Roadshow2014 - presentazione Helmut Schober (4 giugno 2014)
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Transcript of Roadshow2014 - presentazione Helmut Schober (4 giugno 2014)
Revealing hidden informa0on in materials ...
Neutrons for Science, Neutrons for Society
Rome, 4th June 2014
• Uncharged, subatomic par0cles found in atomic nuclei • Approx. mass of neutron, v = 2.2 km/s at RT • Wave-‐par0cle duality, l = 0.18 nm at RT
Nuclear reactor (ILL) Uranium fission reactor
235U + 1n => fission fragments + 2.4 1n + 192.9 MeV
Neutrons
• Uncharged, subatomic par0cles found in atomic nuclei • Approx. mass of neutron, v = 2.2 km/s at RT • Wave-‐par0cle duality, l = 0.18 nm at RT
Neutrons
800MeV accelerator driven source 16n/collision and 20Mev/n Pulsed and broad energy
Spalla3on (ISIS)
Neutrons use mainly the sca8ering approach
Detect change in direc0on and energy. That is it!
Neutrons An ideal probe at the atomic scale
• Like X-‐rays thermal neutrons possess the right wavelengths. • In addi0on neutrons possess the ideal energies for spectroscopy of thermal fluctua0ons.
From 1000 nm" Up to 0.001 nm"
Hot Neutrons"
Cold Neutrons"
5"
Neutrons Neutrons interact with Nuclei
• are sensi0ve to light atoms, par0cularly hydrogen • can exploit isotopic subs0tu0on, especially H/D • ‘see‘ materials differently to X-‐rays, complementary
D
000
H
X -‐ rays
neutrons
Cs Zr Mn S O C Li Cs Zr Mn S O Li
X -‐ rays
neutrons
DNA without H DNA with H
Neutrons Neutrons are a neutral par0cle
• are highly penetra0ng • can be used as non-‐destruc0ve probes, • can be used to study samples in extreme environments
• study microscopic magne0c structures • study magne0c fluctua0ons , and • develop magne0c materials
Neutrons Neutrons have magne0c moment and spin
• formed into polarised beams, • study nuclear (atomic) orienta0on, and • separate coherent from incoherent scadering
Neutrons The neutron itself
• Neutrons for nuclear and par0cle physics • Cold (meV) and ultracold (< 250 neV) neutrons as a tool to study the neutron itself: – Does it have an electric dipole moment ? Predic0on of the standard model that its edm is equivalent to e-‐ and H+ separated by d(Earth)
– How long does it live when free outside the nucleus ?
Jenke et al., Nature Physics 2011, Abele und Rauch, New J. Phys. 2012"
Quantum Bouncers"
The neutron as a very sensitive probe of the gravitational field chasing theories of dark matter and dark energy."
European Photon & Neutron Science Campus
ILL is leading the world of neutron science
since 40 years
ESRF
ILL Neutrons!
X-Rays!
ILL member countries
Germany: 25 % UK: 25 % France: 25 %
Spain Italy Switzerland India Poland CENI (Austria, Czech Republic, Hungary, Slovakia)
TRANSNI (Belgium, Sweden, Denmark)
Europa from its best side."
ILL Community • 500 staff • 4500 users • 1400 proposals • 2000 user visits • 800 experiments • 200 reactor days • 27 instruments • 600 refereed papers
!Italy @ ILL • Italy joins ILL in 1997.
• Italy receives 5-‐6% of ILL beam 0me. • Italy operates 2 CRG’s (BRISP and IN13). • ILL profits from a large number of Italian staff. • Italy is by far the strongest contributor to ILL’s student popula0on.
IN13"
BRISP"
14"
Millennium upgrade A performance gain of 25 for <10% of the running budget The Endurance Program will perpetuate this success
LADI"
IN12"
Transformative capabilities"
D33"
IN16B"
Lagrange"IN12"
IN5"
WASP"
Harwell Science & Innova3on Campus
ISIS – Neutrons and Muons
Diamond –X Rays
Neutrons!
X-Rays!
