. The idea is to solubilise

Chemists are also investigating novel and trap the metals by exposing them to
‘green’ solvents, which are extremely a polymer dissolved in scCO2, to which
efficient and are easily disposed they preferentially bind. The polymer-
of safely. One such example is in-scCO2 acts like a soap solution and
supercritical carbon dioxide (scCO2). can be used, for example, to clean off
This is carbon dioxide, which is held metallic residues from contaminated
under a certain critical pressure and surfaces. The pure carbon dioxide
above a critical temperature, such is then allowed to evaporate to
that it still behaves like a gas but has leave behind the solid contaminant.
the density of a liquid. It is of great Chemists aim to tailor the chemical
interest to industry because of its low structure of the polymer so that it is
toxicity and environmental impact, and optimised for this purpose.
is easy to remove at the end of a process. Neutrons – with their high penetrating
Supercritical carbon dioxide can be used power combined with their sensitivity to
to extract metal ions from industrial waste- polymer configurations – are well-suited for
water, or even radioactive metal ions from nuclear studying for studying the efficacy of green solvents..

The superconducting city

(Paul Scherrer Institute)

Even with green-energy production, it is crucial to
use energy efficiently. One route to minimising energy
loss is by using materials that conduct electricity
without resistance – superconductors. The first such
materials discovered, simple metals and alloys, were
superconducting only at temperatures just above
-273 °C (‘absolute zero’). However, in the 1980s a family
Artist’s view of a future
“superconducting” city
of copper-containing compounds was discovered that
superconduct above liquid-nitrogen temperatures.
Neutron scattering played a crucial role in revealing
the structure and providing clues about the mechanism
controlling the superconductivity. These materials
opened up the prospect of power transmission without
loss, and this is now being developed in the US and
Europe. Superconductors also repel a magnetic field,
and comprise the central component of energy-efficient
‘Maglev’ trains which are already in operation in
Japan and China. In the past few years, yet more
superconducting compounds have been uncovered
and perhaps one day a room-temperature
superconductor will be found.
Here again, ESS will play a crucial role in
this quest, by providing indispensable
information about the structure
and dynamics of these
complex materials.
 Neutrons for a healthy society

12 Understanding
the molecules
of life Neutrons continue to provide new insights
into how DNA and proteins function

The structure of DNA was

derived using X-ray diffraction
T he ability to study biological tissues with X-rays and neutrons has already given us a
great deal of information about the basic organisation of cells, and the molecules that form
the key components of living processes. Unravelling their structure and behaviour provides an
understanding of diseases such as cancer, and helps in the design of new treatments. However,
there is still a huge amount we do not know about how biological systems operate at both
the molecular level and at the scale of large molecular assemblies. ESS will make
vital contributions to increasing our knowledge, uniquely providing detailed
information – even in living specimens – not available before. Biological
materials contain a lot of hydrogen, and while the behaviour of hydrogen
is more difficult to observe and explore with X-rays, it stands out
clearly in neutron experiments. With the high flux at ESS, it will be
possible to carry out studies using much smaller samples than hitherto
possible. This is highly relevant in the health and life sciences where the
most important systems are often available only in very limited quantities.

Beautiful DNA
The beautiful long, ladder-like structure of DNA wound into a double helix was first
revealed by X-ray diffraction in 1953. This is one of the outstanding achievements in
biology and opened up a new era in our understanding of how genes regulate living
processes at the molecular level. DNA consists of four chemical units (bases) arranged
in long sequences called genes, each of which is responsible for making a particular
protein in a cell. Biologists are now trying to elucidate exactly how DNA functions
and interacts with other molecules to sustain life.
There are still many unresolved puzzles. For example,
how can DNA be packed so tightly, in a virus for
Neutron scattering example, although, when stretched out, it can be many
and biological molecules micrometres long? Neutron scattering has successfully
elucidated the structure and ordering of DNA in
Neutron scattering measured at small angles allows the concentrated solutions, in particular in the presence of
determination of the three-dimensional structure of large biological small ions which can cause the DNA coils to collapse
molecules such as DNA, proteins and protein complexes, and into condensed structures. Neutron diffraction has a
the lipids making up cell membranes. Small-angle neutron broad application to the study of DNA fibres, as well as
scattering (SANS, p. 23) can determine the solution other biological fibres, such as cellulose. Rather than
structure of these macromolecules down to a assuming a globular structure (as with many proteins),
resolution of about 1 nanometre. Neutrons can these long-chain molecules frequently assume a regular
distinguish between hydrogen and its isotope helical conformation leading to a fibrous state. Although
deuterium (p. 5 & p. 15). A feature unique these molecules might not necessarily crystallise, they
to neutron experiments is the use of can be aligned parallel to each other as fibres. Another
contrast variation in which a mixture important issue is how DNA binds water and other
of hydrogenated and deuterated molecules, which can range from small drug molecules
solvent is prepared so that its to large proteins. In combination with contrast
scattering strength matches variation (left), neutron scattering is a powerful tool for
that of selected investigating these questions. While the current focus
components in a is on structural investigations of complexes of DNA
structure. This renders with other molecules, ESS will offer superb
them ‘invisible’ so that time-resolution, allowing experiments to be
other components are carried out, allowing researchers to follow
then highlighted. structural rearrangements as they happen.

