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Temperature-dependent transport data, including diffusion coefficients and ionic conductivities, are routinely analysed by fitting empirical models such as the Arrhenius equation. These fitted models yield parameters such as the activation…

Materials Science · Physics 2026-05-25 Andrew R. McCluskey , Samuel W. Coles , Benjamin J. Morgan

The effect on the vibrational and thermal properties of gradually interconnected nanoinclusions embedded in an amorphous silicon matrix is studied using MD simulations. The nanoinclusion arrangement ranges from an aligned sphere array to an…

Mesoscale and Nanoscale Physics · Physics 2021-05-10 Paul Desmarchelier , Alice Carré , Konstantinos Termentzidis , Anne Tanguy

We study the quantum thermal transport of elastic excitations through a two-dimensional elastic waveguide between two thermal reservoirs. We solve the classical Kirchhoff-Love equation for rectangular wires and explore the dispersion…

The Langevin equation is ubiquitously employed to numerically simulate plasmas, colloids and electrolytes. However, the usual assumption of white noise becomes untenable when the system is subject to an external AC electric field. This is…

Plasma Physics · Physics 2025-01-07 Daniele Gamba , Bingyu Cui , Alessio Zaccone

A thorough understanding of the microscopic picture of heat conduction in solids is critical to a broad range of applications, from thermal management of microelectronics to more efficient thermoelectric materials. The transport properties…

Materials Science · Physics 2021-02-04 Yujie Quan , Shengying Yue , Bolin Liao

Understanding heat transport in organic semiconductors is of fundamental and practical relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo)acenes, where an increasing number of rings per molecule leads to…

Materials Science · Physics 2024-12-09 Lukas Legenstein , Lukas Reicht , Sandro Wieser , Michele Simoncelli , Egbert Zojer

The effects of thermal diffuse scattering on the transmission and eventual diffraction of highly accelerated electrons are investigated with a method that incorporates the frozen phonon approximation to the exact numerical solution of the…

Computational Physics · Physics 2018-01-22 S. Rudinsky , A. S. Sanz , R. Gauvin

We calculate numerically the normal modes of vibrations in 3D jammed packings of soft spheres as a function of the packing fraction and obtain the energy diffusivity, a spectral measure of transport that controls sound propagation and…

Disordered Systems and Neural Networks · Physics 2013-05-29 Vincenzo Vitelli , Ning Xu , Matthieu Wyart , Andrea J. Liu , Sidney R. Nagel

The frequency dependent phonon Boltzmann equation is transformed to an integral equation over the irreducible part of the Brillouin zone. Simultaneous diagonalization of the collision kernel of that equation and a symmetry crystal class…

Materials Science · Physics 2013-03-19 Laurent Chaput

We study hydrodynamic phonon heat transport in two-dimensional (2D) materials. Starting from the Peierls-Boltzmann equation within the Callaway model, we derive a 2D Guyer-Krumhansl-like equation describing non-local hydrodynamic phonon…

Mesoscale and Nanoscale Physics · Physics 2019-03-13 Man-Yu Shang , Jing-Tao Lü

We describe the mathematical theory of diffusion and heat transport with a view to including some of the main directions of recent research. The linear heat equation is the basic mathematical model that has been thoroughly studied in the…

Analysis of PDEs · Mathematics 2017-06-27 Juan Luis Vázquez

The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized near the interface. These interface phonons play an essential role in thermal/electrical transport properties in devices…

Materials Science · Physics 2022-01-05 Ruishi Qi , Ruochen Shi , Yuanwei Sun , Yuehui Li , Mei Wu , Ning Li , Jinlong Du , Kaihui Liu , Chunlin Chen , Dapeng Yu , En-Ge Wang , Peng Gao

Excitons are compound particles formed from an electron and a hole in semiconductors. The impact of this substructure on the phonon-exciton interaction is described by a closed system of microscopic scattering equations. To calculate the…

Mesoscale and Nanoscale Physics · Physics 2024-04-08 Manuel Katzer , Malte Selig , Andreas Knorr

Hydrodynamic second sound can be generated by heat pulses when the phonon-phonon interaction is dominantly momentum conserving, and the propagation of the temperature field becomes wavelike rather than diffusive. While the Boltzmann…

Materials Science · Physics 2025-01-08 Xin Qian , Chuang Zhang , Te-Huan Liu , Ronggui Yang

Coherent thermal transport in nanopatterned structures is a topic of considerable interest, but whether it occurs in certain structures remains unclear due to poor understanding of which phonons conduct heat. Here, we perform the first…

Materials Science · Physics 2020-06-26 Navaneetha K. Ravichandran , Austin J. Minnich

Problems of heat transport are ubiquitous to various technologies such as power generation, cooling, electronics, and thermoelectrics. In this paper we advocate for the application of the quantum self-consistent reservoir method, which is…

Mesoscale and Nanoscale Physics · Physics 2019-01-30 Roya Moghaddasi Fereidani , Dvira Segal

The "textbook" phonon mean free path (MFP) of heat carrying phonons in silicon at room temperature is ~40 nm. However, a large contribution to the thermal conductivity comes from low-frequency phonons with much longer MFPs. We present a…

The microscale thermal transport properties of $\alpha$RDX are believed to be major factors in the initiation process. In this study we present a thorough examination of phonon properties which dominate energy storage and transport in…

Materials Science · Physics 2018-10-04 Francis G. VanGessel , Gaurav Kumar , Daniel C. Elton , Peter W. Chung

To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…

Materials Science · Physics 2007-05-23 A. J. H. McGaughey , M. I. Hussein , E. S. Landry , M. Kaviany , G. M. Hulbert

Bulk matter produced in heavy ion collisions has multiple conserved quantum numbers like baryon number, strangeness and electric charge. The diffusion process of these charges can be described by a diffusion matrix describing the…

Nuclear Theory · Physics 2022-08-31 Arpan Das , Hiranmaya Mishra , Ranjita K. Mohapatra