Search Results - "Schelling, Patrick"

Thermal response functions and second sound in graphene.

Authors: Margolles, Antonio Martinez Schelling, Patrick K.

Source: Journal of Applied Physics; 5/14/2026, Vol. 139 Issue 18, p1-15, 15p

Thermal Transport in Off-Stoichiometric Uranium Dioxide by Atomic Level Simulation.

Authors: Watanabe, Taku Srivilliputhur, Srinivasan G. Schelling, Patrick K.

Source: Journal of the American Ceramic Society; April 2009, Vol. 92 Issue 4, p850-856, 7p

Interfacial thermal conductivity: Insights from atomic level simulation.

Authors: Phillpot, Simon R. Schelling, Patrick K. Keblinski, Pawel

Source: Journal of Materials Science; Jun2005, Vol. 40 Issue 12, p3143-3148, 6p

Mechanism of thermal transport in zirconia and yttria-stabilized zirconia by molecular-dynamics simulation.

Authors: Schelling, Patrick K. Phillpot, Simon R.

Source: Journal of the American Ceramic Society; December 2001, Vol. 84 Issue 12, p2997-3007, 11p

Mechanism of the cubic-to-tetragonal phase transition in zirconia and yttria-stabilized zirconia by molecular-dynamics simulation.

Authors: Schelling, Patrick K. Phillpot, Simon R. Wolf, Dieter

Source: Journal of the American Ceramic Society; July 2001, Vol. 84 Issue 7, p1609-1619, 11p

Connection between partial pressure, volatility, and the Soret effect elucidated using simulations of nonideal supercritical fluid mixtures.

Authors: Fields, Brandon Schelling, Patrick K.

Source: Journal of Chemical Physics. 2/28/2024, Vol. 160 Issue 8, p1-15. 15p.

Physical mechanisms of the Soret effect in binary Lennard-Jones liquids elucidated with thermal-response calculations.

Authors: Schelling, Patrick K.¹ (AUTHOR) patrick.schelling@ucf.edu

Source: Journal of Chemical Physics. 1/28/2023, Vol. 158 Issue 4, p1-13. 13p.

An empirical potential for silicon under conditions of strong electronic excitation.

Authors: Shokeen, Lalit Schelling, Patrick K.

Source: Applied Physics Letters; October 11 2010, Vol. 97 Issue 15, p151907-1-151907-3, 3p

Basis-set optimization for first-principles simulation of liquid water.

Authors: Kumar, Santosh Schelling, Patrick K.

Source: International Journal of Quantum Chemistry. 2007, Vol. 107 Issue 3, p556-566. 11p. 1 Diagram, 2 Charts, 8 Graphs.

Non-local linear-response functions for thermal transport computed with equilibrium molecular-dynamics simulation.

Authors: Fernando, Kevin M. Schelling, Patrick K.

Source: Journal of Applied Physics; 12/7/2020, Vol. 128 Issue 21, p1-12, 12p

Dissipation and plastic deformation in collisions between metallic nanoparticles.

Authors: Tucker, William C. Dove, Adrienne R. Schelling, Patrick K.

Source: Computational Materials Science; Apr2019, Vol. 161, p215-222, 8p

Thermodiffusion in liquid binary alloys computed from molecular-dynamics simulation and the Green-Kubo formalism.

Authors: Tucker, William C. Schelling, Patrick K.

Source: Computational Materials Science. Nov2016, Vol. 124, p54-61. 8p.

Subjects: Binary metallic systems, Thermophoresis, Molecular dynamics, Liquid alloys, Temperature effect

Managing heat for electronics

Authors: Schelling, Patrick K. Shi, Li Goodson, Kenneth E.

Source: Materials Today. Jun2005, Vol. 8 Issue 6, p30-35. 6p.

Subjects: Energy level densities, Electric charge, Transistors, Integrated circuits, Thermal conductivity, Carbon, Nanotubes

Role of electronic-excitation effects in the melting and ablation of laser-excited silicon

Authors: Shokeen, Lalit Schelling, Patrick K.

Source: Computational Materials Science. Feb2013, Vol. 67, p316-328. 13p.

Subjects: Silicon, Laser ablation, Electronic excitation, Temperature effect, Electron distribution, Phase transitions, Thermal analysis

Molecular-dynamics approach for determining the vacancy heat of transport

Authors: McDargh, Zachary Schelling, Patrick K.

Source: Computational Materials Science. Jun2011, Vol. 50 Issue 8, p2363-2370. 8p.

Subjects: Molecular dynamics, Heat transfer, Point defects, Thermodynamic equilibrium, Temperature effect, Force & energy, Energy dissipation, Entropy

Thermal conductivity of A-site doped pyrochlore oxides studied by molecular-dynamics simulation

Authors: Schelling, Patrick K.¹ pschell@mail.ucf.edu

Source: Computational Materials Science. Apr2010, Vol. 48 Issue 2, p336-342. 7p.

Subjects: Thermal conductivity, Oxides, Molecular dynamics, Simulation methods & models, Solid solutions, Substitution reactions, Point defects, Scattering (Physics)

Phase behavior and kinetics of a new bond-order potential for silicon

Authors: Schelling, Patrick K.¹ pschell@mail.ucf.edu

Source: Computational Materials Science. Dec2008, Vol. 44 Issue 2, p274-279. 6p.

Subjects: Silicon research, Phase transitions, Thermodynamics, Chemical kinetics, Molecular dynamics, Simulation methods & models, Thermodynamic potentials

Molecular-dynamics calculation of the vacancy heat of transport.

Authors: Schelling, Patrick K. Ernotte, Jacques Shokeen, Lalit et al.

Source: Journal of Applied Physics; 2014, Vol. 116 Issue 2, p023506-1-023506-10, 10p, 5 Charts, 8 Graphs

Analysis of simulation methodology for calculation of the heat of transport for vacancy thermodiffusion.

Authors: Tucker, William C. Schelling, Patrick K.

Source: Journal of Applied Physics; 2014, Vol. 116 Issue 2, p023504-1-023504-10, 10p, 2 Charts, 7 Graphs

Failure of semiclassical models to describe resistivity of nanometric, polycrystalline tungsten films.

Authors: Dooho Choi Xuan Liu Schelling, Patrick K. et al.

Source: Journal of Applied Physics; 2014, Vol. 115 Issue 10, p104308-1-104308-7, 7p, 1 Diagram, 2 Charts, 5 Graphs