The D11 SANS

instrument at the
Institut Laue-Langevin

(Artechnique/ D. Michon)

Protein structure
Another major milestone was reached in
2003, when the Human Genome Project – the
international project to determine the full DNA
(Yann Chemla/Uc Berkeley)
sequence that makes up the 20,000 to 25,000
genes defining a human – was completed. The
challenge now is to identify the structure of the
proteins that the genes code for and determine
their function. Proteins are the workhorses of cells:
some are enzymes or membrane-bound receptors
mediating molecular processes in cells such as energy
conversion, cell division, and immune responses and
communications between cells; others are involved
in mechanical or structural functions.
During the past 20 years, advances in X-ray
crystallography have enabled molecular biologists
to solve protein structures, which may comprise
thousands of atoms, right down to the atomic
level. However, X-ray studies, on their own, do not easily
pick out the hydrogen atoms in a protein structure,
which may have a crucial role in determining how
proteins fold into their native three-dimensional
structure or how they interact with water or other
molecules. Membrane proteins can be hard to extract
and to crystallise. Furthermore, proteins in crystalline
form do not necessarily represent the conformation in
which they exist in the watery environment of the cell.
With the possibility of contrast variation, neutrons
hold great promise for studies of the structure and
function of proteins. However, due to a mismatch
between the very small protein quantities that can
be obtained in deuterated forms, and the relatively
large amount of protein required for typical neutron-
scattering measurements as carried out at today’s
neutron-scattering facilities, this promise remains to
be fulfilled. With the very high intensities that will be
available at ESS, it will become possible to work with
much smaller samples. This will open up the potential
for investigating a whole range of biologically highly
interesting systems that are available in only relatively
limited amounts.
Membrane protein cytochrome c oxidase
Neutrons for science, neutrons for society
13
DNA packaged into a virus
Protein dynamics
The large-scale motions of the components of
proteins are critical for their functionality as nano
machines, or as regulatory or signalling proteins.
Understanding the underlying processes requires
being able to access the proper length and time-
scales under natural-environmental conditions – in
solution. This can be achieved using a combination of
techniques: SANS which measures the average three-
dimensional structure of the proteins, and neutron
spin-echo spectroscopy (NSE p. 23) which measures
the movements and dynamics of their large-scale
molecular motions. Together, they provide space and
time resolution on nanometre and nanosecond scales.
This is often essential for understanding how enzymes,
the proteins that catalyse biochemical reactions, work.
An example is a recent SANS/NSE investigation of the
enzyme alcohol dehydrogenase (ADH) which, with its
cofactor nicotinamide adenine dinucleotide (NAD),
metabolises alcohol in the body. The studies revealed
how the collective motions of the various parts of ADH
cause the active site (where the alcohol binds) to open
up and allow the incorporation of the cofactor needed
to support the catalytic transformation. The experiments
demonstrate how the large-scale cooperative dynamics
of proteins can be observed, and offer a new benchmark
for computer simulations which study the influence of
temperature on biological function.
ADH, the enzyme that
metabolises alcohol
(David Silverman)
 Neutrons for a healthy society

14 Insights into the

cell membrane Neutron methods offer a powerful and unique approach to understanding the complex
biochemical processes that are mediated by the cell membrane

A ll cells and cell organelles are surrounded by a membrane that maintains their integrity. It is composed of
lipids, mainly so-called phospholipids – long-chain molecules with water-loving heads and water-hating
hydrocarbon tails that self-assemble in water with the heads and tails aligned. The membrane also acts as a
support for proteins and polysaccharides embedded in it, and controls activity in the cell, such as transport, and the
switching on and off of processes catalysed by enzymes. Much of what we know today about the cell membrane
has been obtained from neutron-diffraction and reflectometry (p. 23) measurements.
The machinery of the cell involves many intriguing processes in which signalling peptides and proteins
dock onto the cell wall to start some processes and stop others. This works with high precision 24 hours a day,
thanks to numerous control mechanisms. We know the structure of only a few of these cellular machines, and
researchers have just started to obtain access to new advanced neutron instruments to study them. At the
moment, the bottle-neck is the lack of large samples, which prevents the use of sophisticated membrane models,
and the poor time-resolution in scattering and reflectometry measurements. This challenge will be considerably
reduced when more powerful neutron sources, such as ESS, become available.

