enabling science using neutrons at the european spallation … · 2017. 11. 1. · nmx miracles...
TRANSCRIPT
EnablingScienceusingNeutrons
attheEuropeanSpallationSourceERIC
ArnoHiess
ScientificActivitiesDivision
EuropeanSpallationSourceERIC,Lund,Swedenwww.europeanspallationsource.se
EuropeanSpallationSource- Vision
Neutron
Methods
User
Access
Science,
Research
idea
byuser
proposal,
sample,labs
experiment,
sampleenv.
data,
modeling
publication
byuser
“Buildandoperatetheworld’s
mostpowerfulneutronsource,
enabling scientificbreakthroughs
inresearchrelatedtomaterials,
energy,healthandthe
environment,andaddressing
someofthemostimportant
societalchallengesofourtime.”
Journeytodelivertheworld’sleadingfacilityfor
researchusingneutrons
3
2014
ConstructionStartson
GreenFieldSite
2009
DecisiontoSiteESS
inLund
2025
ESSConstruction
PhaseComplete
2003
EuropeanDesignofESS
Completed
2012
ESSDesignUpdatePhase
Complete
2019
StartofInitial
OperationsPhase
2023
ESSStarts
UserProgram
Journeytodelivertheworld’sleadingfacility
forresearchusingneutrons
4
Financingincludescashanddeliverables
Host Countries Sweden and Denmark
Construction 47.5% Cash Investment ~ 97%Operations 15% TBC
Non Host Member Countries
Construction 52.5% In-kind Deliverables ~ 70%Operations 85% TBC
Constructionisongoing…
July2014
Aug2017
NeutronsourcesJamesChadwick- 1932
Use Polonium as alpha emitter on Beryllium
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Productionofneutrons
2-3neutronsperprocess
30+neutronsperprocess
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S. Margherita di Pula: Sept. 22, 2008 9
Neutron production by fission Bullet:
slow neutron
Target:
235U
Nuclear reaction product
236U (unstable)
Fission products:
• 2 light nuclei
• 2-3 fast neutrons
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Fissionofuranium
innuclearreactor
Spallationontarget
usingprotonaccelerator
EvolutionofNeutronSources
Berkeley37-inchcyclotron
350mCi Ra-Besource
Chadwick
1930 1970 1980 1990 2000 2010 2020
105
1010
1015
1020
1
ISIS
Particledrivenpulsed
ZING-P
ZING-P’
KENS
WNR
IPNSILL
X-10
CP-2
Fissionreactors
HFBR
HFIR
NRU
MTR
NRX
CP-1
1940 1950 1960
Effectivetherm
alneutronfluxn/cm
2-s
(UpdatedfromNeutronScattering,K.Skold andD.L.Price,eds.,AcademicPress,1986)
FRM-IISINQ
SNS
J-PARC
LANSCE
OPAL
PIK
2030
CARR
CSNS
Dhruva
IBR-II
NIST
RSGLVR JRR-3
Particledrivensteadystate
Pulsedreactor
HANAROHIFAR
SAFARI-1
SALAM
ETERR-2
MARIA
HORJEEPII
ORPHEE
ReactorSources SpallationSources
Year
ESSLightbulb
1000lm
TheEuropeanSpallationSource
HighPower
Acceleratormeans
moreneutrons
AnInnovativeTargetStationthat
canhost>30instruments
Flatmoderatordeliveringsmallerand
brighterneutronbeams
Highbrightnessandtuneableresolution
makesnewmeasurementspossible
9
4
Long-pulse performance
10time (ms)
Brig
htne
ss (n
/cm
2 /s/s
r/Å)
x1013
ISIS TS1128 kW
ISIS TS232 kW
SNS1-2 MW
JPARC0.3-1 MW
ILL 57 MW
ESS 5 MW2015 design
0 1 2 3
15
5
10λ = 5 Å
ESS 5 MW2013 design (TDR)
Possibilities of pulse shaping
ESS 2 MW2015 design
ESSInstrumentLayout(September2017)
ESSLeadPartnersfor
instrumentconstruction
+NuclearPhysics
Institute
+
ODIN
DREAM
NMX
MIRACLES
BEER
C-SPEC
T-REX
MAGIC
BIFROST
HEIMDAL
FREIA
LoKI
SKADI
VESPA
ESTIA
+
D07
11
ESSNeutronInstruments1-15+testbeamline
ESSIn-KindPartnersalsocollaborate
onsampleenvironment,data
managementsystemsetc.
100m 150m
Test BeamLine
ESSInstrumentLayout(September2017)
ODIN
DREAM
NMX
MIRACLES
BEER
C-SPEC
T-REX
MAGIC
BIFROST
HEIMDAL
FREIA
SKADI
VESPA
ESTIA
Hall1
D071× LifeScience,
1× Coldroom
D081× Chemistry,
1xRadioactiveMat.L.
D07
D08
D07deferred
toearlyInitial
Operations
12
Hall3
E031× Engineering
E041× LifeScience,
1× Coldroom
1× Instrumentroom
1× Chemistry,
1× Characterization
Hall2
D041× LifeScience,
1× Coldroom
2× Instrumentroom
D04
E04
E03
ESSNeutronInstruments1-15
andSupportInfrastructure
100m 150m
LoKI
Test BeamLine
SampleEnvironmentWorkshops
InstrumentSuiteandCollaboration
13
MAGIC
T-REX
VESPA
FREIAESTIA
ODIN
BEER
CSPEC BIFROST
MIRACLES
SANS LOKI,SKADI
Reflectometry ESTIA,FREIA
PowderDiffraction DREAM,HEIMDAL
Single-CrystalDiffraction MAGIC,NMX
Imaging&Engineering ODIN,BEER
Direct-GeometrySpectroscopy CSPEC,T-REX
Indirect-GeometrySpectroscopy BIFROST,MIRACLES,VESPA
LoKI
DREAM
NMX
SKADI
HEIMDAL
15Instrumentsselectedsofar
8tobeinuseroperationby2023
ODINimaging
SKADIGP-SANS
LOKIBroadbandSANS
SurfaceScattering
FREIAHor.Refl.
ESTIAVer.Refl.
HEIMDALPow.Diffr.
DREAMPow.Diffr.
Monochromatic Powder
Diffractometer
BEEREng.Diffr.
ExtremeConditions
Diffractometer
MAGICMagn.Diffr.
