Application of Green–Kubo method to liquid iron shear viscosity calculation
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, no. 2 (2010), pp. 76-78 Cet article a éte moissonné depuis la source Math-Net.Ru

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Green–Kubo method within equilibrium molecular-dynamics simulation was applied to calculate shear viscosity of liquid iron. Simulation-parameters (thermostat strength, number of particles, integration step) dependence of shear viscosity coefficient was obtained.
Keywords: molecular-dynamics simulation, shear viscosity, Green–Kubo method.
Mots-clés : liquid iron
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I. V. Maltsev; A. A. Mirzoev. Application of Green–Kubo method to liquid iron shear viscosity calculation. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, no. 2 (2010), pp. 76-78. http://geodesic.mathdoc.fr/item/VYURM_2010_2_a11/

[1] M. I. Mendelev, S. Han, D. J. Srolovitz et al., “Development of New Interatomic Potentials Appropriate for Crystalline and Liquid Iron”, Phil. Mag. A, 83 (2003), 3977 | DOI

[2] L. Koci, A. B. Belonoshko, R. Ahuja, “Molecular dynamics study of liquid iron under high pressure and high temperature”, Phys. Rev. B, 73 (2006), 224113 | DOI

[3] D. K. Belaschenko, “Primenenie modeli pogruzhennogo atoma k zhidkim metallam. Zhidkoe zhelezo”, Zhurnal fizicheskoi khimii, 80 (2006), 1–11

[4] J. J. Erpenbeck, “Erpenbeck Shear viscosity of the Lennard–Jones fluid near the triple point: Green-Kubo results”, Phys. Rev. A, 38 (1988), 6255 | DOI

[5] J.-P. Ryckaert, A. Bellemans, G. Ciccotti, G. V. Paolini, “Evaluation of transport coefficients of simple fluids by molecular dynamics: omparison of Green-Kubo and nonequilibrium approaches for shear viscosity”, Phys. Rev. A, 39 (1989), 259 | DOI

[6] D. Levesque, L. Verlet, J. Kurkijarvi, “Computer «Experiments» on Classical Fluids. IV: Transport Properties and Time-Correlation Functions of the Lennard–Jones Liquid near Its Triple Point”, Phys. Rev. A, 7 (1973), 1690 | DOI

[7] M. S. Green, “Markoff Random Processes and the Statistical Mechanics of Time-Dependent Phenomena. II: Irreversible Processes in Fluids”, J. Chem. Phys., 22 (1954), 398–413 | DOI | MR

[8] R. Kubo, “Statistical-Mechanical Theory of Irreversible Processes. I: General Theory and Simple Applications to Magnetic and Conduction Problems”, J. Phys. Soc. Jpn., 12 (1957), 570–586 | DOI | MR

[9] I. V. Maltsev, A. A. Mirzoev, “Vyazkost zhidkogo zheleza: molekulyarno-dinamicheskii raschet s potentsialom pogruzhennogo atoma”, Vestnik YuUrGU. Seriya «Matematika. Mekhanika. Fizika», 22(155):1 (2009), 79–83 | MR | Zbl

[10] S. Nose, “A unified formulation of the constant temperature molecular dynamics methods”, J. Chem. Phys., 81 (1984), 511 | DOI | MR

[11] http://lammps.sandia.gov/

[12] E. Helphand, “Transport Coefficients from Dissipation in a Canonical Ensemble”, Phys. Rev., 119 (1960), 1 | DOI | MR

[13] http://supercomputer.susu.ru/computers/ckif_ural/