Understanding Alzheimer’s Better anaesthetics

Even the most perfect piece of machinery, such as the
living cell, sometimes goes astray – with severe effects.
One of the most drastic examples is in the brain of
patients suffering from Alzheimer’s disease, where the
misfolding of proteins outside brain cells leads to the
formation of large thread-like aggregates, so-called
amyloid plaques. Small polypeptides (fragments of
proteins) called amyloid beta peptides are thought
to be the building blocks of the aggregates. Neutron
scattering and reflectometry results have provided
new insight into the relationship between the
aggregation of the peptide in the brain and the
neurodegenerative disease.
Neutron-reflectometry measurements using model
membranes (phospholipid bilayers attached to a surface)
show that the amyloid beta peptides can penetrate
into the bilayer interior and make the membrane leaky
in terms of transporting ions such as sodium and
potassium across the membranes. This would have a
profound effect on the transmission of nerve impulses,
which depend on the transport of these ions across the
nerve-cell membrane.
How anaesthetics work at the cellular level is still
not well-understood and controversial. It is not
known whether the anaesthetic molecules just bind
to the hydrophobic interior of the cell membrane or
whether they bind to a specific receptor protein in the
membrane. A clearer understanding of the molecular
mechanism of binding would allow us to design better
and more precisely acting anaesthetics. The large
neutron flux at ESS, especially combined with a facility
for selective deuteration of biological samples, will mean
that the necessary experiments could be carried out. It
would allow researchers to prepare and measure, onsite,
a wide range of often very small samples, in which
specific molecular components have been deuterated to
reveal the binding mechanism (figure, right).
Amyloid plaques associated with Alzheimers
(Division of Molecular Psychiatry
/University of Gottingen)
 Neutrons for science, neutrons for society

15
Understanding anaesthesia Healthy eating
Neutron studies using contrast with selective deuteration (p. 12)
of how a molecule such as an anaesthetic binds with a protein Good food is essential for good health. Following concerns in the
receptor in a cell membrane. developed world about the rise of obesity and nutritionally-related
diseases, the food industry is investing in research into healthier foods.
D A Protein receptor One of the goals is to replace unhealthy saturated fats by unsaturated
B
B Anaesthetic fats. However, saturated fats, being solid, give a better structure to
the food than the more liquid unsaturated oils, and are necessary for
C Cell membrane
C achieving the right mouth sensation, spreadability and other properties
D Deuterated that make eating enjoyable. Food manufacturers, therefore, have to
solvent find other ways to give food the right structure. This requires
A
characterising foods over a wide range of length and corresponding
time-scales, from the level of molecules and their interactions, through
(a) O
 nly the solvent is deuterated to highlight the membrane, the scale of supramolecular structures (fibres, bilayers or vesicles), to
protein and anaesthetic the bulk texture.
In the case of unsaturated oils, one way of making the material
B A Deuterated more solid is to incorporate a gelling agent such as an edible organic
membrane polymer. The result is often a complex product, and it may not be clear
B Deuterated
how the molecular structure of the polymer, for example, relates to the
A solvent larger-scale organisation of the material. A complication is that most
of these materials change with time and may become unstable. Small
crystals can grow (for example, in low-fat ice-creams), which produces
an unpleasant mouth feel. Water or oil droplets can coalesce into larger
ones, which not only makes the food look unappetising but also may
(b) Both solvent and membrane are deuterated to highlight the protein render it inedible. To prevent these changes in microstructure
bound to the membrane so the structure can be studied requires understanding what
happens at the molecular
B A Deuterated level. Neutron scattering
C
membrane can access these length-
B Deuterated
scales and follow the
A solvent dynamics of changes
by taking fast, repeated
C Deuterated
measurements; however,
anaesthetic
high neutron intensities
are required.
(c) The solvent, membrane and anaesthetic are all deuterated, so that
only changes in the protein, when the anaesthetic molecule binds to
it can be explored

Treating cancer
Liposomes can be used to
Effective cancer chemotherapy requires that the drug is technique for these studies, especially as the drug and
deliver anticancer drugs
delivered directly to the tumour while avoiding healthy carrier components can be highlighted using deuterium
tissue. Several methods are being developed to target substitution. Ideally, neutron experiments need to
tumours selectively. One approach is to employ tiny be carried out on a live tumour to see how
lipid vesicles, liposomes (right), which encapsulate effective targeting is. This is only possible
the drug. Besides being highly biocompatible, with a small beam size – which therefore
liposomes offer the possibility of binding requires a high-intensity source as
hydrophobic drugs on the interior face of the provided by ESS.
lipid membrane, or hydrophilic drugs in the Another approach is to use
internal aqueous compartment. ‘Homing’ magnetic nanoparticles that can
peptides which recognise a cancer cell can be coupled to anticancer drugs. By
be attached on the outside of the liposome. using an external magnetic field,
On reaching the surroundings of tumour, the the drug can be guided towards
drug is released by some mechanism such the tumour. The diffusion and
as heat (for skin tumours) or the different orientation of the particles can
chemical surroundings of tumours. be followed using very fast SANS
Currently, much of the work on optimising (p. 23). However, what happens in a
these drug-delivery systems focuses on the constrained environment like arteries
nanoscale-structure of the liposome and how the is still unknown, and requires more
drug penetrates the leaky barrier of tumour plasma- advanced neutron experiments that would
membranes. Neutron scattering is a highly suitable be possible at ESS.
 Neutrons for a technological society

16 Materials for
tomorrow
Research using neutrons is producing the next generation
of advanced materials with optimised properties