NMXMacromol.Diffr.
CSPECColdChopSp
VORBroadbandSp
T-REXThChopSpec
BIFROST Xana Spec
VESPA Vibr.Spec.
MIRACLES BckScatt
High-ResolutionSpin-Echo
Wide-AngleSpin-Echo
ParticlePhysics
Larg
e-Sc
ale
Stru
ctur
esD
iffra
ctio
n
Spec
trosc
opy
lifesciences magnetism&
superconductivity
softcondensedmatter engineering& geo-sciences
chemistryofmaterials archeology&heritage
conservation
energyresearch particlephysics
TentativeInstrumentRamp-up
Instrument 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030
LOKI
ODIN
NMX
ESTIA
CSPEC
DREAM
SKADI
BEER
BIFROST
MAGIC
T-REX
HEIMDAL
MIRACLES
VESPA
FREIA
Instrument16
Instrument17
Instrument18
Instrument19
Instrument20
Instrument21
Instrument22
Hot CommissioningConstruction Project User Programme5075100%
basedonInstrumentConstructionWorkingScheduleV3.4,15/9/2017
1MW
2MW
3MW
4MW
5MW
16
PartnerDayBelgium
February2014
Neutronsarespecial
• charge neutral: deeply pene-trating ... except for some isotopes
• nuclear interaction: cross section depending on isotope (not Z), sensitive to light elements.
• spin S = 1/2: probing magnetism
• unstable n → p + e + νe with life time τ ~ 900s , I = I0 e- t/τ
• mass: n ~p; thermal energies result in non-relativistic velocities. E = 293 K = 25 meV, v = 2196 m/s , λ = 1.8 Å
Partner(Day(Belgium
February(2014
Neutrons(are(special
4
• charge neutral: deeply pene-trating ... except for some isotopes
• nuclear interaction: cross section depending on isotope (not Z), sensitive to light elements.
• spin S = 1/2: probing magnetism
• unstable n → p + e + νe with life time τ ~ 900s , I = I0 e- t/τ
• mass: n ~p; thermal energies result in non-relativistic velocities. E = 293 K = 25 meV, v = 2196 m/s , λ = 1.8 Å
! Catalyzes the reduction of glucose to sorbitol, the first step in the alternative ‘polyol pathway’ of glucose metabolism
! Highest resolution X-ray structure for a medium-sized protein (36kDa) ! Overall more than half (54%) the H-atoms were seen, while in the active-site 77%
of H-atoms were visible ! Some of the key H-atoms were not seen due to their mobility (high B-factors) hence
the protonation states of key active-site residues were unknown
Tertiary structure of hAR
Active-site region of hAR
Plot of %visibility of H-atoms in hAR vs B-factor of bonded atom
Blakeley et al
E. Ressouche - Ecole Neutrons et magnétisme – JDN 20 (18 - 22 mai 2012)
EXEMPLE : TPV FREE RADICAL • TPV : free radical made of C (green), N (blue) and H (yellow). Carries a spin !
Where is the spin ?
MAGNETISMSCIENTIFIC HIGHLIGHTS
Coexistence of long-ranged magnetic orderand superconductivity in the pnictidesuperconductor SmFeAsO1− xFx (x = 0, 0.15)
6000 barns, nearly 2.5 times that of cadmium) yields a 1/e thickness for SmFeAsO of about 80 mg/cm2, precluding the use of conventional sample holders.
We used a recently developed large-area single-crystal flat-plate sample holder [4] to place about 1.6 g of material in the neutron beam. The scattering measurements were carried out at a wavelength of 2.417 Å on the D20 thermal powder diffractometer at the ILL. For each sample, data sets were obtained at 1.6 K and 10.0 K with counting times of 10 hours (SmFeAsO) and 15 hours (SmFeAsO0.85F0.15 ) for each temperature. The purely nuclear patterns at 10 K (figure 1a) were fitted to establish scale factors, lattice parameters and the instrument profile function. These were then fixed while the difference patterns (1.6 K−10 K) were fitted to obtain the magnetic structure. All refinements of the neutron diffraction patterns employed the FullProf suite [5, 6].
The samarium moments were found to order antiferromagnetically along the c−axis in a G-mode which has a + − + − moment sequence. This structure corresponds to the Cm'm'a' group. Figure 2a shows a representation of the derived magnetic structure of SmFeAsO at 1.6 K. Fitting the section of the diffraction pattern shown in figure 1b yields a samarium moment of 0.60(3) µB for SmFeAsO at 1.6 K.
A similar analysis of the SmFeAsO0.85 F0.15 data shown in figure 1d yields a closely related magnetic structure (Shubnikov magnetic space group: P4/n'm'm') and a Sm moment of 0.53(3) µB.
The most significant aspect of the pattern shown in figure 1d is not that SmFeAsO and SmFeAsO0.85F0.15 adopt closely related magnetic structures, but rather, that the samarium moments are magnetically ordered in a superconducting sample (this sample exhibits a Tc of 53.5 K) and that the samarium moments are essentially the same in both compounds. This provides direct confirmation that antiferromagnetic order and superconductivity co-exist in the SmFeAsO/F system [7].
We will be extending this project to the GdFeAsO system which should be easier to work with as while gadolinium has a much higher absorption cross-section it also has a larger moment, making the magnetic signal much easier to see.
High-intensity two-axis diffractometer D20
[1][2][3]
[4][5][6][7]
M.D. Lumsden and A.D. Christianson, J. Phys. Condens. Matter 22 (2010) 203203L. Ding, C. He, J.K. Dong, T. Wu, R.H. Liu, X.H. Chen, and S.Y. Li, Phys. Rev. B 77 (2008) 180510(R)
A.J. Drew, F.L. Pratt, T. Lancaster, S.J. Blundell, P.J. Baker, R.H. Liu, G. Wu, X.H. Chen, I. Watanabe, V.K. Malik,et al., Phys. Rev. Lett. 101 (2008) 097010
D.H. Ryan and L.M.D. Cranswick, J. Appl. Cryst. 41 (2008) 198J. Rodríguez-Carvajal, Physica B 192 (1993) 55
T. Roisnel and J. Rodríguez-Carvajal, Mater. Sci. Forum 378-81 (2001) 118D.H. Ryan, J.M. Cadogan, C. Ritter, F. Canepa, A. Palenzona and M. Putti, Phys. Rev. B80 (2009) 220503(R)
REFERENCES
ILL ANNUAL REPORT 2010 017
Figure 2: (a) The samarium magnetic structure of SmFeAsO at 1.6 K.The layered nature of both the chemical and magnetic structuresis emphasised by showing two unit cells in the b direction. (b) A projection of the magnetic structure onto the basal plane shows the relationship between the magnetic structures of SmFeAsOand SmFeAsO0.85 F0.15 at 1.6 K. The black discs mark the samarium atoms on the z = 0.137 plane that have their moments pointing “up”,while the green discs denote samarium atoms on the z plane that have their moments pointing “down”. Four unit cells of the smaller (tetragonal, P4/n'm'm') form of SmFeAsO0.85 F0.15 each containing two samarium atoms (one each of black and green) are shown by the magenta lines, while the relationship to the larger (orthorhombic, Cm'm'a') cell of SmFeAsO that contains four samarium atoms is shown by the grey lines.Note: The orthorhombic basal lattice parameters differ by only0.7 % and cannot be distinguished here.
