Elementary vibrational model for transport properties of dense fluids

Khrapak, S.A.

doi:10.1016/j.physrep.2023.11.004

Cited by 10 publications

(1 citation statement)

References 229 publications

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“…Numerous confirmations of the applicability of the microscopic SE relation in the form of eq 3 to dense simple model fluids have been reported. 10 Coulomb (one-component plasma) and screened Coulomb (complex or dusty plasma) fluids of charged particles, 11−15 soft (inverse power) repulsive particle fluid, 16 Lennard-Jones (LJ) fluid, 9,15,17,18 Weeks−Chandler−Andersen fluid, 19 and the hard sphere fluid. 15,19,20 As it becomes more and more evident, the applicability of SE relation is not limited to the simplest pointlike and monatomic models with isotropic interactions.…”

Section: Methodsmentioning

confidence: 99%

System Size Dependence of the Diffusion Coefficients in MD Simulations: A Simple Correction Formula for Pure Dense Fluids

Khrapak

2024

J. Phys. Chem. B

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A practical correction formula relating the self-diffusion coefficient of dense liquids from molecular dynamics (MD) simulations with periodic boundary conditions to the self-diffusion coefficient in the thermodynamic limit is discussed. This formula applies to pure dense fluids and has a very simple form D = D 0 (1 − γN −1/3 ), where D 0 is the self-diffusion coefficient in the thermodynamic limit and N is the number of particles in the simulation. The numerical factor γ is dependent on the geometry of the simulation cell. Remarkably, γ ≃ 1.0 is the most popular cubic geometry. The success of this formula is supported by results from MD simulations, including very recent simulations with a "magic" simulation geometry.

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Section: Methodsmentioning

confidence: 99%

System Size Dependence of the Diffusion Coefficients in MD Simulations: A Simple Correction Formula for Pure Dense Fluids

Khrapak

2024

J. Phys. Chem. B

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Viscosity in simple fluids: A different perspective based on the thermodynamic dimension

Ghandili

2024

Fluid Phase Equilibria

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Non-equilibrium molecular dynamics study of heat transfer parameters in two-dimensional Yukawa systems under uniform magnetic field

Djienbekov,

Bastykova,

Ramazanov

et al. 2024

Sci Rep

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The present study explores the effect of a magnetic field on the thermal conductivity of two-dimensional (2D) Yukawa systems in a wide range of system parameters using the non-equilibrium molecular dynamic method (NEMD). We consider an external magnetic field with $$\Omega =\omega _c/\omega _p\le 1$$ Ω = ω c / ω p ≤ 1 (with $$\Omega$$ Ω being the ratio of the cyclotron frequency to plasma frequency) and the coupling parameter values in the range $$1\le \Gamma \le 100$$ 1 ≤ Γ ≤ 100 (with $$\Gamma$$ Γ being the ratio of the Coulomb interaction energy at mean inter-particle distance to the thermal energy of particles). The results show that an external uniform magnetic field results in the reduction of the thermal conductivity at the considered values of the coupling parameter $$\Gamma$$ Γ . Additionally, we found that the effect of the magnetic field on thermal conduction is weaker at larger values of the system coupling parameter. To ensure that calculated results for the thermal conductivity are accurate and reliable, we performed a detailed investigation of the convergence of the results with respect to simulation parameters in NEMD with a strong external magnetic field. We believe that the presented results will serve as useful benchmark data for the theoretical models of (2D) Yukawa systems.

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Elementary vibrational model for transport properties of dense fluids

Cited by 10 publications

References 229 publications

System Size Dependence of the Diffusion Coefficients in MD Simulations: A Simple Correction Formula for Pure Dense Fluids

System Size Dependence of the Diffusion Coefficients in MD Simulations: A Simple Correction Formula for Pure Dense Fluids

Viscosity in simple fluids: A different perspective based on the thermodynamic dimension

Non-equilibrium molecular dynamics study of heat transfer parameters in two-dimensional Yukawa systems under uniform magnetic field

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