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Equilibrium molecular dynamics simulations are used to calculate the thermal conductivity of the one component plasma (OCP) via the Green-Kubo formalism over a broad range of Coulomb coupling strength, $0.1leGammale180$. These simulations address previous discrepancies between computations using equilibrium versus nonequilibrium methods. Analysis of heat flux autocorrelation functions show that very long ($6times10^5omega_p^{-1}$) time series are needed to reduce the noise level to allow $lesssim2%$ accuracy. The new simulations provide the first accurate data for $Gamma lesssim 1$. This enables a test of the traditional Landau-Spitzer theory, which is found to agree with the simulations for $Gamma lesssim 0.3$. It also enables tests of theories to address moderate and strong Coulomb coupling. Two are found to provide accurate extensions to the moderate coupling regime of $Gamma lesssim 10$, but none are accurate in the $Gamma gtrsim 10$ regime where potential energy transport and coupling between mass flow and stress dominate thermal conduction.
The Yukawa one-component plasma (OCP) is a paradigm model for describing plasmas that contain one component of interest and one or more other components that can be treated as a neutralizing, screening background. In appropriately scaled units, inter
Single layer molybdenum disulfide (SLMoS2), a semiconductor possesses intrinsic bandgap and high electron mobility, has attracted great attention due to its unique electronic, optical, mechanical and thermal properties. Although thermal conductivity
The non-equilibrium Greens function (NEGF) method with Buttiker probe scattering self-energies is assessed by comparing its predictions for the thermal boundary resistance with molecular dynamics (MD) simulations. For simplicity, the interface of Si/
The present study addresses the role of molecular non-equilibrium effects in thermal ignition problems. We consider a single binary reaction of the form A+B -> C+C. Molecular dynamics calculations were performed for activation energies ranging betwee
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 short-ran