Thermal Transport by First|Principles Anharmonic Lattice Dynamics ...

Thermal Transport by First-Principles Anharmonic Lattice Dynamics

33 Thermal Transport by First-Principles Anharmonic Lattice Dynamics. 737. 10. 100. 20. 40. 60 80 100. 300. 500 thermal conductivity (W/m-K) temperature (K).

Thermal Transport by First-Principles Anharmonic Lattice Dynamics ...

Predictive methodologies for calculating lattice thermal transport and related properties have been recently developed and benchmarked successfully against ...

First‐Principles Study of the Effects of High‐Order Anharmonicity on ...

First-Principles Study of the Effects of High-Order Anharmonicity on the Thermal Transport Properties and Thermoelectric Effects in the Lattice ...

Thermal Transport by First-Principles Anharmonic Lattice Dynamics

Request PDF | On Mar 31, 2020, Lucas Lindsay and others published Thermal Transport by First-Principles Anharmonic Lattice Dynamics | Find, ...

Thermal Transport by First-Principles Anharmonic Lattice Dynamics...

We discuss how these numerical methods may be employed to advance fundamental understanding of thermal transport, particularly as applied to ...

First-Principles Study of Anharmonic Lattice Dynamics in Low ...

This strong resonant scattering extends over the Brillouin zone and substantially suppresses the thermal transport, even down to a low ...

Thermal Transport by First-Principles Anharmonic Lattice Dynamics ...

Predictive methodologies for calculating lattice thermal transport and related properties have been recently developed and benchmarked successfully against ...

First-Principles Study of Thermal Transport in Highly Anharmonic ...

However, accurately describing the lattice dynamics and microscopic mechanism of thermal transport in materials with strong anharmonicity continues to be a long ...

Anharmonic effects on lattice dynamics and thermal transport of two ...

Ozoliņš, Lattice Anharmonicity and Thermal. Conductivity from Compressive Sensing of First-Principles Calculations, Phys. Rev. Lett. Page 20. 20. 113 (2014) ...

First-principles calculations of lattice thermal conductivity in ...

Accurate and reliable first-principles simulations of lattice thermal conductivity ( κ L ) of highly anharmonic crystals have long been challenging.

Efficient Anharmonic Lattice Dynamics Calculations of Thermal ...

Understanding heat transport in semiconductors and insulators is of fundamental importance because of its technological impact in electronics ...

Pressure effects on the anomalous thermal transport and ...

The lattice thermal conductivity of CsX (X = Cl, Br, and I) and its pressure dependence are investigated using first-principles third-order anharmonic force ...

First-Principles Study of Anharmonic Lattice Dynamics in Low ...

First-Principles Study of Anharmonic Lattice Dynamics in Low Thermal Conductivity AgCrSe_{2}: Evidence for a Large Resonant Four-Phonon Scattering.

Efficient anharmonic lattice dynamics calculations of thermal ...

The theory of lattice thermal transport in solids has been developed over several decades. Yet, computing heat transport in complex ...

First-principles Debye–Callaway approach to lattice thermal ...

The lattice thermal conductivity (κL or κ for simplicity) is the heat transfer ability through a sample that has a temperature difference between its two ends ( ...

Anharmonic Lattice DYNamics (ALADYN) suite of codes - Figshare

Anharmonic formalism and codes to calculate thermal transport and phase change from first-principles: Anharmonic Lattice DYNamics (ALADYN) suite ...

Thermal Transport by First-Principles Anharmonic Lattice Dynamics

Andersson P (1985) Thermal conductivity under pressure and through phase transitions in solid alkali halides. I. Experimental results for KCl, KBr, KI, ...

First-principles study of thermal transport in highly anharmonic ...

The anharmonic lattice dynamics and thermal transport in BaZrO3 were investigated by combining the first-principles-based self-consistent phonon theory and a ...

Anharmonic effects on lattice dynamics and thermal transport of two ...

This method is efficient at high temperatures because it permits anharmonic terms to affect the phonon eigenvectors and the internal coordinate system. Although ...

High-order Anharmonic Scattering and Wide-Temperature-Range ...

In this work, we investigate the lattice thermal conductivity of crystalline CsCu 4Se 3 by coupling first-principles anharmonic lattice dynamics ...