Muons!
Harwell Science and Innova3on Campus
Diamond
ISIS
~ 1200 users/yr ~450 publica0ons/yr (130 high impact)
~700 experiments/yr 150 days running (50 industry)
World leading exper0se and instrumenta0on in the applica0on of neutrons to condensed mader
science
ISIS Staff 131 invited talks 65 external commidee memberships 37 scien0fic or technical mee0ngs organised 21 visi0ng appointments at universi0es 30 external grants 50 PhD students co-‐supervised
Structure (& morphology): • powder diffractometers • liquid diffractometers • small angle scadering • reflectometers • imaging/tomography Dynamics: • neutron spectrometers (inelas0c & quasi-‐elas0c) • muon spectrometers Others: • support laboratories • irradia0on facility • test facili0es
Target Sta0on 2 – Phase 2 Instruments
IMAT ZOOM LARMOR CHIPIR
Spectroscopy
MAPS LET
MARI MERLIN
HET
Molecular Spectroscopy
IRIS OSIRIS TOSCA VESUVIO
Diffrac0on
HRPD SXD POLARIS GEM WISH PEARL INES
Disordered Materials
SANDALS NIMROD
Engineering
ENGIN-‐X Large Scale Structures
SANS2D OFFSPEC POLREF INTER CRISP SURF LOQ
Muons
EMU MuSR HIFI ARGUS
30 Neutron and Muon
Instruments
Agreements with CNR signed in 1985, renewed in 1990, 1993, 1996, 2002, 2014 Major Science Programme
Italy @ ISIS
Strong Involvement in Instrumenta0on Strong Involvement in technique development
Scien0fic Applica0ons
• Energy/environment • Engineering • Cultural Heritage • Healthcare • Physics • Food Security • Materials
Molecular surgery • Modern chemistry allows us performing physics via spectroscopy
in a nano-lab accessing unprecedented guest-host conditions.
• Neutron spectroscopy can be performed on tiny samples (100 mg) over a large energy range (1 µeV to 200 meV) complementing optic spectroscopy and NMR.
Beduz et al, PNAS 109 (2012) ���12894-12898
Transition is in principle forbidden. Cages deformed?
Ferroelectric phase?
H. Schober - 2014"
Quantum molecular dynamics of H2@C60 A.J. Horsewill (Univ. Nottingham) et al.
m ~ 100 mg
A. J. Horsewill et al., PRB 85, 205440 (2012)
IN4
Cu220 m~100mg t~2h
M. Jimenez
22"
Lagrange"
The successful marriage of chemistry and magnetism
Barker et al. Nature Physics 2012"
(Q-ω) resolved scattering intensity is converted directly into spin dynamics in
time "
Cr8"
0.24 g von Cr8F8[(O2CC(CD3)3]16"
• Modern chemistry allows custom designing molecular magnets.
• Knowing how their magnetic
moments evolve in time would help designing applications.
• Single crystal experiments provide
the desired information."
0.2 ps"
H. Schober - 2014"
Quantum fluctuations in Helium: The quest for the full picture
J. Ollivier 1, J. Bossy 2 , H. Glyde 3 & H. Schober 1
• Single crystal time-of-flight measurements allow determining the full S(Q,w).
• With the help of sophisticated software (Horace, ISIS) you can travel throug 4-dimensional S(Q,w).
H. Schober - 2014"
Understanding crystalline structure: Cubic Ice
W. Kuhs. et al, PNAS 2012"
Cubic
Hexagonal K-layer with local inversion symmetry
H-layer with local mirror symmetry
H. Schober - 2014"
A contribution to climate models
• Exact monitoring of transition dynamics from cubic to hexagonal ice including size and surface quality of crystallites.
• Results constitute important input into models of:
• ice formation (including clathrates),
• radiation balance in the atmosphere,
• chemistry of the atmosphere.