b
c
FeAs
Sm
a
Sm'(z=0.137)
Sm'(z=10.137)a
b
b
a
O
Saturday, April 26, 14
Partner(Day(Belgium
February(2014
Neutrons(are(special
4
• charge neutral: deeply pene-trating ... except for some isotopes
• nuclear interaction: cross section depending on isotope (not Z), sensitive to light elements.
• spin S = 1/2: probing magnetism
• unstable n → p + e + νe with life time τ ~ 900s , I = I0 e- t/τ
• mass: n ~p; thermal energies result in non-relativistic velocities. E = 293 K = 25 meV, v = 2196 m/s , λ = 1.8 Å
! Catalyzes the reduction of glucose to sorbitol, the first step in the alternative ‘polyol pathway’ of glucose metabolism
! Highest resolution X-ray structure for a medium-sized protein (36kDa) ! Overall more than half (54%) the H-atoms were seen, while in the active-site 77%
of H-atoms were visible ! Some of the key H-atoms were not seen due to their mobility (high B-factors) hence
the protonation states of key active-site residues were unknown
Tertiary structure of hAR
Active-site region of hAR
Plot of %visibility of H-atoms in hAR vs B-factor of bonded atom
Blakeley et al
E. Ressouche - Ecole Neutrons et magnétisme – JDN 20 (18 - 22 mai 2012)
EXEMPLE : TPV FREE RADICAL • TPV : free radical made of C (green), N (blue) and H (yellow). Carries a spin !
Where is the spin ?
MAGNETISMSCIENTIFIC HIGHLIGHTS
Coexistence of long-ranged magnetic orderand superconductivity in the pnictidesuperconductor SmFeAsO1− xFx (x = 0, 0.15)
6000 barns, nearly 2.5 times that of cadmium) yields a 1/e thickness for SmFeAsO of about 80 mg/cm2, precluding the use of conventional sample holders.
We used a recently developed large-area single-crystal flat-plate sample holder [4] to place about 1.6 g of material in the neutron beam. The scattering measurements were carried out at a wavelength of 2.417 Å on the D20 thermal powder diffractometer at the ILL. For each sample, data sets were obtained at 1.6 K and 10.0 K with counting times of 10 hours (SmFeAsO) and 15 hours (SmFeAsO0.85F0.15 ) for each temperature. The purely nuclear patterns at 10 K (figure 1a) were fitted to establish scale factors, lattice parameters and the instrument profile function. These were then fixed while the difference patterns (1.6 K−10 K) were fitted to obtain the magnetic structure. All refinements of the neutron diffraction patterns employed the FullProf suite [5, 6].
The samarium moments were found to order antiferromagnetically along the c−axis in a G-mode which has a + − + − moment sequence. This structure corresponds to the Cm'm'a' group. Figure 2a shows a representation of the derived magnetic structure of SmFeAsO at 1.6 K. Fitting the section of the diffraction pattern shown in figure 1b yields a samarium moment of 0.60(3) µB for SmFeAsO at 1.6 K.
A similar analysis of the SmFeAsO0.85 F0.15 data shown in figure 1d yields a closely related magnetic structure (Shubnikov magnetic space group: P4/n'm'm') and a Sm moment of 0.53(3) µB.
The most significant aspect of the pattern shown in figure 1d is not that SmFeAsO and SmFeAsO0.85F0.15 adopt closely related magnetic structures, but rather, that the samarium moments are magnetically ordered in a superconducting sample (this sample exhibits a Tc of 53.5 K) and that the samarium moments are essentially the same in both compounds. This provides direct confirmation that antiferromagnetic order and superconductivity co-exist in the SmFeAsO/F system [7].
We will be extending this project to the GdFeAsO system which should be easier to work with as while gadolinium has a much higher absorption cross-section it also has a larger moment, making the magnetic signal much easier to see.
High-intensity two-axis diffractometer D20
[1][2][3]
[4][5][6][7]
M.D. Lumsden and A.D. Christianson, J. Phys. Condens. Matter 22 (2010) 203203L. Ding, C. He, J.K. Dong, T. Wu, R.H. Liu, X.H. Chen, and S.Y. Li, Phys. Rev. B 77 (2008) 180510(R)
A.J. Drew, F.L. Pratt, T. Lancaster, S.J. Blundell, P.J. Baker, R.H. Liu, G. Wu, X.H. Chen, I. Watanabe, V.K. Malik,et al., Phys. Rev. Lett. 101 (2008) 097010
D.H. Ryan and L.M.D. Cranswick, J. Appl. Cryst. 41 (2008) 198J. Rodríguez-Carvajal, Physica B 192 (1993) 55
T. Roisnel and J. Rodríguez-Carvajal, Mater. Sci. Forum 378-81 (2001) 118D.H. Ryan, J.M. Cadogan, C. Ritter, F. Canepa, A. Palenzona and M. Putti, Phys. Rev. B80 (2009) 220503(R)
REFERENCES
ILL ANNUAL REPORT 2010 017
Figure 2: (a) The samarium magnetic structure of SmFeAsO at 1.6 K.The layered nature of both the chemical and magnetic structuresis emphasised by showing two unit cells in the b direction. (b) A projection of the magnetic structure onto the basal plane shows the relationship between the magnetic structures of SmFeAsOand SmFeAsO0.85 F0.15 at 1.6 K. The black discs mark the samarium atoms on the z = 0.137 plane that have their moments pointing “up”,while the green discs denote samarium atoms on the z plane that have their moments pointing “down”. Four unit cells of the smaller (tetragonal, P4/n'm'm') form of SmFeAsO0.85 F0.15 each containing two samarium atoms (one each of black and green) are shown by the magenta lines, while the relationship to the larger (orthorhombic, Cm'm'a') cell of SmFeAsO that contains four samarium atoms is shown by the grey lines.Note: The orthorhombic basal lattice parameters differ by only0.7 % and cannot be distinguished here.
b
c
FeAs
Sm
a
Sm'(z=0.137)
Sm'(z=10.137)a
b
b
a
O
Saturday, April 26, 14
Partner(Day(Belgium
February(2014
Neutrons(are(special
4
• charge neutral: deeply pene-trating ... except for some isotopes
• nuclear interaction: cross section depending on isotope (not Z), sensitive to light elements.
