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There is still a gap in understanding phonons scattering by geometrical defects at the nanoscale, and it remains a significant challenge for heat transfer management in nanoscale devices and systems. In this study, we aim to explore the…

Mesoscale and Nanoscale Physics · Physics 2024-03-19 Mykola Isaiev , Nataliia Kyrychenko , Vasyl Kuryliuk , David Lacroix

We report electrical transport experiments using the phenomenon of electrical breakdown to perform thermometry that probe the thermal properties of individual multi-walled nanotubes. Our results show that nanotubes can readily conduct heat…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 H. -Y. Chiu , V. V. Deshpande , H. W. Ch. Postma , C. N. Lau , C. Mikó , L. Forró , M. Bockrath

In this work, we present a comprehensive investigation of graphene's thermal conductivity using first-principles density functional perturbation theory calculations, with a focus on the phonon and lattice vibrational properties underlying…

Materials Science · Physics 2024-12-25 Archishman Gupta , Ankit Arora

Quasiparticle theory gives a local relation between heat current and temperature gradient, provided the quasiparticle mean free path is smaller than the scale of variation of temperature. When mean free paths are comparable to sample size,…

Mesoscale and Nanoscale Physics · Physics 2013-08-14 Philip B. Allen

The temperature and volume dependences of the thermal conductivity of solid Kr(1-x)Xe(x)solution are analyzed within the model in which heat is transferred by mobile low-frequency phonons; above the phonon mobility edge this is done by…

Materials Science · Physics 2007-05-23 V. A. Konstantinov , E. S. Orel , V. P. Revyakin

The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…

Materials Science · Physics 2026-05-20 Soham Mandal , Manish Jain , Prabal K. Maiti

We present analytical model and molecular dynamics simulations of phonon heat transport in nanowires and nanoribbons with anharmonic lattices and dynamically rough surfaces and edges. In agreement with recent experiments on heat transport…

Statistical Mechanics · Physics 2011-12-30 Yuriy A. Kosevich , Alexander V. Savin

The understanding and modeling of inelastic scattering of thermal phonons at a solid/solid interface remain an open question. We present a fully quantum theoretical scheme to quantify the effect of anharmonic phonon-phonon scattering at an…

Mesoscale and Nanoscale Physics · Physics 2021-05-26 Yangyu Guo , Zhongwei Zhang , Marc Bescond , Shiyun Xiong , Masahiro Nomura , Sebastian Volz

While phonons and electrons are well-established heat carriers in solids, photons are typically associated only with radiative transfer between surfaces. Yet for over 70 years, theorists have speculated that thermal photons could also…

Materials Science · Physics 2025-10-28 Janak Tiwari , Tianli Feng

Controlling the transport of thermal energy is key to most applications of metal-organic frameworks. Analyzing the evolution of the effective local temperature, the interfaces between the metal nodes and the organic linkers are identified…

Heat is a familiar form of energy transported from a hot side to a colder side of an object, but not a notion associated with microscopic measurements of electronic properties. A temperature difference within a material causes charge…

Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…

It has recently been shown theoretically that the time-dependent heat conduction equation is form-invariant under curvilinear coordinate transformations. Thus, in analogy to transformation optics, fictitious transformed space can be mapped…

Materials Science · Physics 2013-05-14 Robert Schittny , Muamer Kadic , Sebastien Guenneau , Martin Wegener

Due to their aspect ratio and wide range of thermal conductivities, nanotubes hold significant promise as heat-management nanocomponents. Their practical use is, however, often limited by thermal resistance introduced by structural defects…

Materials Science · Physics 2025-10-20 Yu-Jie Cen , Sandro Wieser , Georg K. H. Madsen , Jesús Carrete

We present a new method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$) in materials, informed by ${ab\,initio}$ material property simulations. Using the Boltzmann transport equation in a Self-Adjoint Angular Flux…

Materials Science · Physics 2019-08-22 Jackson R. Harter , Aria Hosseini , Todd. S. Palmer , P. Alex Greaney

Predictive modeling of the phonon/thermal transport properties of materials is vital to rational design for a diverse spectrum of engineering applications. Classical Molecular Dynamics (MD) simulations serve as a tool to simulate the time…

We outline a general approach to the computation of transport properties of interacting systems at low temperetures and frequencies. We show that if the fixed point and the irrelevant operators around it are known, then by studying the…

Strongly Correlated Electrons · Physics 2009-11-10 Natan Andrei , Efrat Shimshoni , Achim Rosch

During the fabrication of heterogeneous structures inside chips, impurities and defects are inevitably introduced. However, the mechanism by which defects affect interfacial heat transport remains unclear. In this work, a microscale thermal…

Materials Science · Physics 2025-08-19 Ershuai Yin , Wenzhu Luo , Lei Wang , Qiang Li

A large fraction of quantum science and technology requires low-temperature environments such as those afforded by dilution refrigerators. In these cryogenic environments, accurate thermometry can be difficult to implement, expensive, and…

Applied Physics · Physics 2020-07-07 C. A. Potts , V. A. S. V. Bittencourt , S. Viola Kusminskiy , J. P. Davis

We present an \emph{ab initio} study of the role of interference effects in the thermal conductance of single-molecule junctions. To be precise, using a first-principles transport method based on density functional theory, we analyze the…

Mesoscale and Nanoscale Physics · Physics 2017-12-27 J. C. Klöckner , J. C. Cuevas , F. Pauly