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Lukes, J. R. Li, D. Y. Liang, X.-G. and Tien, C.-L. 2000. Molecular Dynamics Study of Solid Thin-Film Thermal Conductivity. Journal of Heat Transfer, Vol. 122, Issue. 3, p. 536.
Keblinski, P Phillpot, S.R Choi, S.U.S and Eastman, J.A 2002. Mechanisms of heat flow in suspensions of nano-sized particles (nanofluids). International Journal of Heat and Mass Transfer, Vol. 45, Issue. 4, p. 855.
McGaughey, Alan and Kaviany, Massoud 2002. Molecular Dynamics Calculations of the Thermal Conductivity of Silica Based Crystals.
Picu, R. C. Borca-Tasciuc, T. and Pavel, M. C. 2003. Strain and size effects on heat transport in nanostructures. Journal of Applied Physics, Vol. 93, Issue. 6, p. 3535.
Chen, Yunfei Li, Deyu Yang, Juekuan Wu, Yonghua Lukes, Jennifer R. and Majumdar, Arun 2004. Molecular dynamics study of the lattice thermal conductivity of Kr/Ar superlattice nanowires. Physica B: Condensed Matter, Vol. 349, Issue. 1-4, p. 270.
McGaughey, A.J.H. and Kaviany, M. 2004. Thermal conductivity decomposition and analysis using molecular dynamics simulations. International Journal of Heat and Mass Transfer, Vol. 47, Issue. 8-9, p. 1799.
McGaughey, A.J.H. and Kaviany, M. 2004. Thermal conductivity decomposition and analysis using molecular dynamics simulations. Part I. Lennard-Jones argon. International Journal of Heat and Mass Transfer, Vol. 47, Issue. 8-9, p. 1783.
Tretiakov, Konstantin V. and Scandolo, Sandro 2004. Thermal conductivity of solid argon from molecular dynamics simulations. The Journal of Chemical Physics, Vol. 120, Issue. 8, p. 3765.
Chen, Yunfei Lukes, Jennifer R. Li, Deyu Yang, Juekuan and Wu, Yonghua 2004. Thermal expansion and impurity effects on lattice thermal conductivity of solid argon. The Journal of Chemical Physics, Vol. 120, Issue. 8, p. 3841.
Bhowmick, Somnath and Shenoy, Vijay B. 2006. Effect of strain on the thermal conductivity of solids. The Journal of Chemical Physics, Vol. 125, Issue. 16, p. 164513.
Lyver, John W. and Blaisten-Barojas, Estela 2006. Computational study of heat transport in compositionally disordered binary crystals. Acta Materialia, Vol. 54, Issue. 17, p. 4633.
McGaughey, A.J.H. and Kaviany, M. 2006. Vol. 39, Issue. , p. 169.
Li, Ju 2006. Spectral Method for Thermal Conductivity Calculations. Journal of Computer-Aided Materials Design, Vol. 12, Issue. 2-3, p. 141.
Kaburaki, Hideo Li, Ju Yip, Sidney and Kimizuka, Hajime 2007. Dynamical thermal conductivity of argon crystal. Journal of Applied Physics, Vol. 102, Issue. 4, p. 043514.
Shen, HaiJun 2009. Thermal-conductivity and tensile-properties of BN, SiC and Ge nanotubes. Computational Materials Science, Vol. 47, Issue. 1, p. 220.
Luo, Tengfei and Lloyd, John R. 2010. Equilibrium Molecular Dynamics Study of Lattice Thermal Conductivity/Conductance of Au-SAM-Au Junctions. Journal of Heat Transfer, Vol. 132, Issue. 3, p. 032401.
Chernatynskiy, Aleksandr and Phillpot, Simon R. 2010. Evaluation of computational techniques for solving the Boltzmann transport equation for lattice thermal conductivity calculations. Physical Review B, Vol. 82, Issue. 13,
Ju, Shenghong and Liang, Xingang 2010. Investigation of argon nanocrystalline thermal conductivity by molecular dynamics simulation. Journal of Applied Physics, Vol. 108, Issue. 10, p. 104307.
Liu, Ya Dong Bi, Ke Dong Chen, Yun Fei and Chen, Min Hua 2011. Thermal Transport through Solid-Solid Interface with an Interlayer. Key Engineering Materials, Vol. 483, Issue. , p. 750.
Howell, P. C. 2012. Comparison of molecular dynamics methods and interatomic potentials for calculating the thermal conductivity of silicon. The Journal of Chemical Physics, Vol. 137, Issue. 22, p. 224111.
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Following the Green-Kubo formalism in linear response theory, the lattice thermal conductivity of solid argon is determined by using classical molecular dynamics simulation to calculate the heat current correlation function. Comparing the absolute conductivities obtained using the Lennard-Jones potential with experiments, we find the predicted results to uniformly underestimate the measurements in magnitude, whereas the calculated temperature dependence corresponds well with the data. The temporal behavior of the heat current autocorrelation function shows that while a single exponential decay description is appropriate at elevated temperatures, below the half of the Debye temperature, the heat current relaxation clearly consists of two stages, an initial rapid decay associated with local dynamics followed by a slower component associated with the dynamics of lattice vibrations (phonons).
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