• spin S = 1/2: probing magnetism
• unstable n → p + e + νe with life time τ ~ 900s , I = I0 e- t/τ
• mass: n ~p; thermal energies result in non-relativistic velocities. E = 293 K = 25 meV, v = 2196 m/s , λ = 1.8 Å
! Catalyzes the reduction of glucose to sorbitol, the first step in the alternative ‘polyol pathway’ of glucose metabolism
! Highest resolution X-ray structure for a medium-sized protein (36kDa) ! Overall more than half (54%) the H-atoms were seen, while in the active-site 77%
of H-atoms were visible ! Some of the key H-atoms were not seen due to their mobility (high B-factors) hence
the protonation states of key active-site residues were unknown
Tertiary structure of hAR
Active-site region of hAR
Plot of %visibility of H-atoms in hAR vs B-factor of bonded atom
Blakeley et al
E. Ressouche - Ecole Neutrons et magnétisme – JDN 20 (18 - 22 mai 2012)
EXEMPLE : TPV FREE RADICAL • TPV : free radical made of C (green), N (blue) and H (yellow). Carries a spin !
Where is the spin ?
MAGNETISMSCIENTIFIC HIGHLIGHTS
Coexistence of long-ranged magnetic orderand superconductivity in the pnictidesuperconductor SmFeAsO1− xFx (x = 0, 0.15)
6000 barns, nearly 2.5 times that of cadmium) yields a 1/e thickness for SmFeAsO of about 80 mg/cm2, precluding the use of conventional sample holders.
We used a recently developed large-area single-crystal flat-plate sample holder [4] to place about 1.6 g of material in the neutron beam. The scattering measurements were carried out at a wavelength of 2.417 Å on the D20 thermal powder diffractometer at the ILL. For each sample, data sets were obtained at 1.6 K and 10.0 K with counting times of 10 hours (SmFeAsO) and 15 hours (SmFeAsO0.85F0.15 ) for each temperature. The purely nuclear patterns at 10 K (figure 1a) were fitted to establish scale factors, lattice parameters and the instrument profile function. These were then fixed while the difference patterns (1.6 K−10 K) were fitted to obtain the magnetic structure. All refinements of the neutron diffraction patterns employed the FullProf suite [5, 6].
The samarium moments were found to order antiferromagnetically along the c−axis in a G-mode which has a + − + − moment sequence. This structure corresponds to the Cm'm'a' group. Figure 2a shows a representation of the derived magnetic structure of SmFeAsO at 1.6 K. Fitting the section of the diffraction pattern shown in figure 1b yields a samarium moment of 0.60(3) µB for SmFeAsO at 1.6 K.
A similar analysis of the SmFeAsO0.85 F0.15 data shown in figure 1d yields a closely related magnetic structure (Shubnikov magnetic space group: P4/n'm'm') and a Sm moment of 0.53(3) µB.
The most significant aspect of the pattern shown in figure 1d is not that SmFeAsO and SmFeAsO0.85F0.15 adopt closely related magnetic structures, but rather, that the samarium moments are magnetically ordered in a superconducting sample (this sample exhibits a Tc of 53.5 K) and that the samarium moments are essentially the same in both compounds. This provides direct confirmation that antiferromagnetic order and superconductivity co-exist in the SmFeAsO/F system [7].
We will be extending this project to the GdFeAsO system which should be easier to work with as while gadolinium has a much higher absorption cross-section it also has a larger moment, making the magnetic signal much easier to see.
High-intensity two-axis diffractometer D20
[1][2][3]
[4][5][6][7]
M.D. Lumsden and A.D. Christianson, J. Phys. Condens. Matter 22 (2010) 203203L. Ding, C. He, J.K. Dong, T. Wu, R.H. Liu, X.H. Chen, and S.Y. Li, Phys. Rev. B 77 (2008) 180510(R)
A.J. Drew, F.L. Pratt, T. Lancaster, S.J. Blundell, P.J. Baker, R.H. Liu, G. Wu, X.H. Chen, I. Watanabe, V.K. Malik,et al., Phys. Rev. Lett. 101 (2008) 097010
D.H. Ryan and L.M.D. Cranswick, J. Appl. Cryst. 41 (2008) 198J. Rodríguez-Carvajal, Physica B 192 (1993) 55
T. Roisnel and J. Rodríguez-Carvajal, Mater. Sci. Forum 378-81 (2001) 118D.H. Ryan, J.M. Cadogan, C. Ritter, F. Canepa, A. Palenzona and M. Putti, Phys. Rev. B80 (2009) 220503(R)
REFERENCES
ILL ANNUAL REPORT 2010 017
Figure 2: (a) The samarium magnetic structure of SmFeAsO at 1.6 K.The layered nature of both the chemical and magnetic structuresis emphasised by showing two unit cells in the b direction. (b) A projection of the magnetic structure onto the basal plane shows the relationship between the magnetic structures of SmFeAsOand SmFeAsO0.85 F0.15 at 1.6 K. The black discs mark the samarium atoms on the z = 0.137 plane that have their moments pointing “up”,while the green discs denote samarium atoms on the z plane that have their moments pointing “down”. Four unit cells of the smaller (tetragonal, P4/n'm'm') form of SmFeAsO0.85 F0.15 each containing two samarium atoms (one each of black and green) are shown by the magenta lines, while the relationship to the larger (orthorhombic, Cm'm'a') cell of SmFeAsO that contains four samarium atoms is shown by the grey lines.Note: The orthorhombic basal lattice parameters differ by only0.7 % and cannot be distinguished here.
b
c
FeAs
Sm
a
Sm'(z=0.137)
Sm'(z=10.137)a
b
b
a
O
Saturday, April 26, 14
WHEREARETHEATOMS
ANDWHATDOTHEYDO?