W. Kuhs. et al, PNAS 2012"
H. Schober - 2014"
Harvesting energy from heat Thermoelectric materials
The quest: low thermal conductivity in a good electrical conductor. Solution: Creation of localised “rattling modes” via tri-vacancy clusters in Na0.8CoO2. Castep DFT Calculations
Na0.8CoO2
NaCoO2
IXS"
Voneshen et al. Nature Materials 2013
400x400x20 μm3"
H. Schober - 2014"
Harvesting energy from heat Thermoelectric materials
28"
• Complementarity of inelastic X-ray and neutron data. • IN8 data allow determining phonon lifetime τ of rattling modes. • Simple model permits to calculate thermal conductivity κ from τ. • Rattlers in non-stochiometric Na0.8CoO2 are key for reducing κ. • Road open for designing low-κ materials via vacancy patterns.
Voneshen et al. Nature Materials 2013
35x10x3 mm3"
H. Schober - 2014"
This research was funded by the EPSRC and the ERC and is part of a Collaboration between The Universities of Nottingham, Charles and California, The Institute of Physics ASCR, Berkeley, Universidad Compluense de Madrid, ORNL, STFC and the Hitachi Cambridge Laboratory.
The WISH instrument has given unique informa0on on the structure of a new an0ferromagne0c spintronic material, tetragonal CuMnAs. This material could be used in spintronic Devices to sa0sfy the world’s desire for ever more processing power, at ever diminishing energy costs, in even 0nier devices.
Spinning out the future of our electronic devices
Patterning thin films with light
Him Cheng Wong et al., Advanced Materials (2012)"
� Fullerenes are known to stabilize polymer films, e.g. against dewetting.
� It is found that the effect can be enhanced by irradiation with light. � Using masks this allows patterning of thin films.
H. Schober - 2014"
Patterning thin films with light
Him Cheng Wong et al., Advanced Materials (2012)
� Neutron reflectometry shows homogeneous C60 distribution. � No C60 interface layer is detected. � Light illumination does not change the scattering length profile. ⇒ We are dealing with a bulk effect. Conclusion: Stabilization is due to photo-induced oxidation. "
H. Schober - 2014"
(1) Objec0ve: Improve loading efficiency with IPM addi0ve. 3-‐fold increase in lipid dynamics correlated to 3-‐fold increase in amount of drug released.
(2) Objec0ve: Improve stability with addi0on of chitosan. S0ffening of the lipid molecules, especially the headgroup region.
Lipid-‐complexes as nanovectors for low solubility drug encapsula0on.
Efficacy measured indirectly from dynamics (IRIS Spectrometer)
ISIS, U Parma, ILL [Gerelli et al, Chem Phys 345, 239 (2008)] [Gerelli et al, Soy Mader, 7, 3929 (2011) ]
Enhancing the stability of drug Delivery vectors
Helping drug designers find the right track
Paolo Monini, Cecilia Sgadari, Elena Toschi, Giovanni Barillari & Barbara Ensoli Nature Reviews Cancer 4, 861-875 (November 2004)"
The HIV life cycle"• HIV protease cleaves
peptide bonds in newly synthesized polyproteins at the appropriate sites.
• If its function is inhibited
then the virion cannot develop its infectious property.
• Neutron diffraction helps
improving the design of drugs that do so.
H. Schober - 2014"
Helping drug designers find the right track
• All H(D) atomic positions determined. • This neutron structure suggests that H bonding of the inhibitor to Protease
contributes less to its affinity than was inferred from the X-ray structures, which may be valuable information for the design of new Protease Inhibitors with improved H bonds.
• Concrete avenues are proposed: additional fluorine atom, water displacement etc.
Weber et al. Journal of Medical Chemistry 2013
Protease Inhibitor Aprenavir
LADI-III
H. Schober - 2014"
Structured peaks from as cast bronzes
dendrites
Neutron Metallography at the service of cultural heritage microstructure analysis of ancient bronzes
Composi0onal varia0on / microstrain broadening
strain lines
S. Siano CNR Florence Pioneer of neutron applications in cultural heritage
Intensity varia0on due to texture
worked grains
S. Siano et al., Archaeometry 48 (2006)77
I hope you enjoyed the scenery