H
(David A. Britz Et Al, Chem. Commun., 2005, 1, 37)

uman progress has been driven by the availability of new materials with
useful properties, from the first metals extracted from ores, through ceramics
and glass, to the plastics and composites of today. The goal now is to design novel
materials whose function relies on complexity that is tailored and built-in at the
atomic level. Neutrons provide a unique set of tools to probe their structure and
performance over a wide range of length and time-scales.
High-performance alloys
As early as 3000 BC, people discovered that melting
copper and tin together made an alloy, bronze, which
is more durable than its components. Over the past
century, a wide range of alloys has been developed.
Many are lightweight, high-strength materials
composed of metals and other elements not available
to our ancestors. Advances in metallurgical research
have given us a good understanding of the behaviour of
alloys on different length-scales, as the structure at the
atomic level strongly determines the performance of
the bulk material.
The ability of neutrons to penetrate matter
over a range of temperatures has meant that
neutron-scattering techniques have played
a significant part in this development. They
have, for example, allowed researchers to
find the optimal heat treatment to grow
alloys with a controlled crystal structure
Carbon nanotubes
C omplex materials based on nano-structures made
of carbon have emerged in the past two decades.
The chicken-wire structure of graphite can curl up
into nanometre-sized balls called fullerenes – the
most famous being C60 – and also into nanotubes.
Both types of structure are being very actively studied,
as they not only offer vehicles for exploring ideas
in fundamental physics but also have interesting
materials applications. A recent structure consisting
of C60 fullerenes encapsulated inside a single-walled
nanotube has excited a lot of interest because of the
potential of using such structures as single-molecule
electronic devices and nano-circuit elements.
Neutron inelastic scattering has proved
to be a unique tool for investigating
the unusual dynamics of the
fullerene molecules inside the
nanotube. ESS will prove to
be an invaluable resource in
developing such complex
nano-structures.
(Rolls-Royce)

that maximises their performance. This

has led to the development of alloys such
as high-strength aluminium and titanium,
used to make cars and aircraft lighter,
skyscrapers stronger and laptop cases
stiffer. Although the research may be driven
by the needs of the defence and aerospace
industries, the technology is often transferred
into consumer areas: racing-bike frames are made
of the same tough aluminium alloy as aircraft wings;
and hip-replacement implants utilise the titanium
alloy employed in the manufacture of aeroengine
The same tough alloy
turbine blades. developed for aeroengines is
The number of possible chemical combinations of used in hip replacements
different elements that can be incorporated in an alloy
is vast, and we have explored only a small fraction.
Novel alloys with complex crystal phases, such as
‘TRIP’ (transformation induced plasticity) steels, which
combine high strength and formability, are being
developed for use in the automotive industry, for
example. Another new ultra-hard steel, super-bainite,
is designed for armour plating. Neutron scattering will
remain an essential tool required for characterising such
materials for many decades to come.

New electronic materials
Research into advanced materials for new types of
electronic devices is a field of intense activity. These
materials may have structures with novel electronic
configurations, which combine more than one useful
property. For instance, scientists would like to find a
chemical compound that combines the property of
ferroelectricity – in which the electric dipoles of atoms
are aligned in one direction – with ferromagnetism,
in which magnetic moments (the electron spins) are
aligned. Ferroelectric materials are used in actuators and
sensors found in cars and planes, and as memories in
digital cameras, while ferromagnetic materials are found
everywhere from fridge magnets to read-write heads on
computer hard drives.
Neutron scattering is used
to investigate structure and
dynamics in novel magneto-
(Iff/Jülich)
electric materials
Combining the two effects introduces the possibility
of controlling an electric field with a magnetic field
and vice versa, which opens up the potential for
new, fast electronic switching devices and computer
memories. For many years, it was thought that such a
magneto-electric material was not possible. However,
this conclusion has recently proved to be wrong. The
answer is to make use of a phenomenon called magnetic
frustration, in which the magnetic moments in a
material have the option of aligning simultaneously in
two different directions. The orientation may then form
a spiral within each plane of atoms. Surprisingly, some
of these spiral magnets are also ferroelectric, such that
a magnetic field can indeed switch the direction of the
ferroelectric alignment in the material.
To make progress, polarised neutron studies
(p. 23) were absolutely critical in determining how the
magnetic moments align in these materials, and how
they are affected by external electric and magnetic
fields. For practical magneto-electric devices, we need
to find spiral magnets that work at room temperature
and are cheap to make. Copper-oxide-based materials
may be suitable candidates. However, they need to
operate at the nano-scale of today’s computer circuits.
The intense neutron beams of ESS will be required to
probe the magnetic structure and dynamics of ultra-
thin magneto-electric films that will be used in devices.
Furthermore, these new multifunctional materials have
proven to be increasingly complex in their crystal and
magnetic structure, and corresponding behaviour.
The bright neutron beams of ESS will allow us to peer
deeper into these emerging materials.
Neutrons for science, neutrons for society
17
Spintronics is the basis
of a new generation of
electronic processing
and storage devices
(IBM)
Spintronics
Another rapidly emerging field based on manipulating
electron spins is that of ‘spintronics’. The idea is to
use the spins of electrons, as well as their charges,
to process and store information. Companies such as
IBM, Hitachi, Siemens and Seagate have already made
a massive investment in spintronics research. This has
been motivated by the huge revenue (billions of dollars
per annum) they are already receiving from early devices
which exploit this effect in magnetic hard-disk read-
heads. The expectation is that the future revenue will
come from magnetic memory storage devices (MRAM),
which would be smaller and more robust.
There are huge materials-science challenges,
however, if this concept is to become a commercial
technology. Researchers would like, for example, to
produce magnetic semiconductors that operate at
room temperature, and incorporate them into thin
films. This requires characterising the chemical and
magnetic structure at the film interface, which can be
done only by using neutron reflectometry (p. 23). For
devices based on a current of electron spins, the goal
is to make three-dimensional nano-scale structures,
which allow ever larger densities of information to be
stored. A promising technique is to produce regular
grids of devices by patterning. Neutron techniques
will be needed to characterise and understand the
operation of this new generation of materials and
devices, but their increased complexity and three-
dimensional nanoscale structure will demand
improved experimental capabilities.
Racing-bike frames
are made of the same
high-performance alloy
as aircraft wings
 Neutrons for a technological society

