big science and materials

8/8/2019 Big Science and Materials

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Big Science and Materials -

Opportunities, Breakthroughs and the

Future

The 53rd Hatfield Memorial Lecture

Professor John Wood FREng

6 December 2005

University of Sheffield


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CCLRC Council for the Central Laboratory of theResearch Councils

The CCLRC:

operates world-class large-scale research facilities;

provides strategic advice to the government on their development;

manages international research projects in support of a broad

cross-section of the UK research community.

CCLRC is one of Europe's largest multidisciplinary research

organisations supporting scientists and engineers world-

wide and is one of eight Research Councils in the UK.


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The Research Council Family

CCLRC

UK Government

DTIOffice of Science &

Technology

EPSRCPPARC NERC BBSRC MRCESRC

DaresburyLaboratory

Rutherford AppletonLaboratory

ChilboltonObservatory

AHRC


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The CCLRC Facilities offer a diversity of experimental

techniques which are not only complementary to each other, but

also to more traditional techniques used by materials scientists.

The physical characteristics of large research facilities offer newopportunities for researchers, such as time resolved studies in a

broad range of areas:

Super conductivity

Joining techniques

Radiation hard materials

Electronic and photonic materials Surface properties

A variety of case studies will be presented


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The CCLRC sites

Three world classresearch laboratories

2

CCLRC DaresburyLaboratoryCheshire

1

CCLRC RutherfordAppletonLaboratoryOxfordshire

3

CCLRC ChilboltonObservatoryHampshire

1

2

3


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Portfolio of Current Facilities

Neutrons ISIS Pulsed Neutron Source, RAL

ILL Grenoble

Photons SRS, Daresbury

ESRF, GrenobleCentral Laser Facility, RAL

Supercomputing HPCx, Daresbury

.. a unique toolkit for materials scientists


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ISIS Experimental

FacilityCentral Laser

Facilities Astra &Vulcan

SRS ExperimentalFacility


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Institut Laue Langevin

European Synchrotron

Radiation Facility


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Portfolio of Current Programmes

Particle Physics

Computational Science

and Engineering

Space Science

and Technology

Engineering and

Instrumentation


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Hard

Soft multidisciplinarycondensed matter science

1960

1970

1990

1980

The impact of neutrons


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Length and Timescales

Complementary techniques, both conventional and state-of-the-art, offer a

broad range of options for the materials scientist.


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Structural materials

CASE STUDY 1


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A prototype wingbox typical of thatused on Very Large Aircraft being

manipulated on the ISIS ENGIN-Xinstrument

Airbus wing spar being examinedon the ENGIN-X instrument at ISIS

Accommodation of Large Scale Engineering Structures


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Intergranular stresses in engineering alloys

0 2000 40000

100

200

300

400

500

Elastic strain magnitude?106App

liedst

ressm

0 2000 4000

0002

10-11

Compression Tension

In situ mechanical testing onENGIN-X diffractometer


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Internal stress and selective transformation in TRIP steels

Microstructural evolution

Interphase stress generation Selective austenite transformation

austeniteback stress


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Optimising residual stresses in inertia friction welds

Rolls-Royce plc. Compressor rotor factory (CRF)

400

600

600

80

0

800

100

0

1000

1200

2

1

0

-1

-2

R/mm

0 1 2 3 4 5

z/mm

As welded

200

300

300

300

400

400 40

0

2

1

0

-1

-2

R/mm

0 1 2 3 4 5

z/mm

5h 810C

Modified PWHT

1500 MPa

400

500

6

00

600

600

70

0

700

800

80

0

2

1

0

-1

-2

R/mm

0 1 2 3 4 5

z/mm

5h 760C

Conventional PWHT

1000 MPa

unacceptable

Prototype welded ring


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In-situ Non Destructive Testing of Jet Engines


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FaME38 provides support to enable European materials engineers to

make the best use of the advanced neutron and synchrotron X-rayscientific facilities at ILL-ESRF.

FaME38 services include:

Microstructure characterisation

Sample metrology

Sample positioning

Test rigs

Furnaces

Virtual beamline

FAME38 at the ILL and ESRF Grenoble


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Aerodynamics of Helicopter Blades

Air flow around rotating

helicopter blades simulated bysolving the continuumequations of fluid dynamics ademanding application, even forHPCx.

Vortices thrown off by one blade

encounter the next blade as itrotates.

