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Molecular dynamics (MD) simulations are used to calculate transport coefficients in a two-component plasma interacting through a repulsive Coulomb potential. The thermal conductivity, electrical conductivity, electrothermal coefficient,…

Plasma Physics · Physics 2025-11-14 Briggs Damman , Jarett LeVan , Scott Baalrud

Intrinsic bulk viscosity of the one-component plasma (OCP) is computed and analyzed using equilibrium molecular dynamics simulations and the Green-Kubo formalism. It is found that bulk viscosity exhibits a maximum at $\Gamma \approx 1$,…

Plasma Physics · Physics 2025-01-15 Jarett LeVan , Scott D. Baalrud

The evaluation of transport coefficients in extended systems, such as thermal conductivity or shear viscosity, is known to require impractically long simulations, thus calling for a paradigm shift that would allow to deploy state-of-the-art…

Statistical Mechanics · Physics 2019-09-30 Loris Ercole , Aris Marcolongo , Stefano Baroni

Equilibrium molecular dynamics (EMD) simulations through Green-Kubo formula (GKF) have been widely used in the study of thermal conductivity of various materials. However, there exist controversial simulation results which have huge…

Statistical Mechanics · Physics 2015-05-19 Jie Chen , Gang Zhang , Baowen Li

We study the thermophysical properties of dense helium plasmas by using quantum molecular dynamics and orbital-free molecular dynamics simulations, where densities are considered from 400 to 800 g/cm$^{3}$ and temperatures up to 800 eV.…

Materials Science · Physics 2011-06-27 Cong Wang , Xian-Tu He , Ping Zhang

The classical one-component plasma (OCP) bounded by a spherical surface reflecting ions (BOCP) is studied using molecular dynamics (MD). Simulations performed for a series of sufficiently large BOCP's make it possible to establish the size…

Plasma Physics · Physics 2026-04-10 D. I. Zhukhovitskii , E. E. Perevoshchikov

The one-component plasma (OCP) represents the simplest statistical mechanical model of a Coulomb system. For this reason, it has been extensively studied over the last forty years. The advent of the integral equations has resulted in a…

Soft Condensed Matter · Physics 2015-06-25 M. N. Tamashiro , Yan Levin , Marcia C. Barbosa

Molecular dynamics simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using…

Computational Physics · Physics 2018-05-02 Haikuan Dong , Zheyong Fan , Libin Shi , Ari Harju , Tapio Ala-Nisilla

Thermal conductivity of hadron matter is studied using a microscopic transport model, which will be used to simulate ultra-relativistic heavy ion collisions at different energy densities, namely the Ultra-relativistic Quantum Molecular…

Nuclear Theory · Physics 2016-04-27 T. E Nemakhavhani , A. Muronga

Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity…

Statistical Mechanics · Physics 2009-11-10 Toshiyuki Hamanaka , Ryoichi Yamamoto , Akira Onuki

The temperature equilibration rate in dense hydrogen (for both T_{i}>T_{e} and T_i<T_e) has been calculated with molecular dynamics simulations for temperatures between 10 and 600 eV and densities between 10^{20}/cc to 10^{24}/cc. Careful…

Kinetic instabilities in weakly collisional, high beta plasmas are investigated using two-dimensional hybrid expanding box simulations with Coulomb collisions modeled through the Langevin equation (corresponding to the Fokker-Planck one).…

Plasma Physics · Physics 2019-02-20 Petr Hellinger , Pavel M. Travnicek

The Coulomb log (log {\Lambda}) approximation is widely used to approximate electron transport coefficients in dense plasmas. It is a classical approximation to the momentum transport cross section. The accuracy of this approximation for…

Plasma Physics · Physics 2018-10-17 Charles Starrett

Orbital-free molecular dynamics simulations are used to benchmark two popular models for hot dense plasmas: the one component plasma (OCP) and the Yukawa model. A unified concept emerges where an effective OCP (eOCP) is constructed from the…

Plasma Physics · Physics 2020-11-19 Jean Clérouin , Philippe Arnault , Christopher Ticknor , Joel D. Kress , Lee A. Collins

In a non-ideal classical Coulomb one-component plasma (OCP) all thermodynamic properties are known to depend only on a single parameter -- the coupling parameter $\Gamma$. In contrast, if the pair interaction is screened by background…

Plasma Physics · Physics 2015-03-06 T. Ott , M. Bonitz , L. Stanton , M. S. Murillo

Bulk viscosity of a plasma consisting of strongly coupled diatomic ions is computed using molecular dynamics simulations. The simulations are based on the rigid rotor one-component plasma, which is introduced as a model system that adds two…

Plasma Physics · Physics 2024-05-29 Jarett LeVan , Marco Acciarri , Scott Baalrud

Quantum simulation methods based on density-functional theory are currently deemed unfit to cope with atomic heat transport within the Green-Kubo formalism, because quantum-mechanical energy densities and currents are inherently ill-defined…

Materials Science · Physics 2016-01-20 Aris Marcolongo , Paolo Umari , Stefano Baroni

We introduce a model whose thermal conductivity diverges in dimension 1 and 2, while it remains finite in dimension 3. We consider a system of oscillators perturbed by a stochastic dynamics conserving momentum and energy. We compute thermal…

Statistical Mechanics · Physics 2009-03-04 Giada Basile , Cedric Bernardin , Stefano Olla

Mean force kinetic theory is used to evaluate the electrical conductivity, thermal conductivity, electrothermal coefficient, thermoelectric coefficient, and shear viscosity of a two-component (ion-electron) plasma. Results are compared with…

Plasma Physics · Physics 2025-11-14 Jarett LeVan , Scott D. Baalrud

We investigate the possibility of generating initial conditions for cosmological N-body simulations by simulating a system whose correlations at thermal equilibrium approximate well those of cosmological density perturbations. The system is…

Astrophysics · Physics 2009-11-10 M. Joyce , D. Levesque , B. Marcos
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