18 Materials that take a

leaf from Nature Detergents, plastics and natural fibres have highly complex
structures as revealed by neutrons

M any of the materials we use in everyday life, from cleaning products to plastics, are based on organic
molecules which often arrange themselves in intricate ‘supramolecular’ configurations similar to those
found in Nature. These molecules contain a large amount of hydrogen, so neutrons provide an ideal tool in
exploring the intimate relationship between structure and function.

Self-organising surfactants Surfaces and interfaces

We know from daily experience that adding a The properties of many modern materials often depend
detergent to a mixture of oil and water causes on novel surface characteristics rather than the bulk
the oil to dissolve. It is what happens structure. For example, a surface might be modified
when we wash the dishes. Washing-up to control lubrication, adhesion, or detergency – or
liquids contain surfactants – long-chain to provide colour or bactericidal properties. Complex
molecules with hydrophilic heads and mixtures of highly functional organic molecules such
hydrophobic tails. These materials are as polymers, including ionic polymers (polyelectrolytes),
produced and used in huge quantities and surfactants, can be used to tailor the structure
(about 9 megatonnes a year) in and composition of surfaces to give them particular
everyday life, industrial processes and properties. A key future direction will be the increasing
in Nature. They are used in cleaning use of biological materials such as proteins and
products as well as in foods, cosmetics peptides. These molecules can selectively recognise
and pharmaceutical products. Surfactants certain molecules in an external environment, and so
are also the main components of cell act as sensors.
membranes (p. 14). Surfaces are also being designed, so that their
A key property of surfactants is that they properties change in response to external stimuli such
self-organise into nano-sized aggregates with a as changes in pH, temperature, or flow. One example
large range of structures, shapes and sizes. They is the chemical linking to a surface of a polymer with
can also form hierarchical structures over a broad a molecular structure resembling a brush. The polymer
range of length-scales. The result is that they can brushes expand at low temperature and collapse at
form highly complex, functional fluids of great commercial interest, especially high temperature. Another interesting aim is to control
when mixed with other materials. Furthermore, with the advent the surface properties of a material by changing the
of nanotechnology, it becomes very interesting to solution it is exposed to. Take dirty hair for example.
study the self-assembly process with a view to A conditioning shampoo can be designed in which
creating artificial nano-structures. the surfactants remove the dirt from the hair
Despite their importance, such processes surface at high shampoo concentrations, but
are still poorly understood. While neutron upon rinsing, the conditioning polymer
scattering has already proven to be is released onto the surface. Such
a powerful tool in investigating formulations manipulate the interaction
surfactants, ESS will offer the between polyelectrolytes and
opportunity to probe behaviour at oppositely-charged surfactants, and
previously unexplored length and are used in many applications such
time scales. This will allow us to as pharmaceuticals, personal-care
learn much more about surfactant products and waste-water treatment.
aggregates and their self-assembly. However, the mechanism of the
It will lead to a better understanding process is still not fully understood.
of natural processes (and why they go To gain deeper insights requires
wrong in diseases), as well as methods having a detailed knowledge of molecular
to optimise industrial procedures structure, composition and behaviour at
and produce advanced, more efficient or near surfaces and interfaces. Neutron
and environmentally-friendly materials. scattering, in particular reflectometry (from
Furthermore, by mimicking their self-assembling surfaces, p. 23), provides key information on the
behaviour, we might produce nano-structured surface layer structure and composition, from the
Shampoos are complex
materials or nano-machines. molecular to the meso-scale – especially with the help
fluids whose structure and
of deuterium substitution and contrast variation (p. 12).
behaviour can be followed
New and powerful neutron sources will make it possible
using neutrons
to probe the rates at which surface structures change
and other dynamic effects.
 Neutrons for science, neutrons for society

(S. E. Oswald et al.,Vadose Zone Journal, 2008, Vol. 7, No. 3)