Collaboration with Chris Allan (Bristol) UK Applied Aeronautics Consortium


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Variant selection in shape memory materials

0 50 100 150 200 250 300

0.4

0.6

0.8

1

1.2

1.4

intensity

/(ini

111

200

311

220

202

113

002

1.0 1.5 2.0 2.5 3.00.0

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

Intensity

d-spacing [10-10m]

Austenite

1.0 1.5 2.0 2.5 3.0

0.05

0.10

0.15

0.20

0.25

Intensity

d-spacing [10-10m]

Martensite

ParentMartensiteMartensiteCoolStress loadHeatStres

NiTi

Fe-30.5at%Pd


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Materials processing

CASE STUDY 2


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646260585654525048464442403836343230282624222018161412

70

65

60

55

50

45

40

35

30

25

20

15

10

5

0

-5

-10

-15

-20

-25

-30

-35

Structure 100.00 %

XRD of alumina in 0.1s cooling at 105 deg min-1

Ceramic Formation from Molten Alumina

N. Greaves, Aberystwyth


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2.4 2.6 2.8 3.0

0.00

0.01

0.02

0.03

0.04

0.05

0.06

0.07

0.08

0.09

0.10

2s

1s1900 C

1600 C

30 C

2600 C

NormalizedW

AXSintensity

Q(A-1)0.02 0.03 0.04 0.05

0.00

0.01

0.02

0.03

0.04

0.05

0.06

0.07

1900 C

1600 C

30 C

2600 C

NormalizedSAXSintensity

Q(A-1)

Ceramic formation from molten alumina

SAXS WAXS

liquid

crystallisation

100,0

00degree

sper

min

ute

liquid

recalescenc

e

The Structure of Liquids in Real Time


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Zeolites: The Oil Industry and Consumer Products

Camblor et al, Angew. Chem., Intl. Ed. Eng., 37,2122-2126, (1998)

X-ray diffraction and X-ray absorptionspectroscopy have been used extensively tosupport research into catalysts by industrialscientists. Applications include catalystsused in the oil refining process and thoseused in washing powder.


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Combined SAXS/WAXS study of Zeolite Aformation from clear solution

Q(1/nm)

SAXS

2 Theta

WAXS

Precursor particles Zeolite LTANano-sized particles

Tim

e(min

s)

Tim

e(min

s)


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TiO2 probe Withdrawal


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How does Rock Salt Dissolve in Water?

Set up a small crystal of

NaCl surrounded by watermolecules, at a certaintemperature, and let thesystem evolve classicallyaccording to NewtonsLaws of motion.

Its quite rare for an ion to

move out of the crystal intothe solution a challengefor simulation methods.

Collaboration with Art Voter (Los Alamos)


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Surface properties

CASE STUDY 3


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Real time reduction/oxidation experiments


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reduction/oxidation cycles of iron-molybdenum-

based catalyst at ~500C

H2

O2

H2

O2

slower collection:1 reduction + 1 oxidation

cycle

Collection: 120 30 s = 60 min.

showing near-instantaneous

structural change during oxidation

and more gradual change during

reduction

fast collection:just 1 oxidation cycle

Collection; 120 2 s = 4 minutes

showing, even on this time

framing, an extremely rapid

change.


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Hydrogen sorption of Nb-catalysed, nanostructured Mg


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Materials for Energy

Research

CASE STUDY 4


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From renewables to nuclear there are significant

challenges for materials research


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Materialse.g. battery cathodes: LiMn2O4

fuel cells ZrO2: CsHSO4hydrogen storage: CHx H, Li, O mobility

CsZrMnSOCLiH

X-rays

neutrons

Materials with mobile light atoms in the presence of heavy atoms

Clean power neutron and X-ray probes


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Structural Chemistry and Physics

Energy for the future

Mg2FeH6 Clathrate hydrates


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Chemical Activity and Molecular Motions

0.2 0.40.8 0.6 0.4 0.20.2 0.40

200

400

600

800

1000

LX

(,,)(,,0)

LiD, a Very Simple Model System

K

Frequency/

cm-1

(,0,0)LiH CsH : Model systems

0 400 800 1200 1600 2000 2400 2800 3200

0 200

S(Q

,)/Arb.

Units

Neutron Energy Loss/cm-1

Ti/NaAlH4 as measuredCalculated Spectrum

NaAlH4 with Ti catalystAlnH3n clusters formed on the Ti

Catalysis, fuel cells

Powder neutron diffraction


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of lithium nitridometallates Li3-x-yMxN, M=Co, Ni, Cu

The structural studies have enabled

control to be established over the precise

stoichiometry, ordering effects and Livacancy concentrations. These factors

are crucial in determining transport

properties

853 K

853 K

963 K

Powder neutron diffraction has been

used to determine the crystal structures,

thus revealing the defect chemistry.

