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Mechanical and Transport Properties Recommendations

Mechanical and Transport Properties Recommendations. Techniques (in-situ, time-resolved) Laue µ-diffraction High Energy Diffraction Microscopy (3DXRD) Advanced imaging (phase contrast, tomography) Coherent diffraction … Thermo-mechanical loading capabilities

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Mechanical and Transport Properties Recommendations

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  1. Mechanical and Transport PropertiesRecommendations • Techniques (in-situ, time-resolved) • Laue µ-diffraction • High Energy Diffraction Microscopy (3DXRD) • Advanced imaging (phase contrast, tomography) • Coherent diffraction … • Thermo-mechanical loading capabilities • Temperature control (resistive heating, laser, cryostat) • Triaxial load control (multi-axis press) • Shear loading (r-DAC, r-Drickamer) • Hardware • Bigger, faster, high-resolution area detectors • Spectroscopy techniques • Software • Big data handling • Automated analysis • Forward modeling…

  2. Mechanical and Transport Properties:Important Issues • Superhard and ultratough materials • Energy-related materials (storage, conversion and transport) • Strength, stiffness and equation of state • Deformation mechanisms • Phase transitions • Deep Earth properties

  3. electronic, ionic, & molecular transports in crystal structure  tin oxide SnO2 nanowire Li-ion battery Thermo-mechanical stresses related to electro-chemistry processes Formation of fast ionic channels and alignment of preferred orientation Cathodes! How can high-pressure synchrotron/neutron techniques complement? Technical Challenges How to detect low-Z and high-Z elements?! Contrasts and Different Scale for Low-Resolution and High-Resolution for Bulk Tomography Characterization Scientific Challenges Internal Pressure for Cage-Structure Volume restrains in crystal structures related to Lithium intercalation and hydrogen encapsulation?!

  4. Challenges in understanding the material properties via in-situ synchrotron x-ray experiments EuFe2As2 Eu2+ Eu3+ Superconductivity Mechanisms at low-temperature/high-pressure Oxides -to- Fe based Valence – XAS, Local Spin – XES, Structure – XRD, Magnetic Ordering – NFS/Mossbauer Technical: Data beyond 10 GPa with PE cell? Scientific: How can we get thermal conductivity for melts? Ionic conductivity at HP? Para- (ambient) LaFeAsO Suppression of magnetic ordering Anti- (low-T) No-ordering (high-P) Scientific: Whether charge density wave (CDW) can be probed in-situ at LT/HP along with transport? Technical: Phonon DOS at variable P-T possible?

  5. 3500 K 1000 K 140 GPa 120 GPa MgSiO3 Miyagi, Kanitpanyacharoen, Kaercher, Lee, Wenk. Science 2010 Perovskite Post-perovskite Wenk, Cottaar, Tome, Romanowicz and McNamara. EPSL 2011

  6. Laue µ-Diffraction can provide new insights into mechanical response in situ • What we get: spatially resolved measurements (down to 1µm) of: • Lattice orientation/phase • Deviatoric strain tensor (3-d) • Defect content (dislocations, etc…) • What we need: • K-B mirrors • 90˚ scattering geometry, transparent gaskets • Fast area detectors sample boundary 2D scanning Streaked laue spots from deformed Si – contain information on defects ~65 microns α-Fe phase map at 13.5GPa (ALS)

  7. High Energy Diffraction Microscopy • Bridging the gap between single crystal and powder techniques (3DXRD, HEDM) • We get: • Fully resolved 3-d lattice vectors for up to 1000 domains simultaneously • Full strain tensors • In situ technique ⇒ FAST • We need: • 60-100keV (Laue monochromator) • Large, fast area detectors Observation of Burgers mechanism in Fe phase transition at 1-ID 3D strain tomography

  8. Deformation experiments with DAC Compression experiments with DAC in radial geometry at high pressure (200GPa) and high temperature (3000K) Pressure and stress • Q variation due to stress/elastic properties • Intensity variations due to crystal orientation: Plastic deformation • Determine anisotropic single crystal elastic properties • Identify deformation mechanisms • Phase transitions

  9. Deformation experiments with rotation DAC: Torsion

  10. Expand flexibility for in situ heating with radial DAC ALS HPCAT

  11. What can LVP bring to studies of transport properties at high P and T? 106 The large-volume advantage： -- T (thermal conductivity) -- Absorp. (elem. Diffusion) -- Electrical conductivity -- Stress/strain (rheology, Q) -- Ultrasound (Brittle failure) -- etc. LVP 103 100 Sample Volume， mm3 10-3 DAC 10-6 10-9 150 0 50 100 HPCAT, Oct, 2012 Pressure, GPa

  12. Conceptual design for 6-cylinder true tri-axial loading Designed for neutron But can be modified for synchrotron applications

  13. Rotational Drickamer for tomography at GSECARS HPCAT, Oct, 2012

  14. Need to investment in development of analysis software • Modular Design, Graphical Interfaces • Rietveld (MAUD) • Diffraction Microscopy (heXRD) • Laue (XMAS, LaueTools) • Tomography (3D, high resolution) • Bottleneck for user community! Big data, automated analysis, forward modeling…

  15. Mechanical and Transport Properties • Suggested Priorities: • Laue microdiffraction, imaging • Temperature control (heating, cryostat) • Time-resolved experiments • Triaxial / rotational loading mechanisms Jon Almer, ANL almer@aps.anl.govJoel Bernier, LLNL bernier2@llnl.govChangfeng Chen, UNLV chen@physics.unlv.eduYan-zhang Ma, Texas Tech y.ma@ttu.eduDmitry Popov, HPCAT dpopov@ciw.eduYanbin Wang, U Chicago wang@cars.uchicago.eduRudy Wenk, UC Berkeley wenk@berkeley.edu Yusheng Zhao, UNLV Yusheng.Zhao@UNLV.EDU

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