19
or a nutrient or a toxic solution has been added. The
infiltration can be followed quantitatively, with the
water concentration recorded over time and across the
root structure. These observations can then be related
Managing to the nutrient or toxic chemical contained in the
added solution or (contaminated) soil, and also to other
plant materials conditions such as temperature, humidity and light. This
Wood and plant fibres were probably some of the first then provides detailed information on the roots and
materials used by humans. Although these high- their interplay with their environment.
performance materials seem to be abundant, resources
need to be carefully managed, especially in areas
where there are water shortages or pollution. Of vital
importance is understanding how plants absorb water
or take up nutrients, beneficial chemicals or pollutants.
Most of this interaction takes place via the roots,
however, and is thus ‘hidden’ in the soil, making such
processes difficult to study in their natural environment.
This is where neutrons can contribute significantly
because of their high penetration power for most With a more intense neutron source and advanced
elements contained in soil, which is thus almost instrumentation, it will be possible to observe the
transparent to neutrons, and because of their sensitivity root system with much finer detail at the level of the
to hydrogen – in water molecules. Neutron imaging smallest branches, which have a particularly large
(p. 23) allows living plant roots to be studied non- interface with the soil. Furthermore, the water
invasively and non-destructively without removing them content and flow in soil, especially in the vicinity of
from the soil. Using neutron tomography (similar to the roots, can be determined with high temporal and
X-ray computerised tomography hospital scanning), the spatial resolution.
three-dimensional structure of roots and their growth Neutron imaging can also be used to study the
can be reconstructed. uptake of water and other molecules in other systems
Water absorption and subsequent changes in water such as clays. Complementary information on these
Neutron imaging of a
content in both the root and soil can be observed and processes can be obtained by neutron diffraction or
lupin root at different
determined quantitatively. The development of the spectroscopy. For example, SANS (p. 23) can be used to
times after germination
roots can be followed, as well as the water distribution study the dispersion of different small particles in water;
and flow in the soil. For example, the root can first be these studies are important for our understanding of
imaged under dry conditions and then, after water, pollution and how to control it.

Processing of plastics
Novel devices such as this flexible The processing of plastics, or polymers, is
display depend on the development, of immense industrial and technological
importance in the modern world. Even a
University Belfast)

processing and assembly of new

(PPRC/Queen’s

polymeric materials ‘simple’ toothpaste tube is made of several

types of polymer with different properties,
processed into specific shapes and bonded
together. During manufacture, the melted
polymer usually has to pass through intricate
extruding equipment, and to optimise the
process for a particular end-product, it is essential
to relate the bulk flow-behaviour of the polymer to
what is happening on the molecular scale. Because
neutrons can penetrate metals, SANS, combined with
deuterium substitution can be used in situ to follow
the polymer flow in the extruder, producing a map of
the local molecular structure at various positions and
velocities in the flow. The results can be compared to
computational models, which can then be modified
accordingly and used to predict the effects of changes
in the processing.
(NHK Science and Technical
Research Laboratories)
 Neutrons and a knowledge-based society
20 The power of
curiosity-driven
research
C uriosity has been one of the main driving forces
behind human progress. Discoveries that seemed
to be entirely disconnected from everyday life when
first made, often lead to the
most remarkable technical
advances at a later stage. The
discovery of the electron in the
1890s by the British physicist
J. J. Thomson, when investigating
(André Badertscher)
the mysterious rays emanating
from a cathode in a discharge
tube, was then thought to be
“of no use to anyone.” Later, in
1911, the Dutch physicist, Heike
Kamerlingh-Onnes, wanting to
find out what happened to the
electrical conductivity of metals
at temperatures close to -273 °C
(‘absolute zero’), discovered that mercury lost all
electrical resistance to become ‘superconducting’. This
exotic electronic phenomenon, found in such extreme
conditions, was not of obvious use and was explained
by quantum physics only years later.
Today, our society is crucially dependent on our
understanding of the behaviour of electrons – for
example, in chemicals such as drugs, and in computer
chips and other electronic devices. The magnetic
resonance imaging (MRI) scanners used in hospital
diagnosis now depend on superconducting technology.
It is thus difficult to predict just how curiosity-driven
discoveries may turn into spectacular applications.
THE Benefits of frustration
Many types of exotic magnetic structures are being
studied, in which the magnetic moments can arrange
themselves in two or more ways in their lowest energy
state. This results in so-called frustration (p. 17), and
the magnetic moments are disordered in a similar way
to the disordered atoms in a glass. These materials are
called spin glasses. They are of wider interest because
the theory describing them can be applied to other
analogous, but completely different, situations.
A good example is that spin glasses can mimic how
neurons in the brain transmit and store information – in
other words, they mimic memory. The complex tasks
carried out by neurons and synapses can be described
by computer models known as neural networks. These
have found an enormous amount of success not only
in academic research but also in spectacular real-world
applications where artificial intelligence is needed, such
as flying unmanned aircraft or recognising credit-
card fraud. It turns out that the interactions between
Neutrons are an excellent tool for exploring the frontiers
of knowledge of the physical world
Spin glasses can be used to
model neural networks
Neutrons have uncovered
the exotic electronic
behaviour of a new family
of materials including
uranium ruthenium silicide
Uranium
Uranium
Uranium
Ruthenium/Rhenium
Ruthenium/rhenium
Ruthenium/Rhenium
Silicon
Silicon
Silicon
(V. Krishnamurthy et al.)
electrons in a spin glass are similar to those between
neurons in a neural net. Using the ideas of spin glasses
derived from looking at magnetic materials, neural
networks can be constructed to correct transmitted
electronic signals that have been corrupted by
background noise.
Neutrons can provide detailed information
on how the electron spins are arranged in
spin glasses, and how they move in time,
and so test improved theoretical models
that lead to progress in neural networks
and our general understanding of
materials. Such experiments are currently
intensity-limited. With the powerful beams
produced by ESS, detailed comparison
between experiments and theories will be
pushed to unprecedented precision.
Investigating new states of matter
Physicists continue to explore complex electronic
behaviour and the underlying quantum physics,
sometimes under extreme conditions. Neutron
scattering is ideal for investigating exotic electronic
materials because both neutrons and electrons have a
magnetic spin. A beam of neutrons can magnetically
interact with electrons in a sample to give a scattering
pattern that provides information about their spins.
Fortunately, the neutron has no charge, otherwise
the charge interaction would completely hide the
magnetic information.
One notable success of neutron experiments has
been studies of a new family of materials uncovered
in the 1980s, which became superconducting at
temperatures above that of liquid nitrogen. The
discovery was a surprise, and researchers have been
trying to understanding this rather bizarre type of
superconductivity ever since. In these materials, it is a
property believed to be associated with certain novel
states of matter in which the electrons strongly interact
with each other – to form the so-called non-Fermi
liquids. Neutron scattering is also used to investigate
other non-Fermi liquids, in which electrons behave as
though they are very much heavier than normal. One of
the many materials recently studied, uranium ruthenium
silicide, is superconducting at low temperatures,
becoming magnetic at higher temperatures. The type of
magnetism – ferromagnetism (magnetic moments all
aligned in the same direction) or antiferromagnetism
(magnetic moments alternately oppositely aligned) –
depends on the exact alloy composition and on subtle
competing electron interactions at what is called the
quantum critical transition.
 Neutrons for science, neutrons for society