R di i D S


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NERC e-ENV e-scienceproject

Study of candidate

materials for long-termstorage of radioactiveelements

Radiation damage to bulkand surface

Formation and stability ofdefects, amorphisation andpercolation

DL_POLY 3 - moleculardynamics - domaindecomposition

Zirconia - 5 million atoms

Double damage event

Radiation Damage Storage


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N t l l i t t t


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Natural laminate structures

Using SR to see the wood from the trees


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Using SR to see the wood from the trees

glucoseglucose

cellulosecellulose

Structural Biology Programmes


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Structural Biology Programmes

Prof. J. Walker - 1997 Nobel PrizeProf. J. Walker - 1997 Nobel Prize

F1F1 ATPaseATPase structurestructure

Biomedical Applications


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Biomedical Applications

Muscle

Breast Brain

Sperm

The study of a diverse rangeof biological systems,

particularly in real time, haspresented many challenges.Advances in instrument and

detector development forthese systems have

benefited the physical andmaterials research

communities

S th ti P l A tifi i l M l ?


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Synthetic Polymers as Artificial Muscles?

Reversible phasechange due to external

stimuli response. pH, solvent composition

and temperature

pH = 3.5pH = 7.6

Swelling of a triblock gel

1 mm


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Ryan, Howse, Sheffield University

Steve Scott, Leeds University

Non-invasive probing of bones through tissue


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Non-invasive probing of bones through tissue

Two novel approaches for thenon-invasive probing of

diffusely scattering mediabased on laser spectroscopyhave been pioneered at theCentral Laser Facility

potential applicationsinclude disease diagnosis(e.g. osteoporosis, cancer)

and quality control inpharmaceutical industry.

CASE STUDY 6


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Cultural Heritage

CASE STUDY 6


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Cultural Heritage

Engineering, Materials Science and other applications

Axes, coins, statues, helmets, spoons, marbles, pots

Neutron Archaeometry


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Making techniques of prehistoric (4000 BC)copper axes from the Alpine region

Neutron Archaeometry

Metallurgists and ceramicists are engaged intexture research to develop materials withfavourable properties.

In contrast, geologists and archaeologistsare using textures to interpret the past.

Neutron texture data are representative ofbulk material properties

Neutron diffraction is increasingly used to

measure texture and strain, withinstrumentation dedicated to theses tasks.

The Nature of Medieval Synthetic Pigments


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1600 1200 800

Absorbance /Wavenumber (cm-1)

1650

1542

1450

1400

13221240

1172

10781044

carminic acid

protein material

CaC2O4nH2O

15

th

century Catalan gothic altarpiece by Jaume Huguet.

FTIR of the red pigment shows the presenceof carminic acid. The presence of alum was

determined by SR X-ray diffraction and SEM-

EDX, this compound is used to precipitate

the lake pigments. This pigment is related to

ancient textile activity.


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King Henry VIIIs flagship which sank in

1545 and was raised in 1982

Sulphur damage to the timbers of theMary Rose


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Mary Rose

Water-logged woodcontains sulphur whichcan turn acidic onexposure to air

SRS facilities have beenused to unravel theunderlying sulphurchemistry


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The next generation

facilities.

Peak brightness of pulsed X-ray sources


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3rd Gen. SR

2nd Gen. SR

Laser Slicing

SPPS

Initial

H.-D. Nuhn, H. Winick

PeakB

rightness[Phot./

(smrad2

mm

2

0.1

%bandw.)]

FWHM X-Ray Pulse Duration [ps]

Future

Future

ERLs

X-Ray FELs

InitialUltrafast x-ray sources will

probe space and time with

atomic resolution.

what do we do todayandwhat tomorrow?


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ISIS 2nd

Target Station

Diamond Light Source

SNS Oak Ridge USA


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g


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Schematic layout of a single pass XFEL


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A new X-ray source is needed for

studies ofnew,ofnon-equilibrium states of matter

at atomic resolution in space and time

The Future Inertial Fusion


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ITER (International Thermonuclear

Experimental Reactor)is theexperimental step between todaysstudies of plasma physics andtomorrow's electricity-producingfusion power plants.

It is based around a hydrogen plasmatorus operating at over 100 million C,

and will produce 500 MW of fusionpower.

International project involving China,the EU and Switzerland, Japan, Korea,the Russian Federation, and the USA..

Ready to start construction and the

first plasma operation expected in2016.