LengthandEnergyScales
Partner(Day(Belgium
February(2014
Length(and(Energy(Scales
5
4
Figure 2.1: Using neutrons and complementary techniques to explore di↵erent length and time scales. Thehorizontal axes indicate real and reciprocal length scales, while the vertical axes refer to time and energyscales. Scientific areas falling within di↵erent length and time scales are indicated along the edges.Theexperimentally accessible areas of the various neutron-based techniques available at ESS are shown aspolygons in strong colours. Those techniques that are sensitive to both time and length scales are rep-resented above the main horizontal axis; those that measure only length-scales below. In addition to theneutron-based techniques covered by ESS, the analogous areas for a selection of complementary experi-mental techniques are shown in grey. Areas labelled “Hot Neutrons” refer to neutron-based techniqueswhich will not be available at ESS.
dynamics in parallel, and in the purely structural methods found below the horizontal axis.
Techniques are often complementary rather than competitive when their temporal and spatial scalesoverlap, because spatial and temporal needs are not the sole determinants of usefulness. Di↵erent probesaccess di↵erent kinds of information, so the methods of Figure 2.1 are often used in combination, unleashingpowerful synergies. The particular strengths of neutrons include sensitivity to light elements such ashydrogen, the ability to distinguish between di↵erent elements, the non-destructiveness of the beam interms of sample integrity, the power to probe magnetic structure, and the capability to penetrate manymaterials, making possible the investigation of samples in a wide range of relevant sample environmentset-ups that would stop other forms of radiation. These strengths are discussed further in Section 2.2.A combination of di↵erent approaches and techniques is necessary to answer many scientific questions.Moreover, the continuously evolving landscape of available tools drives the continuing need to try andtest new combinations of experimental techniques. Multi-probe experiments that combine di↵erent probetechniques on the same site are becoming increasingly possible – for example, using both Raman andneutron scattering. There are many examples of combined studies.
Studies of polymer relaxation processes that exploit neutron spin-echo methods, light scattering,
Saturday, April 26, 14
France
GermanyUnited
Kingdom
IT
CH
ES
PL+CZ+A
T
SE+DK
NL+BE other
UserCommunitybasedonpublications
18
North
America
Australia
Asia
Europe
Russia
EuropeanCommunity
5000- 6000researchers
2000publicationsperyear
data:ESFRI,KFN
Facility-basedSurveyonNeutronUsers
1
NeutronUsersinEurope:Facility-BasedInsightsandScientificTrends
11
Takingintoconsiderationthesizeoftheiruserbase,aswellasthenumberofinstrumentsandmethodsavailable,theneutronsourcesparticipatingintheBrightnESSsurveyweredividedintothreeCategories:
• CategoryA:Big-sizedfacilities:NeutronsourcesinthisCategoryhavealargeuserbasecomprisingof450–1600uniqueusers.PrincipalinvestigatorswhocarryoutresearchatthesefacilitiesareaffiliatedwithinstitutesbasedinavarietyofcountriesinandoutsideEurope.Thefacilitieshavebetween 20-37 instruments deployable over 8-10 different experimental methods. NeutronsourcesinCategoryAincludeISIS,ILL,MLZ-FRMII,LLB,andSINQ.
• CategoryB:Medium-sizedfacilities:NeutronsourcesinthisCategoryhaveamedium-sizeduserbasecomprisingof50–350uniqueusers.Principalinvestigatorswhocarryoutresearchatthesefacilitiesareaffiliatedwithinstitutesbasedinavarietyofcountries inandoutsideEurope.Thefacilitieshavebetween8-15 instrumentsdeployableover7-9differentexperimentalmethods.NeutronsourcesinCategoryBincludeBERII,BNC,andNPL.
• Category C: Small-sized facilities: Neutron sources in this Category have a small user basecomprisingofupto50uniqueusers.ThegroupofprincipalinvestigatorswhocarryoutresearchatthesefacilitiesislessinternationalthanthatoffacilitiesinCategoryAandB.TheinstitutestheyareaffiliatedwitharebasedinalimitednumberofmostlyEuropeancountries.Thefacilitieshavebetween1-9instrumentsdeployableover1-5differentexperimentalmethods.NeutronsourcesinCategoryCincludeTRIGAJGU,JEEPII,TRIGAJSI,RPI,ATI,MARIA,andRID.
Facility Numberof
uniqueusers
Numberofinstruments*
Numberofexperiments/year
Power
Thermalneutronflux
at1,5Å(neutron/cm2s)
Operationaldays/year
Big-Sized
Facilities
ISIS 1580 31/31 850 200kW 4.5x1015(peak) 150
ILL 1433 32/37 848 58.3MW 1.5x1015 200
MLZFRMII 965 26/26 832 20MW 8x1014 240
LLB 637 20/23 403 14MW 3x1014 120
SINQ 477 13/20 485 1MW 4.1x1014 195
Medium-Sized
Facilities
BERII 302 13/17*** 201 10MW 2x1014 200
BNC 145 15/15 127 10MW 2.1x1014 120
NPL 54 8/8 30 10MW 1x1014 189
Small-Sized
Facilities
TRIGAJGU 44 4/4 9 100kW 1x1012 200
JEEPII 43 5/6 65 2MW 3x1013 200
TRIGAJSI 41 8/8 ** 250kW 5x1012 150
RPI 28 0/1 10 1MW 1x1013 150
ATI 15 5/5 6 250kW 5x1012 200
MARIA 13 4/6 46 30MW 1x1014 180
RID**** 0 9/9 ** 2MW 3x1012 200
*Numberofinstrumentsavailabletoexternalusers/totalnumberofinstruments.**Facilitycarriesoutexperimentsusingnon-scatteringmethodsonly.***From2016onwards:10instrumentsinuserservice.****RIDisnotauserfacilityanddoesnotrunanyuserprogram.