21

Understanding the Universe

As well as acting as a probe of materials, we can also
use the neutron to find out more about the fundamental
forces governing the Universe. The neutron has no
charge, and in a universe with perfectly symmetrical
forces it would also have no electric dipole moment
(EDM). However, we know that the Universe now
contains much more matter than antimatter, which
could have happened only if this symmetry were
partially broken during certain primal events just after
the Big Bang. Using neutrons at very low energies,
researchers have been trying to measure the neutron (Paul Scherrer Institute)

EDM incredibly accurately. Depending on the value of

the EDM, a set of current theories describing how the
fundamental particles and forces came into existence,
Images of the interior of
will need radical revision.
a Buddha statue, taken at
Another exciting group of experiments involves
PSI, as seen with neutrons
investigating the nature of gravity. An outstanding
and X-rays (right)
challenge is to reconcile quantum theory, used to
describe particles like the neutron, with Einstein’s
theory of gravity. By studying the reflection of very
slowly-moving, ‘ultra-cold’ neutrons off an extremely
flat mirror, it can be shown that they ‘bounce’ in
discrete steps, confirming that their gravitational
energy has a fixed set of values: it is ‘quantised’. Neutrons and heritage
Ingenious neutron experiments are being planned Neutrons offer the opportunity to look at fossils,
to investigate gravity further. ancient artefacts and works of art, probing their texture
and inner structures non-invasively, without damaging
them (p. 23), allowing us to make fascinating journeys
Measuring the motions of through history. The intense and highly-focused
ultra-cold neutrons can offer neutron beams at ESS will offer exquisite spatial
insights into the fundamental resolution within minutes, if not seconds, to reveal
forces of the Universe such crucial information about an item’s origin.
as gravity Museum experts will be able to decipher the
methods used by artists and craftsmen, by detecting
details of microstructure and composition of artefacts.
Pigments in paints and glasses will be scrutinised and
monitored, and forgeries will be easier to detect. The
high neutron sensitivity and the bright beams at ESS
will also provide support for conservation programmes
for buildings and sculptures by allowing the study of
porosity, corrosion or erosion, and even the migration
of water in materials.
Neutron imaging of geological fossils will routinely
be used to reveal their interiors. The superb contrast
obtained with neutrons will provide archaeologists
and palaeontologists with extraordinary images of
the inner structure of stones, fossils and bones, with
a spatial resolution of a micrometre. The facilities
available at ESS will make the neutron technique
better-known and amenable to a wide community
of users who will see with neutron eyes.
 Contacts and Information

22 CONTACTS & AUTHORS

For further information, contact:
ESS Scandinavia Secretariat Marianne Ekdahl
Stora Algatan 4 Communication Officer Dr Christian Vettier
223 50 LUND Phone: +46 (0)46 222 8389 Deputy Director for Science
Sweden Mobile/SMS/MMS: +46 (0)761 33 33 97 Phone: +46 (0)46 222 8312
Email: info@esss.se Email: Marianne.Ekdahl@esss.se Mobile/SMS/MMS: +46 (0)761 33 33 94
Fax: +46 (0)46 222 8314 Email: Christian.Vettier@esss.se
Web page: www.esss.se

