Interface and strain effects on the thermal conductivity of heterostructures: A molecular dynamics study

By A. Abramson, C. Tien, Arun Majumdar. 2002

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Effects of temperature and disorder on thermal boundary conductance at solid-solid interfaces: Nonequilibrium molecular dynamics simulations (2007, methodology): “Both the fixed and periodic boundary condition approaches have been used to measure the thermal conductivity and hBD [34,36,40–43].”
Phonon transport in molecular dynamics simulations: Formulation and thermal conductivity prediction. (2006, methodology): “Subsequent work using this approach in LJ systems has considered the effect of porosity [123], and two-component systems and nanostructures [124–126].”
Ultra-strength materials (2010, background): “The properties could be electronic [7– 10,15,16,20,23], magnetic [13,14,24,25], optical or plasmonic [16–19,21], ionic [26,27] or phononic [3,12,28], thermoelectric [11], catalytic [22], etc.”
Thermal conductivity decomposition and analysis using molecular dynamics simulations. Part I. Lennard-Jones argon (2004, background): “conductivity of amorphous silica [19], zirconia and yttria-stabilized zirconia [26], LJ systems [23, 27 ], and various liquids [16,20].”