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First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…

Computational Physics · Physics 2016-02-02 Pengfei Ji , Yuwen Zhang

We perform non-equilibrium simulations to study heat conduction in two-dimensional strongly coupled dusty plasmas. Temperature gradients are established by heating one part of the otherwise equilibrium system to a higher temperature. Heat…

Plasma Physics · Physics 2015-05-13 Lu-Jing Hou , Alexander Piel

Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at different temperatures are used to generate a nonequilibrium…

Mesoscale and Nanoscale Physics · Physics 2020-01-08 Zhen Li , Shiyun Xiong , Charles Sievers , Yue Hu , Zheyong Fan , Ning Wei , Hua Bao , Shunda Chen , Davide Donadio , Tapio Ala-Nissila

In this paper, we study exactly the thermal conductance for a low dimensional system represented by two coupled massive Brownian particles, both directly and via a Green-Kubo expression. Both approaches give exactly the same result. We also…

Statistical Mechanics · Physics 2011-07-01 W. A. M. Morgado , D. O. Soares-Pinto

A complete model for estimating the electric conductivity of combustion product gases, with added cesium (Cs) or potassium (K) vapor for ionization, is presented. Neutral carrier gases serve as the bulk fluid that carries the seed material,…

Plasma Physics · Physics 2024-06-07 Osama A. Marzouk

Classical Molecular Dynamics (MD) simulations for a one-component plasma (OCP) are presented. Quantum effects are included in the form of the Kelbg potential. Results for the dynamical structure factor are compared with the Vlasov and RPA…

Plasma Physics · Physics 2009-11-06 V. Golubnychiy , M. Bonitz , D. Kremp , M. Schlanges

We use extensive classical molecular dynamics simulations to calculate the thermal conductivity of a model silica glass. Apart from the potential parameters, this is done with no other adjustable quantity and the standard equations of heat…

Disordered Systems and Neural Networks · Physics 2009-10-31 Philippe Jund , Remi Jullien

The ion-electron coupling properties for a ion impurity in an electron gas and for a two component plasma are carried out on the basis of a regularized electron-ion potential removing the short-range Coulomb divergence. This work is largely…

Statistical Mechanics · Physics 2009-11-07 B Talin , E Dufour , A Calisti , M A Gigosos , M A Gonzalez , T del Rio Gaztelurrutia , J Dufty

Given the unique optical properties of LiF, it is often used as an observation window in high-temperature and pressure experiments; and, hence, estimates of its transmission properties are necessary to interpret observations. Since direct…

Materials Science · Physics 2016-07-27 R. E. Jones , D. K. Ward

The thermal conductivity of classical multi-component fluids is seemingly affected by the intrinsic arbitrariness in the definition of the atomic energies and it is ill-conditioned numerically, when evaluated from the Green-Kubo theory of…

Statistical Mechanics · Physics 2019-09-30 Riccardo Bertossa , Federico Grasselli , Loris Ercole , Stefano Baroni

The heat flux autocorrelation functions of carbon nanotubes (CNTs) with different radius and lengths is calculated using equilibrium molecular dynamics. The thermal conductance of CNTs is also calculated using the Green-Kubo relation from…

Materials Science · Physics 2009-11-10 Zhenhua Yao , Jian-Sheng Wang , Baowen Li , Gui-Rong Liu

The relaxation rate of a Maxwellian velocity distribution function that has an initially anisotropic temperature $(T_\parallel \neq T_\perp)$ is an important physical process in space and laboratory plasmas. It is also a canonical example…

Plasma Physics · Physics 2017-06-07 Scott D. Baalrud , Jerome Daligault

The pressure and internal energy of an ultracold plasma in a state of quasi-equilibrium are evaluated using classical molecular dynamics simulations. Coulomb collapse is avoided by modeling electron-ion interactions using an attractive…

Plasma Physics · Physics 2017-04-26 Sanat Kumar Tiwari , Nathaniel R. Shaffer , Scott D. Baalrud

An important process for antimatter experiments is the cooling of particles in a Penning-Malmberg trap to experimentally useful temperatures. A non-neutral plasma of one species (e.g. antiprotons) can be collisionally cooled on another…

Plasma Physics · Physics 2025-11-13 James C. Welch , Louis Jose , Timothy D. Tharp , Scott D. Baalrud

We investigate how the normal energy transport is realized in one-dimensional quantum systems using a quantum spin system. The direct investigation of local energy distribution under thermal gradient is made using the quantum master…

Chaotic Dynamics · Physics 2009-11-07 Keiji Saito

The static electrical conductivity of non-ideal, dense, partially ionized helium plasma was calculated over a wide range of plasma parameters: temperatures $1\cdot 10^{4}\textrm{K} \lesssim T \lesssim 1\cdot 10^{5}\textrm{K}$ and mass…

Solar and Stellar Astrophysics · Physics 2012-08-14 V. A. Sreckovic , Lj. M. Ignjatovic , A. A. Mihajlov , M. S. Dimitrijevic

The calculation of thermal conductivity in insulating solids at temperatures below the Debye temperature is problematic, due to the breakdown of classical and semi-classical approaches. In this work, we present a fully quantum methodology…

Statistical Mechanics · Physics 2026-02-19 Vladislav Efremkin , Stefano Mossa , Jean-Louis Barrat , Markus Holzmann

We formulate and test a hybrid fluid-Monte Carlo scheme for the treatment of elastic collisions in gases and plasmas. While our primary focus and demonstrations of applicability are for moderately collisional plasmas, as described by the…

Computational Physics · Physics 2015-06-12 L. F. Ricketson , M. S. Rosin , R. E. Caflisch , Andris M. Dimits

The simplest model for non-congruent phase transition of gas-liquid type was developed in frames of modified model with no associations of a binary ionic mixture (BIM) on a homogeneous compressible ideal background (or non-ideal) electron…

Plasma Physics · Physics 2015-11-09 Nikita Stroev , Igor Iosilevskiy

We study the classical two-dimensional one-component plasma of $N$ positively charged point particles, interacting via the Coulomb potential and confined by an external potential. For the specific inverse temperature $\beta=1$ (in our…

Mathematical Physics · Physics 2019-08-21 Roland Bauerschmidt , Paul Bourgade , Miika Nikula , Horng-Tzer Yau