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Ab initio calculations and a direct method are applied to derive the phonon dispersion relations and phonon density of states for the ZrC crystal. The results are in good agreement with neutron scattering data. The force constants are…

Materials Science · Physics 2013-01-28 Paweł T. Jochym , Krzysztof Parlinski

We calculated the phonon dispersion relations of ZnX (X=Se, Te) employing ab initio techniques. These relations have been used to evaluate the temperature dependence of the respective specific heats of crystals with varied isotopic…

Materials Science · Physics 2015-06-03 R. K. Kremer , M. Cardona , R. Lauck , G. Siegle , A. H. Romero

Polarized Raman scattering spectra of superconducting K$_x$Fe$_{2-y}$Se$_2$ and nonsuperconducting K$_{0.8}$Fe$_{1.8}$Co$_{0.2}$Se$_2$ single crystals were measured in a temperature range from 10 K up to 300 K. Two Raman active modes from…

Materials Science · Physics 2016-09-20 M. Opačić , N. Lazarević , M. Šćepanović , Hyejin Ryu , Hechang Lei , C. Petrovic , Z. V. Popović

We study the inelastic scattering rate due to the Coulomb interaction in three-dimensional Dirac/Weyl semimetals at finite temperature. We show that the perturbation theory diverges because of the long-range nature of the interaction,…

Strongly Correlated Electrons · Physics 2018-08-01 Vladyslav Kozii , Liang Fu

Thermal-diffusional pulsation behaviors in planar as well as outwardly and inwardly propagating white dwarf carbon flames are systematically studied. In the 1D numerical simulation, the asymptotic degenerate equation of state and simplified…

High Energy Astrophysical Phenomena · Physics 2017-05-31 Guangzheng Xing , Yibo Zhao , Mikhail Modestov , Cheng Zhou , Yang Gao , Chung K. Law

This paper brings out results of a measurement campaign aiming to determine the temperature coefficients of synthetic quartz elastic constants at liquid helium temperature. The method is based on the relationship between the resonance…

Other Condensed Matter · Physics 2016-12-21 Jérémy Bon , Serge Galliou , Roger Bourquin

Our direct atomic simulations reveal that a thermally activated phonon mode involves a large population of elastic wavepackets. These excitations are characterized by a wide distribution of lifetimes and coherence times expressing particle-…

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

The coefficient of diffusion of hydrogen in crystalline silicon is calculated using tight-binding molecular dynamics. Our results are in good quantitative agreement with an earlier study by Panzarini and Colombo [Phys. Rev. Lett. 73, 1636…

Materials Science · Physics 2009-10-31 Sabrina Bedard , Laurent J. Lewis

The all-temperature magnon (ATM) theory [J. Phys. Condens. Matter 21, 336003/1-14, 2009] has been used to analyze the temperature dependence of magnetization as well as the internal energy components of a mono-domain ferromagnetic solid.…

Materials Science · Physics 2023-06-30 Sambhu N. Datta

Collective diffusion coefficient in a one dimensional lattice gas adsorbate is calculated using variational approach. Particles interact via either a long-range, or a long range electron-gas-mediated (for a metallic substrate), or a…

Materials Science · Physics 2009-05-26 Filip Krzyżewski , Magdalena A. Załuska-Kotur

The self-diffusion process in a dense liquid is influenced by collective particle movements. Extensive molecular dynamics simulations for liquid aluminium and rubidium evidence a crossover in the diffusion coefficient at about $1.4$ times…

Disordered Systems and Neural Networks · Physics 2024-12-03 Franz Demmel , Noel Jakse

Diffusion of small particles is omnipresent in a plentiful number of processes occurring in Nature. As such, it is widely studied and exerted in almost all branches of sciences. It constitutes such a broad and often rather complex subject…

Statistical Mechanics · Physics 2023-01-11 Jakub Spiechowicz , Ivan G. Marchenko , Peter Hänggi , Jerzy Łuczka

Thermal resonance, in which the temperature amplitude attains a maximum value (peak) in response to an external exciting frequency source, is a phenomenon pertinent to the presence of underdamped thermal oscillations and explicit…

Materials Science · Physics 2024-07-22 Emad Awad , Weizhong Dai , Sergey Sobolev

Metallic glasses are promising materials with unique mechanical and thermal properties, but their atomic-scale dynamics remain challenging to understand. In this work, we develop a unified approach to investigate the glass transition and…

Materials Science · Physics 2025-02-07 Anh D. Phan , Do T. Nga , Ngo T. Que , Hailong Peng , Thongchanh Norhourmour , Le M. Tu

Ion diffusion is important in a variety of applications, yet fundamental understanding of the diffusive process in solids is still missing, especially considering the interaction of lattice vibrations (phonons) and the mobile species. In…

Materials Science · Physics 2020-12-02 Kiarash Gordiz , Sokseiha Muy , Wolfgang G. Zeier , Yang Shao-Horn , Asegun Henry

This work presents an experimental set of Bunsen flames characterized by a moderate Reynolds number and a variable turbulence intensity. Ten lean hydrogen-enriched methane-air mixtures at three levels of turbulence are investigated, ranging…

Fluid Dynamics · Physics 2023-12-01 Guido Troiani , Pasquale Eduardo Lapenna , Francesco D'Alessio , Francesco Creta

We study the sine-Gordon kink diffusion at finite temperature in the overdamped limit. By means of a general perturbative approach, we calculate the first- and second-order (in temperature) contributions to the diffusion coefficient. We…

Statistical Mechanics · Physics 2009-10-31 Niurka R. Quintero , Angel Sanchez , Franz G. Mertens

The paper studies the overdamped motion of Brownian particles in a tilted sawtooth potential. The dependencies of the diffusion coefficient and coherence level of Brownian transport on temperature, tilting force, and the shape of the…

Soft Condensed Matter · Physics 2009-11-10 E. Heinsalu , R. Tammelo , T. Ord

Scattering of normally incident longitudinal and transverse acoustic waves by a randomly rough surface of an elastically isotropic solid is analyzed within the small perturbation approach. In the limiting case of a large correlation length…

Other Condensed Matter · Physics 2015-05-04 A. A. Maznev

Based on ab initio band structure calculations we formulate a general theoretical method for description of the temperature dependence of electric field gradient in solids. The method employs a procedure of averaging multipole electron…

Materials Science · Physics 2020-03-04 A. V. Nikolaev , N. M. Chtchelkatchev , D. A. Salamatin , A. V. Tsvyashchenko