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Meeting 2016 TMS Annual Meeting & Exhibition
Symposium Hume-Rothery Award Symposium: Thermodynamics of Materials
Presentation Title Phonon Density of States and Dispersion Relations: Thermodynamics & Elasticity from Inelastic X-Ray Scattering
Author(s) Esen Ercan Alp
On-Site Speaker (Planned) Esen Ercan Alp
Abstract Scope Many measurable thermodynamic and elastic properties of materials partially originate from vibrations of atoms, like specific heat, entropy, free energy, velocity of sound, viscosity, thermal conductivity, Young Modulus, Debye-Waller factor, and elasticity tensor components. In addition to traditional tools like inelastic neutron scattering and Raman & Brillouin spectroscopy, x-rays are also used in a variety of schemes to extract phonon density of states, as well as measure phonon dispersion relations. In the harmonic approximation, many of the thermodynamic properties are additive function of phonon density of states, and hence they can be derived from such measurements. The fact that these experiments can be carried our on micron size samples under extreme temperature and pressure conditions, from nanoclusters or thin layers make the inelastic x-ray scattering techniques suitable for modern materials science and mineral physics. Work supported by U.S. DOE BES DE-AC02-06CH11357, and by COMPRES, NSF EAR 06-49658].
Proceedings Inclusion? Planned: A print-only volume


A Thermodynamic Approach to Predicting Electronic Properties of Molten Systems
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Ab Initio Molecular Dynamics Study of Speciation in AlCl3-ZnCl2-based Network Forming Liquids
Activation Barriers for Polaron Hopping in Phospho-olivines
Charting the Elastic Properties of Crystalline Inorganic Compounds
Comments on Thermodynamic Instability
Elasticity of Metallic Glasses, Crystals, and Glass Forming Liquids
Electromechanical Coupling of Ferroelectric Relaxors Enhanced by Polar-nanoregion Vibrations
Electronic Structure and Phonon Thermodynamics of Fe-Au Alloys
Electronic Transitions upon Compression: From Changes of the Fermi Surface Topology to Crossings of Core Levels
Experimental Studies of Mode-resolved Thermal Phonon Transport Properties
First-principles Modelling of Grain Boundary Phase in Nd-Fe-B Permanent Magnet
First-principles Studies of Strongly Anharmonic Crystalline Solids
Genetic Algorithm Structure Optimization Applied to Defect Clusters and Nanoparticles with Integrated Experimental Data
Harnessing Materials Properties and Data for Accelerated Design
High-throughput Computational Search for Strengthening Precipitates in Alloys
Hydrides and Hydrogen Pipe Diffusion in Palladium: First Principles, Kinetic Monte Carlo, and Neutron Scattering
Inclusion of Phonon-Phonon and Magnon-Phonon Couplings in the Thermodynamic Description of Materials: An Ab Initio Approach
Information is Not Knowledge
Lattice Excitations in Magnetic Alloys: Recent Advances in Ab Initio Modeling of Coupled Spin and Atomic Fluctuations
Mixed-space Approach to Phonons Involving Vibration-Induced Dipole-Dipole Interactions
Non-harmonic Modelling of Materials
Orbitally-driven Giant Phonon Anharmonicity in SnSe
Phonon-Induced Charge Transfer and Electron-Phonon Interaction in FeTi
Phonon Anharmonicity in Silicon from 100 to 1500 K
Phonon Density of States and Dispersion Relations: Thermodynamics & Elasticity from Inelastic X-Ray Scattering
Phonon Dynamics and Vibrational Entropy of bcc Fe at Elevated Temperatures
Phonons and Bonding in Information Storage Phase Change Materials
Reduced Elastic Anisotropy of Cementite at Moderate Temperatures from Nonharmonic Effects
Temperature Dependent Phonon Anharmonicity in Elementary and Martensite Systems
The Origin of Entropy in Materials
The Topology of Fast Li-ion Conductors
Thermodynamic Properties and Vibrational Dynamics of Pt and Fe Nanoparticles: Size, Shape, Support, and Adsorbate Effects
Thermodynamics and Thermal Transport Near Lattice Instabilities
Thermodynamics of Multicomponent Alloys: Beyond the Binary Approximation
Ultrafast Dynamics of Excited Electrons in Materials
Vibrational Entropies of Liquids and Glasses
Vibrational Entropy and Chemical Configurations: Experimental Quantification and Their Correlation
X-ray and Neutron Scattering Studies of Lattice Vibrations and Thermodynamic Phase Stability in Vanadium Dioxide

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