Facility-basedSurveyonNeutronUsers
19
NumberofPrincipalInvestigatorsPerCountryFacilities participating in the surveywere asked to provide the number of principal investigators (firstproposer) fromcountries inEuropewhohave submittedproposalsorperformedexperimentsat theirrespective facility, and also to indicate how many principal investigators come from non-Europeancountries.Thenationalityofprincipal investigators isdeterminedbythehomecountryof the institutetheyareaffiliatedwith.TheBrightnESS surveydidnot inquireaboutthenationalityofallusersduetotechnicalliminations.AccordingtodatacollectedintheBrightnESSsurvey,thetotalnumberofPIswhocarriedoutresearchatEuropeanneutronsourcesinasinglecalendaryearis3559.Thisnumberisapproximately1,6timessmallerthanthenumberofusers(5777).Outofthese,3152conductedresearchatfacilitiesinCategoryA.Thisrepresents89%ofallactivePIs inEurope.Therewere332PIsat facilities inCategoryB,and75PIsatfacilitiesinCategoryC.ThedistributionofPIsacrossthethreedifferentCategoriesofneutronsourcesisdisplayedinfigures2.13and2.14.Europeancountries,whicharenotdisplayedinthesetwofigures,haveless than 10 PIs and includeBelgium, Slovakia,Greece, Finland, Ireland, Estonia, Luxembourg, Turkey,Croatia,Latvia,MoldovaandSerbia.TherespectivenumberofPIsforeachofthesecountriesispresentedinfigure2.12.ThenationaldistributionofPIsatneutronsourcesinCategoryAiscomparabletotheoveralldistributionofPIsattheEuropeanlevel.ThehighestnumberofPIsatfacilitiesinCategoryAcomesfromGermany(939),theUnitedKingdom(688),andFrance(510).ThesethreecountrieshavethelargestnumberofPIsinEurope.ThefacilitiesinCategoryAhostasignificantnumber(350)ofnon-EuropeanPIs.Thisrepresents90%ofallnon-EuropeanPIswhoconducttheirresearchatneutronsourcesinEurope.ThenationaldistributionofPIsatneutronsourcesinCategoryBisalsobroad.ThehighestnumberofPIsin this group comes fromGermany (101), theCzechRepublic (40), andRussia (28).Mid-sizedneutronsourcesalsohost36PIsfromnon-Europeancountries.CategoryChasalessinternationaldistributionofPIs.ThehighestnumberofPIsinthisgroupcomesfromGermany(15),Norway(12),Poland(10),andPortugal(10).Fig2.12Europe:Totalnumberofprincipalinvestigatorspercountry
1055
705
524
179118 91 74 60 58 53 44 30 25 23 21 19 17 14 10 9 9 6 5 5 4 4 3 2 1 1 1
389
0
200
400
600
800
1000
1200
Germ
any
Unite
dKingdo
mFrance
Switzerland
Italy
Swed
enSpain
CzechRe
public
Denm
ark
Russia
Poland
Hungary
Portugal
Nethe
rland
sAu
stria
Norway
Romania
Bulgaria
Sloven
iaBe
lgium
Slovakia
Greece
Finland
Ireland
Estonia
Luxembo
urg
Turkey
Croatia
Latvia
Moldo
vaSerbia
Non
-Europ
ean
Total:3559
1
NeutronUsersinEurope:Facility-BasedInsightsandScientificTrends
Facility-basedSurveyonNeutronUsers
21
1
NeutronUsersinEurope:Facility-BasedInsightsandScientificTrends
32
ScienceFieldsandExperimentsFigure 3.16 showswhat percentage of experiments is dedicated to each science field.The graphwascreated by correlating data from figure 3.15 (science fields per method expressed as percentage ofexperiments) with figure 3.5 (number of experiments carried out per year with each method). It isimportanttonotethatparticlephysicsisincludedinthephysicscategoryinfigure3.16.Datainthepiechartbelowconfirmsignificantdominanceofexperimentsrelatedtophysics(38%)andmaterials(19%),whicharecloselyfollowedbychemistry(15%).Asimilarpercentageofexperimentsisdedicatedtosoftcondensedmatter (9%), life science (8%), andearthandgeo sciencesandheritage conservation (7%).Engineeringexperimentsrepresent3%ofallexperimentscarriedoutatneutronsourcesinEurope.Fig3.16Europe:Sciencefieldsexpressedaspercentageofexperiments
UseofMethodsFigure 3.17 shows percentual distribution of beam days across methods and is based on data fromfigure3.5.(22526beamdaysintotal).Thenumberofbeamdaysusedfornon-scatteringmethods(1872)isnotincluded.Thedistributionshowsthatsmallangleneutronscatteringandpowder/liquiddiffractioneach occupy 16% of beam days. Looking at instrument classes, the chart shows that diffraction(powder/liquiddiffraction,singlecrystaldiffractionandengineeringdiffraction)usesapproximatelyonethirdofbeamdays(32%).Large-scalestructure(smallangleneutronscatteringandreflectometry)followscloselybehindwith28%.Spectroscopy(high-resolutionspectroscopy,cold/termaltripleaxisspectroscopy,cold/thermaltime-of-flightspectroscopy,andvibrationalspectroscopy)uses24%ofbeamdays.Imaginguses8%andnuclearandparticlephysicsuses7%ofbeamdaysatneutronsourcesinEurope.Fig3.17Europe:Useofmethodsexpressedaspercentageofbeamdays
38%
19%
15%
9%
8%
3%7%
1%
PhysicsMaterialsChemistrySoftcondensedmatterLifescienceEngineeringEarthandgeosciences,heritageconservationOther
16%
12%
16%
10%6%
8%
6%
11%
7%
1% 7% SmallAngleNeutronScatteringReflectometryPowder/LiquidDiffractionSingleCrystalDiffractionEngineeringDiffractionImagingHigh-ResolutionSpectroscopyCold/ThermalTripleAxisSpectroscopyCold/ThermalTime-of-FlightSpectroscopyVibrationalSpectroscopyNuclearandParticlePhysics
32
ScienceFieldsandExperimentsFigure 3.16 showswhat percentage of experiments is dedicated to each science field.The graphwascreated by correlating data from figure 3.15 (science fields per method expressed as percentage ofexperiments) with figure 3.5 (number of experiments carried out per year with each method). It isimportanttonotethatparticlephysicsisincludedinthephysicscategoryinfigure3.16.Datainthepiechartbelowconfirmsignificantdominanceofexperimentsrelatedtophysics(38%)andmaterials(19%),whicharecloselyfollowedbychemistry(15%).Asimilarpercentageofexperimentsisdedicatedtosoftcondensedmatter (9%), life science (8%), andearthandgeo sciencesandheritage conservation (7%).Engineeringexperimentsrepresent3%ofallexperimentscarriedoutatneutronsourcesinEurope.Fig3.16Europe:Sciencefieldsexpressedaspercentageofexperiments
