Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation

Phonon transport analysis of silicon germanium alloys using molecular dynamics simulations

(2013) Takuma Hori et al.   JOURNAL OF APPLIED PHYSICS

Ioffe-Regel criterion and diffusion of vibrations in random lattices

(2013) Y. M. Beltukov et al.   PHYSICAL REVIEW B

Gas Diffusion, Energy Transport, and Thermal Accommodation in Single-Walled Carbon Nanotube Aerogels

(2012) Scott N. Schiffres et al.   ADVANCED FUNCTIONAL MATERIALS

A first-principles molecular dynamics approach for predicting optical phonon lifetimes and far-infrared reflectance of polar materials

(2012) Hua Bao et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Lattice thermal conductivity of semiconducting bulk materials: atomistic simulations

(2012) Yuping He et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermal transport in phase-change materials from atomistic simulations

(2012) Gabriele C. Sosso et al.   PHYSICAL REVIEW B

Microscopic mechanism of low thermal conductivity in lead telluride

(2012) Takuma Shiga et al.   PHYSICAL REVIEW B

Enhancing phonon transmission across a Si/Ge interface by atomic roughness: First-principles study with the Green's function method

(2012) Zhiting Tian et al.   PHYSICAL REVIEW B

Phonon conduction in PbSe, PbTe, and PbTe1−xSexfrom first-principles calculations

(2012) Zhiting Tian et al.   PHYSICAL REVIEW B

Thermal conductivity of bulk and nanowire Mg2SixSn1−xalloys from first principles

(2012) Wu Li et al.   PHYSICAL REVIEW B

Thermal Conductivity and Large Isotope Effect in GaN from First Principles

(2012) L. Lindsay et al.   PHYSICAL REVIEW LETTERS

Experimental Investigation of Size Effects on the Thermal Conductivity of Silicon-Germanium Alloy Thin Films

(2012) Ramez Cheaito et al.   PHYSICAL REVIEW LETTERS

Coherent Phonon Heat Conduction in Superlattices

(2012) M. N. Luckyanova et al.   SCIENCE

Thermal Transport in Nanoporous Silicon: Interplay between Disorder at Mesoscopic and Atomic Scales

(2011) Yuping He et al.   ACS Nano

Heat transport in amorphous silicon: Interplay between morphology and disorder

(2011) Yuping He et al.   APPLIED PHYSICS LETTERS

Perspectives on thermoelectrics: from fundamentals to device applications

(2011) M. Zebarjadi et al.   Energy & Environmental Science

Phonon engineering through crystal chemistry

(2011) Eric S. Toberer et al.   JOURNAL OF MATERIALS CHEMISTRY

Reducing thermal conductivity of binary alloys below the alloy limit via chemical ordering

(2011) John C Duda et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Morphology and Temperature Dependence of the Thermal Conductivity of Nanoporous SiGe

(2011) Yuping He et al.   NANO LETTERS

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

Thermal conductivity of half-Heusler compounds from first-principles calculations

(2011) Junichiro Shiomi et al.   PHYSICAL REVIEW B

Phonon-phonon interactions in transition metals

(2011) Laurent Chaput et al.   PHYSICAL REVIEW B

Heat transport in silicon from first-principles calculations

(2011) Keivan Esfarjani et al.   PHYSICAL REVIEW B

Density invariant vibrational modes in disordered colloidal crystals

(2011) N. L. Green et al.   PHYSICAL REVIEW E

Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study

(2011) Jivtesh Garg et al.   PHYSICAL REVIEW LETTERS

Thermal boundary resistance from mode energy relaxation times: Case study of argon-like crystals by molecular dynamics

(2010) Ali Rajabpour et al.   JOURNAL OF APPLIED PHYSICS

Cross-plane phonon transport in thin films

(2010) D. P. Sellan et al.   JOURNAL OF APPLIED PHYSICS

Intrinsic phonon relaxation times from first-principles studies of the thermal conductivities of Si and Ge

(2010) A. Ward et al.   PHYSICAL REVIEW B

Size effects in molecular dynamics thermal conductivity predictions

(2010) D. P. Sellan et al.   PHYSICAL REVIEW B

Heat transport in model jammed solids

(2010) Vincenzo Vitelli et al.   PHYSICAL REVIEW E

Bulk nanostructured thermoelectric materials: current research and future prospects

(2009) A. J. Minnich et al.   Energy & Environmental Science

Predicting the thermal conductivity of inorganic and polymeric glasses: The role of anharmonicity

(2009) Sergei Shenogin et al.   JOURNAL OF APPLIED PHYSICS

Thermal Properties for Bulk Silicon Based on the Determination of Relaxation Times Using Molecular Dynamics

(2009) Javier V. Goicochea et al.   JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME

Thermal boundary resistance predictions from molecular dynamics simulations and theoretical calculations

(2009) E. S. Landry et al.   PHYSICAL REVIEW B

Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations

(2009) J. E. Turney et al.   PHYSICAL REVIEW B

Ab initiotheory of the lattice thermal conductivity in diamond

(2009) A. Ward et al.   PHYSICAL REVIEW B

Energy Transport in Jammed Sphere Packings

(2009) Ning Xu et al.   PHYSICAL REVIEW LETTERS

Atomistic Simulations of Heat Transport in Silicon Nanowires

(2009) Davide Donadio et al.   PHYSICAL REVIEW LETTERS

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Thermal resistivity of Si–Ge alloys by molecular-dynamics simulation

(2008) Ashton Skye et al.   JOURNAL OF APPLIED PHYSICS

Complex thermoelectric materials

(2008) G. Jeffrey Snyder et al.   NATURE MATERIALS

Complex superlattice unit cell designs for reduced thermal conductivity

(2008) E. S. Landry et al.   PHYSICAL REVIEW B

Method to extract anharmonic force constants from first principles calculations

(2008) Keivan Esfarjani et al.   PHYSICAL REVIEW B