AUTHORS

Dr Lise Arleth Professor Joel Mesot

Department of Biophysics, Faculty of Life Sciences Paul Scherrer Institut
University of Copenhagen Villigen
Denmark Switzerland
Email: lia@life.ku.dk E-mail: joel.mesot@psi.ch

Dr Dimitri Argyriou Professor Tommy Nylander

Helmholtz Centre Berlin for Materials and Energy Department of Physical Chemistry I
Berlin University of Lund,
Germany Sweden
Email: argyriou@helmholtz-berlin.de Email: tommy.nylander@fkem1.lu.se

Dr Wim G. Bouwman Dr Julian Oberdisse

Delft University of Technology Laboratory of Colloids, Glasses and Nanomaterials,
The Netherlands University of Montpellier II-CNRS
Email: w.g.bouwman@tudelft.nl France
Email: oberdi@lcvn.univ-monpt2.fr

Professor Stefan Egelhaaf Dr Helmut Schober

Condensed Matter Physics Laboratory Institut Laue-Langevin
The Heinrich Heine University of Düsseldorf Grenoble
Germany France
Email: stefan.egelhaaf@uni-duesseldorf.de Email: schober@ill.fr

Dr Robert McGreevy Dr Axel Steuwer

ISIS Pulsed Neutron and Muon Source ESS Scandinavia
STFC Rutherford Appleton Laboratory Lund
Didcot Sweden
UK Email: axel.steuwer@esss.se
Email: robert.mcgreevy@stfc.ac.uk

Dr Aleksandar Matic Dr Christian Vettier

Department of Applied Physics ESS Scandinavia
Chalmers University of Technology Lund
Göteborg Sweden
Sweden Email: christian.vettier@esss.se
Email: matic@chalmers.se
 Neutrons for science, neutrons for society

INFORMATION 23
Neutron-scattering techniques
Scientists working with neutrons have developed a sophisticated The types of methods and instruments chosen depend on the problem
toolbox to tease out information about the structure and behaviour of being solved, or sample studied. Higher-energy neutron beams (‘hot’
materials – from metals to living cells – across a wide range of scales. neutrons) are used to study structures and fast movements at the
In a typical experiment, a beam of neutrons, prepared with a particular atomic scale, while lower-energy beams (‘cold’ neutrons) are suitable
direction, energy (velocity) and spin orientation, impinges on a for studying larger structures and slower dynamics, such as the shape
sample. The scattered neutrons are then collected in a detector which of protein molecules and how they move.
measures their new directions, energies and spin states.

Diffraction Reflectometry imaging neutron spectroscopy Neutron spin echo

The pattern of neutrons
(numbers and angles)
scattered from a sample
provides information on
the relative positions of
the constituent atoms
or molecules.
Small angle neutron
scattering (SANS)
Measuring scattering at
very small angles, using
specially designed, very
long instruments, gives
information about large-
scale structures, such as
molecular assemblies in
biological cells and
composite materials.
Reflecting a neutron
beam from a surface,
or interface, produces
intensity patterns
corresponding to
structure close to
that surface.
Polarised neutrons
The spins of neutrons can
be aligned to produce
a polarised neutron
beam. Detecting how the
alignments change as the
neutrons are scattered
gives information on
magnetic structure
and dynamics.
Like X-rays, neutrons
transmitted through
an object can give either
a two-dimensional or
a three-dimensional
image (as in a hospital
X-ray scan) of the
internal structure.
Measuring the changes
in neutron energies
following scattering
provides information
on dynamic changes
at the atomic and
molecular level relevant
to atomic and molecular
motions, vibrations and
bond strengths.
Much slower dynamics
associated with large
molecular structures such
as polymer molecules can
be accessed via polarised
neutrons rotating at a
given frequency, which
then behave like a ‘clock’.
Measuring how the
clock-time changes as the
neutron beam is scattered
gives information about
energy changes at this
time-scale.

Neutron-scattering facilities around europe

IFE SINQ
1 10 Paul Scherrer
Kjeller
Institute

ISIS FRM-II
2 Rutherford 11 Munich
Appleton
Laboratory 1
3 RID NPL
Delft
12
Rez 5

GeNF 6
4 GKSS Research 13 BNC
Centre Budapest

WWR-M 4
5
Gatchina
8
3
2
6 JINR
Dubna 12
7
11
7 LLB 10 13
Saclay

9
BENSC
8 Helmholtz
Zentrum Berlin

9 ILL
Grenoble
ESS Scandinavia Secretariat
Stora Algatan 4
223 50 LUND
Sweden
Email: info@esss.se
Fax: +46 (0)46 222 8314
Web page: www.esss.se

Marianne Ekdahl
Communication Officer
Phone: +46 (0)46 222 8389
Mobile/SMS/MMS: +46 (0)761 33 33 97
Email: Marianne.Ekdahl@esss.se

Dr Christian Vettier
Deputy Director for Science
Phone: +46 (0)46 222 8312
Mobile/SMS/MMS: +46 (0)761 33 33 94
Email: Christian.Vettier@esss.se

Managing editor: Dr Christian Vettier

Editor: Nina Hall
Design & print: h2o Brand Vision Limited
June 2009