Physical mechanisms of the Soret effect in binary Lennard-Jones liquids elucidated with thermal-response calculations von Schelling, Patrick K.

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Connection between partial pressure, volatility, and the Soret effect elucidated using simulations of nonideal supercritical fluid mixtures von Fields, Brandon, Schelling, Patrick K.

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Analysis of ballistic transport and resonance in the α -Fermi-Pasta-Ulam-Tsingou model von Bohm, Nathaniel, Schelling, Patrick K.

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Kapitza conductance of silicon–amorphous polyethylene interfaces by molecular dynamics simulations von Hu, Ming, Keblinski, Pawel, Schelling, Patrick K.

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Role of Surface Chemistry in Grain Adhesion and Dissipation during Collisions of Silica Nanograins von Quadery, Abrar H., Doan, Baochi D., Tucker, William C., Dove, Adrienne R., Schelling, Patrick K.

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Computational methodology for analysis of the Soret effect in crystals: Application to hydrogen in palladium von Schelling, Patrick K., Le, Timothy

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Density functional theory study of water adsorption at reduced and stoichiometric ceria (111) surfaces von Kumar, Santosh, Schelling, Patrick K

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Thermodiffusion in liquid binary alloys computed from molecular-dynamics simulation and the Green-Kubo formalism von Tucker, William C., Schelling, Patrick K.

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Thermal conductivity of A-site doped pyrochlore oxides studied by molecular-dynamics simulation von Schelling, Patrick K.

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Role of electronic-excitation effects in the melting and ablation of laser-excited silicon von Shokeen, Lalit, Schelling, Patrick K.

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Failure of semiclassical models to describe resistivity of nanometric, polycrystalline tungsten films von Choi, Dooho, Liu, Xuan, Schelling, Patrick K., Coffey, Kevin R., Barmak, Katayun

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Analysis of simulation methodology for calculation of the heat of transport for vacancy thermodiffusion von Tucker, William C., Schelling, Patrick K.

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Mechanism of Thermal Transport in Zirconia and Yttria-Stabilized Zirconia by Molecular-Dynamics Simulation von Schelling, Patrick K., Phillpot, Simon R.

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Thermal transport properties of uranium dioxide by molecular dynamics simulations von Watanabe, Taku, Sinnott, Susan B., Tulenko, James S., Grimes, Robin W., Schelling, Patrick K., Phillpot, Simon R.

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Phase behavior and kinetics of a new bond-order potential for silicon von Schelling, Patrick K.

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Thermal resistivity of Si-Ge alloys by molecular-dynamics simulation von Skye, Ashton, Schelling, Patrick K.

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Thermodynamics and kinetics of silicon under conditions of strong electronic excitation von Shokeen, Lalit, Schelling, Patrick K.

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Mechanism of the Cubic-to-Tetragonal Phase Transition in Zirconia and Yttria-Stabilized Zirconia by Molecular-Dynamics Simulation von Schelling, Patrick K., Phillpot, Simon R., Wolf, Dieter

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An empirical potential for silicon under conditions of strong electronic excitation von Shokeen, Lalit, Schelling, Patrick K.

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Vibrations and thermal transport in nanocrystalline silicon von Bodapati, Arun, Schelling, Patrick K., Phillpot, Simon R., Keblinski, Pawel

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