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International Fusion

Materials Irradiation

Facility (IFMIF)


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Challenges for the future

Improvements in detectors

New sample handling methods

Vast volumes of data to handle

Different ways of accessing the facilities

CCLRC Detector capability


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gas filled detectors

wires, microstrips

solid state detectors

strips, hybrid pixels, active pixels microelectronics and data acquisition

signal extraction, processing, acquisition

Gamma rays to infra red, charged particles and

neutrons

Intelligent Digital Pixel sensors


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BASICPIXELS

ADVANCEDPIXELS

ADVANCEDPIXELS

4mm

10mm

Time-of-flight 20us

Photon Trace on Sensor

Binary image ofpixels hit along

the way

Sparse (Binary) Image Sparse (Timed) Image

Timing informationfrom hit pixels gives

80ns resolution

Single Frame

Moving Image Timed Capture

Basic Technology MI3 Development Sensor (J Crooks)

Analogue-to-digitalconversion

DRAM storage

Logic to explore"intelligent" functionality,such as sparse readout

fast frame imaging: ~5000frame/sec

timing capture: 80ns

timing resolution of brightlaser / particle events

Collaboration with Prof. NigelAllinson, Sheffield

Gravitational Wave Detectors


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Several long-baseline (~km long) interferometric gravitational wave

detectors are in operation around the world

Aim is to detect the effects, on test masses on the Earth,

of gravitational waves generated by astrophysical sources

Gravitational waves are fluctuations (ripples) in spacetime causedby the acceleration of mass (differential strain in space)

These signals should provide unique information about astrophysicalobjects like supernovae, neutron stars-pulsars, black holes andinteractions in the early Universe

Signals are very weak detection requires construction of verysensitive optical instrumentation

Considerable research ongoing on high quality optics andcoatings

Detection of Gravitational Waves -challenges


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Detect their effects on the motionof mirrors in Fabry-Perot/Michelson

Interferometers

Gravitational waves have very weak

effect: Expect mirror movements ofless than 10-18 m over arm lengths of

4km4km

Need substrates and coatings which:

(a) withstand ~108W/m2 of continuous laserpower at 1064nm on coated mirror

(~700kW/m2 through the mirror).

Need: low optical absorption

high substrate thermal conductivity

(b)low levels of Brownian motion

Different substrate materials under study: eg

fused silica, sapphire, silicon + othersLIGO fused silica mirror (10kg)

in suspension cradle

Sample handling Stem Cells


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Gelatin micro scaffolds are manufacturedby the Central Microstructure Facility.

The scaffolds are used as support

structures to align growing human stemcells which will be used to formconnections between the spinal columnand the brain in paralysis patients.

Thermal Bimorph Actuators


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Piezoresistive Sensor

TrackActivation Track

Signal lines

distributed to contact

pads

Sample handling - Laser Tweezers


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A mist of decane aerosoldroplets (1-7 microns) was

produced using ultrasonic

nebulisation techniques

These were optically trappedusing the Raman Tweezersapparatus

Stable for 30 minutes

Raman Spectra collected

from a single droplet Controlled droplet collisions

Applications Atmospheric and

Environmental Chemistry Fast stopped-flow reactions

0

2000

4000

6000

8000

10000

12000

14000

16000

750 1000 1250 1500 1750 2000 2250 2500 2750 3000

Raman shift (relative wavenumber)

Intensity

(arbitrary

units)

Droplet

Bulk

Fascination - FELs for hard X-rays


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The X-ray free-electron lasers

will providecoherent radiation

of theproper wavelengthand

theproper time structure,

so that materials and the

changes of their properties

can be portrayed at atomic

resolution in four dimensions,

inspace and time.

Diffraction pattern of 10 x 10 x 10 Au cluster

Coulomb Explosion of Lyzosyme


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Firmename (Referentenname)28

Coulomb explosion of lysozyme (50 fs)Coulomb explosion of Lysozyme LCLS

Radiation damage

interferes with atomicscattering factors and

atomic positions

50 fs

3x1012 photons/100 nm spot

12 keV

R. Neutze, R. Wouts, D. van der Spoerl, E. Weckert, J. Hajdu: Nature 406 (2000) 752-757

t=0

t=50 fsec

t=100 fsec


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Future directions and new

opportunities for materials

research

Where next for the materialsscientist?


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Next generation facilities

more intense

brighter

wavelength optimised

increased compute power

New capabilities

smaller samples

more dilute samples

increased time resolution

Dirty & complex real systems

In-situ online materials processing

Real time materials imaging

Reaction monitoring under extreme conditions

Follow processes as molecular movies

Priority scientific areas for the next decade


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Energy for the futureDrug design and pharmaceuticals

BiotechnologyMaterials and processing

Communications

Opportunities for Industry as a Supplier


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Facilities such as ITER, IFMIF, the Linear Collider, XFEL and 4GLSwill require partnership with industry to develop for example:

Superconducting cavities/solenoids

Next generation materials for target materials and vesselconstruction

The next generation facilities will present new technologicalchallenges which will enable UK industry to engage assuppliers in their construction and commissioning.

. but also equally importantly there will be key advantagesfor industry by exploitation of these facilities


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Acknowledgements


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The work described has involved several

international and national collaborations betweenacademic colleagues and CCLRC staff.

Special thanks to Dr. Liz Towns-Andrews forputting together the presentations and interfacingwith the many internal staff involved.


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