UseofMethodsFigure 3.17 shows percentual distribution of beam days across methods and is based on data fromfigure3.5.(22526beamdaysintotal).Thenumberofbeamdaysusedfornon-scatteringmethods(1872)isnotincluded.Thedistributionshowsthatsmallangleneutronscatteringandpowder/liquiddiffractioneach occupy 16% of beam days. Looking at instrument classes, the chart shows that diffraction(powder/liquiddiffraction,singlecrystaldiffractionandengineeringdiffraction)usesapproximatelyonethirdofbeamdays(32%).Large-scalestructure(smallangleneutronscatteringandreflectometry)followscloselybehindwith28%.Spectroscopy(high-resolutionspectroscopy,cold/termaltripleaxisspectroscopy,cold/thermaltime-of-flightspectroscopy,andvibrationalspectroscopy)uses24%ofbeamdays.Imaginguses8%andnuclearandparticlephysicsuses7%ofbeamdaysatneutronsourcesinEurope.Fig3.17Europe:Useofmethodsexpressedaspercentageofbeamdays
38%
19%
15%
9%
8%
3%7%
1%
PhysicsMaterialsChemistrySoftcondensedmatterLifescienceEngineeringEarthandgeosciences,heritageconservationOther
16%
12%
16%
10%6%
8%
6%
11%
7%
1% 7% SmallAngleNeutronScatteringReflectometryPowder/LiquidDiffractionSingleCrystalDiffractionEngineeringDiffractionImagingHigh-ResolutionSpectroscopyCold/ThermalTripleAxisSpectroscopyCold/ThermalTime-of-FlightSpectroscopyVibrationalSpectroscopyNuclearandParticlePhysics
Neutronusepersciencetopic
22
structure+
chemistry
materials
magnetism
Liquids+glasses
softmatter
LifeScience
nuclear
physics
applied+
instrumental
theory
data:ILL
Facility-basedSurveyonNeutronUsers
23
1
NeutronUsersinEurope:Facility-BasedInsightsandScientificTrends
32
ScienceFieldsandExperimentsFigure 3.16 showswhat percentage of experiments is dedicated to each science field.The graphwascreated by correlating data from figure 3.15 (science fields per method expressed as percentage ofexperiments) with figure 3.5 (number of experiments carried out per year with each method). It isimportanttonotethatparticlephysicsisincludedinthephysicscategoryinfigure3.16.Datainthepiechartbelowconfirmsignificantdominanceofexperimentsrelatedtophysics(38%)andmaterials(19%),whicharecloselyfollowedbychemistry(15%).Asimilarpercentageofexperimentsisdedicatedtosoftcondensedmatter (9%), life science (8%), andearthandgeo sciencesandheritage conservation (7%).Engineeringexperimentsrepresent3%ofallexperimentscarriedoutatneutronsourcesinEurope.Fig3.16Europe:Sciencefieldsexpressedaspercentageofexperiments
UseofMethodsFigure 3.17 shows percentual distribution of beam days across methods and is based on data fromfigure3.5.(22526beamdaysintotal).Thenumberofbeamdaysusedfornon-scatteringmethods(1872)isnotincluded.Thedistributionshowsthatsmallangleneutronscatteringandpowder/liquiddiffractioneach occupy 16% of beam days. Looking at instrument classes, the chart shows that diffraction(powder/liquiddiffraction,singlecrystaldiffractionandengineeringdiffraction)usesapproximatelyonethirdofbeamdays(32%).Large-scalestructure(smallangleneutronscatteringandreflectometry)followscloselybehindwith28%.Spectroscopy(high-resolutionspectroscopy,cold/termaltripleaxisspectroscopy,cold/thermaltime-of-flightspectroscopy,andvibrationalspectroscopy)uses24%ofbeamdays.Imaginguses8%andnuclearandparticlephysicsuses7%ofbeamdaysatneutronsourcesinEurope.Fig3.17Europe:Useofmethodsexpressedaspercentageofbeamdays
38%
19%
15%
9%
8%
3%7%
1%
PhysicsMaterialsChemistrySoftcondensedmatterLifescienceEngineeringEarthandgeosciences,heritageconservationOther
16%
12%
16%
10%6%
8%
6%
11%
7%
1% 7% SmallAngleNeutronScatteringReflectometryPowder/LiquidDiffractionSingleCrystalDiffractionEngineeringDiffractionImagingHigh-ResolutionSpectroscopyCold/ThermalTripleAxisSpectroscopyCold/ThermalTime-of-FlightSpectroscopyVibrationalSpectroscopyNuclearandParticlePhysics
32
ScienceFieldsandExperimentsFigure 3.16 showswhat percentage of experiments is dedicated to each science field.The graphwascreated by correlating data from figure 3.15 (science fields per method expressed as percentage ofexperiments) with figure 3.5 (number of experiments carried out per year with each method). It isimportanttonotethatparticlephysicsisincludedinthephysicscategoryinfigure3.16.Datainthepiechartbelowconfirmsignificantdominanceofexperimentsrelatedtophysics(38%)andmaterials(19%),whicharecloselyfollowedbychemistry(15%).Asimilarpercentageofexperimentsisdedicatedtosoftcondensedmatter (9%), life science (8%), andearthandgeo sciencesandheritage conservation (7%).Engineeringexperimentsrepresent3%ofallexperimentscarriedoutatneutronsourcesinEurope.Fig3.16Europe:Sciencefieldsexpressedaspercentageofexperiments
UseofMethodsFigure 3.17 shows percentual distribution of beam days across methods and is based on data fromfigure3.5.(22526beamdaysintotal).Thenumberofbeamdaysusedfornon-scatteringmethods(1872)isnotincluded.Thedistributionshowsthatsmallangleneutronscatteringandpowder/liquiddiffractioneach occupy 16% of beam days. Looking at instrument classes, the chart shows that diffraction(powder/liquiddiffraction,singlecrystaldiffractionandengineeringdiffraction)usesapproximatelyonethirdofbeamdays(32%).Large-scalestructure(smallangleneutronscatteringandreflectometry)followscloselybehindwith28%.Spectroscopy(high-resolutionspectroscopy,cold/termaltripleaxisspectroscopy,cold/thermaltime-of-flightspectroscopy,andvibrationalspectroscopy)uses24%ofbeamdays.Imaginguses8%andnuclearandparticlephysicsuses7%ofbeamdaysatneutronsourcesinEurope.Fig3.17Europe:Useofmethodsexpressedaspercentageofbeamdays
38%
19%
15%
9%
8%
3%7%
1%
PhysicsMaterialsChemistrySoftcondensedmatterLifescienceEngineeringEarthandgeosciences,heritageconservationOther
16%
12%
16%
10%6%
8%
6%
11%
7%
1% 7% SmallAngleNeutronScatteringReflectometryPowder/LiquidDiffractionSingleCrystalDiffractionEngineeringDiffractionImagingHigh-ResolutionSpectroscopyCold/ThermalTripleAxisSpectroscopyCold/ThermalTime-of-FlightSpectroscopyVibrationalSpectroscopyNuclearandParticlePhysics
Neutronscience:Fundamentalscience
withapplications
ERICstatutesandaccesspolicy
2510/24/17
Datapolicyinplace– nowworkingonaccesspolicy
Earlyscienceandstartingtheuserprogram
2020Firstneutrons
2021Instrumenthotcommissioning:
Instrumentteamstodemonstratetheprowessofinstrumentsby
performingearlyexperiments.
