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As nanostructured devices become prevalent, interfaces often play an important role in thermal transport phenomena. However, interfacial thermal transport remains poorly understood due to complex physics across a wide range of length scales…

Mesoscale and Nanoscale Physics · Physics 2024-02-27 Xun Li , Jinchen Han , Sangyeop Lee

In spite of their importance for understanding phonon transport phenomena in thin films and polycrystalline solids, the effects of boundary roughness scattering on phonon specularity and coherence are poorly understood because there is no…

Mesoscale and Nanoscale Physics · Physics 2020-05-08 Zhun-Yong Ong , Georg Schusteritsch , Chris J. Pickard

Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…

Mesoscale and Nanoscale Physics · Physics 2019-09-11 Georgios Varnavides , Adam S. Jermyn , Polina Anikeeva , Prineha Narang

Two-dimensional (2D) ZrS2 monolayer (ML) has emerged as a promising candidate for thermoelectric (TE) device applications due to its high TE figure of merit, which is mainly contributed by its inherently low lattice thermal conductivity.…

Materials Science · Physics 2021-08-13 Abhiyan Pandit , Bothina Hamad

In order to provide the best possible performance, modern infrared photodetector designs necessitate extremely precise modeling of the superlattice absorber region. We advance the Rode's method for the Boltzmann transport equation in…

Materials Science · Physics 2023-07-05 Rohit Kumar , Anup Kumar Mandia , Anuja Singh , Bhaskaran Muralidharan

Nonequilibrium phonon transport driven by nanoscale hotspot heating in silicon device layers governs heat dissipation in advanced microelectronics and underscores the need for a better microscopic understanding of such processes. Yet the…

Materials Science · Physics 2026-01-12 Jae Sik Jin

We solve a Schrodinger equation for inelastic quantum transport that retains full quantum coherence, in contrast to previous rate or Boltzmann equation approaches. The model Hamiltonian is the zero temperature 1d Holstein model for an…

Strongly Correlated Electrons · Physics 2009-10-30 Janez Bonca , S. A. Trugman

Ultrafast thermal transport in low-dimensional materials challenges traditional diffusive models due to reduced scattering, strong electron-phonon coupling, and pronounced non-equilibrium effects. To address these complexities, we extend…

Mesoscale and Nanoscale Physics · Physics 2025-12-01 Houssem Rezgui , Chuang Zhang , Clivia Sotomayor-Torres

The intrinsic charge transport of stanene is investigated by using density function theory and density function perturbation theory coupled with Boltzmann transport equations from first principles. The accurate Wannier interpolations are…

Chemical Physics · Physics 2018-01-11 Yuma Nakamura , Tianqi Zhao , Jinyang Xi , Wen Shi , Dong Wang , Zhigang Shuai

We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Troels Markussen , Mattias Palsgaard , Daniele Stradi , Tue Gunst , Mads Brandbyge , Kurt Stokbro

We demonstrate a first-principles method to study magnetotransport in materials by solving the Boltzmann transport equation (BTE) in the presence of an external magnetic field. Our approach employs ab initio electron-phonon interactions and…

Materials Science · Physics 2021-04-14 Dhruv C. Desai , Bahdan Zviazhynski , Jin-Jian Zhou , Marco Bernardi

The radiative transfer equation (RTE) models the transport of light inside photonic scattering samples such as paint, foam and tissue. Analytic approximations to solve the RTE fail for samples with strong absorption and dominant anisotropic…

Optics · Physics 2022-03-24 Ozan Akdemir , Ad Lagendijk , Willem L. Vos

We present a neutron scattering study of phonons in single crystals of (Pb$_{0.5}$Sn$_{0.5}$)$_{1-x}$In$_x$Te with $x=0$ (metallic, but nonsuperconducting) and $x=0.2$ (nonmetallic normal state, but superconducting). We map the phonon…

In this paper, a finite-volume discrete unified gas kinetic scheme (DUGKS) based on the non-gray phonon transport model is developed for multiscale heat transfer problem with arbitrary temperature difference. Under large temperature…

Computational Physics · Physics 2018-10-24 Chuang Zhang , Zhaoli Guo

Exotic nondiffusive heat transfer regimes such as the second sound, where heat propagates as a damped wave at speeds comparable to those of mechanical disturbances, often occur at cryogenic temperatures (T) and nanosecond timescales in…

Materials Science · Physics 2025-02-04 Nikhil Malviya , Navaneetha K. Ravichandran

Steady-state thermal transport in nanostructures with dimensions comparable to the phonon mean-free-path is examined. Both the case of contacts at different temperatures with no internal heat generation and contacts at the same temperature…

Mesoscale and Nanoscale Physics · Physics 2017-03-08 Jan Kaiser , Tianli Feng , Jesse Maassen , Xufeng Wang , Xiulin Ruan , Mark Lundstrom

Simulations (e.g. Zhou et al., Phys. Rev. B 79, 115201 (2009)) show nonlocal effects of the ballistic/diffusive crossover. The local temperature has nonlinear spatial variation not contained in the local Fourier law…

Materials Science · Physics 2018-05-02 Philip B. Allen

We study uncertainty quantification for a Boltzmann-Poisson system that models electron transport in semiconductors and the physical collision mechanisms over the charges. We use the stochastic Galerkin method in order to handle the…

Numerical Analysis · Mathematics 2021-07-20 Jose A. Morales Escalante , Clemens Heitzinger

This paper is concerned with three-dimensional acoustic wave scattering in two-layer media, where the two homogeneous layers are separated by a locally perturbed plane featuring an axially symmetric perturbation. A fast novel boundary…

Numerical Analysis · Mathematics 2024-12-17 Hangya Wang , Wangtao Lu

The complex interaction between transverse acoustic (TA) phonon, transverse optic (TO) phonon and polar nano-domains (PND) in the relaxor ferroelectric KTa1-xNbxO3 (KTN) is studied by means of high resolution diffuse and inelastic neutron…

Mesoscale and Nanoscale Physics · Physics 2016-09-08 J. Toulouse , E. Iolin , B. Hennion , D. Petitgrand , G. Yong , R. Erwin
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