1. Criticalperformanceverification.
2. Demonstratescientificperformance.
2023UserProgramopens:
• reliabilityiskeytodeliverscience.
• Theentireorganizationneedtofocusonthis.
26
UserProgrammeandSampleManagement
• AverageExperimentDuration:3 days
• Users:~60non-local,~30local,~30longterm
• UserOfficeinterfaceswithESHonusertraining,
dosimetry,accesstosupervisedareas.
• Travel/accommodationreimbursementupto2
non-localusersperexperiment;duration+1day.
27User Programme ArnoHiess,November2016ESSOperationsCost Review10/24/17
ReferencefacilityILL ESS
guesthouse 30€ 70€
lunch/dinner 15€ 20€
travel(split overduration+1d) 25€(150€over6days) 60€(240€over4days)
non-localuserson experiment 1.5x 1.8x
TOTALperday 100€/day 270€/day
0
2000
4000
6000
8000
10000Non-local
userdays
ScientificCoordination&UserOffice–
Scope,RequirementsandFunction
RequirementsandFunctions:
• Enableuseraccessbasedonscientificmeritandothersincl.industrialaccess• Ensurecommunityinteractionand‘industryasuser’support• Providetrainingactivitiesandcollaborativeindustryactions.• Internalandcollaborativescientificactivities;supportyoungresearchers
Scope,FeaturesandQualityObjectives:
• Userprogramincl.proposals,feasibility,scheduling,uservisits,reporting• Schedulingminimizinglosses;highavailability• Usermeetings,sciencesymposia,trainingactivities• Organizingaccessforandoutreachtoindustry;industryspecificaccesswithotherhubs• ScienceFocusTeams:scientificseminarsandevents;PhDprogram
ScopeExclusions,InterfacesandResponsibilities:
• SCUOsoftwaremaintenance [DMSC]• Externalrelationsincl.ILOnetwork,legalsupport,siteaccess [ADMIN]• Usersafetytraining [ESH]• Individualandcollaborativescientificprojects [NID]
28
ScientificCoordinationandUserOffice–
Labor,Resources,Costs,Comparison
CostandResources: 2737 €
1FTEscientist,2FTEassistants useroffice2FTEscientists,1FTEassistant industryaccess,communityinteraction,SFTs,PhDprogram
incl.trainingactivities,collaborativeindustryactions.FinancialcompensationforscientistsdoingSFTcoordination;synergiesw.MAXIVincluded.Userreimbursement(270€perdayforaverageduration+1day)fortravelandaccommodation.
Benchmarking,Strategy,Experience:
ILL: collegesecretary(SFTcoordination)byinstrumentscientistsusingbonussystem.MAXIV: wellintegratedapproachbetween‘industryasuser’team,userofficeandcomm.
2910/24/17
ESS ILL ESRF ISIS SNS/HFIR
6 FTESc.Coord.
andUser Office
4.5 FTE
UserOffice
4FTE
UserOffice
7FTE
UserService
WBS Personnel Operationsk€/y Labork€/y MinorCptl k€/y TotalCostk€/y
20.4.2.2 3FTEscientists
3FTEassistants
0380scuo ops
1267usr remb
0550PhDprg
540 0 2737
ScientificCoordination- Fosteringascientific
cultureatESSasaplatformforexcellence
ScienceFocusTeams - ‘Feelathome’with
• Strengthenscientificexchangeviaseminarsandscienceday.
• Ensurescientificstudentsupervisionandtheir(financial)support.• Adviseonoutreachactivitiesandscientificpriorities.
• Prioritizeconferencecoverageandsponsoring.
• Support(emerging)communitiesandattract(additional)scientificcapabilities.
o LifeScienceandSoftCondensedMatterResearch Zoëo ChemistryofMaterials,MagneticandElectronicPhenomena Alexo EngineeringMaterials,Geosciences,Archeology,Heritage
ConservationandFastNeutronApplications Robino NuclearandParticlePhysics Valentina
ScientificOutreach
• SFTseminarsatESSandScienceDay
• ScienceSymposiaandConferenceSupport
• Generalpartneroutreachandindustry-relatedoutreach30
ESS,MAXIVandScienceVillageScandinavia
31
MAXIV
Worldleadingin
brilliance
Nationallab,hosted
byLundUniversity.14
beamlines.2016.
ScienceVillage
Scandinavia,SVS
Ownedbythe
RegionofSkåne,
theCityofLund
andLund
University.18ha.
2019.
31
Ongoingcollaboration
Userofficesoftware
Datamanagement
Deuteration /Xtalisation
Heliummanagement
Technology
Science…
• ESSwillprovideworldleadingopportunitiesforresearch
usingneutrons
• Useroperationwith8instrumentsisplannedfor2023
• VicinitytoMAXIVandcreationofSVSprovidesunique
opportunitiesforcollaboration
• StrongEuropeanScientificCommunityismobilizedand....
• …wearebuildingESStogethernowtomeetourneeds.
Conclusions