Search Results - "Phillpot, S. R."

Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation by Wolf, D, Yamakov, V, Phillpot, S. R, Mukherjee, A. K, Gleiter, H

“…Molecular-dynamics simulations have recently been used to elucidate the transition with decreasing grain size from a dislocation-based to a…”
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Deformation of nanocrystalline materials by molecular-dynamics simulation: relationship to experiments? by Wolf, D., Yamakov, V., Phillpot, S.R., Mukherjee, A., Gleiter, H.

“…We review the results of recent molecular-dynamics simulations of the structure and deformation behavior of nanocrystalline materials, i.e., polycrystalline…”
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Mechanisms of heat flow in suspensions of nano-sized particles (nanofluids) by Keblinski, P, Phillpot, S.R, Choi, S.U.S, Eastman, J.A

“…Recent measurements on nanofluids have demonstrated that the thermal conductivity increases with decreasing grain size. However, such increases cannot be…”
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Effect of liquid layering at the liquid–solid interface on thermal transport by Xue, L, Keblinski, P, Phillpot, S.R, Choi, S.U.-S, Eastman, J.A

“…Using non-equilibrium molecular dynamics simulations in which a temperature gradient is imposed, we study how the ordering of the liquid at the liquid–solid…”
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Grain-boundary diffusion creep in nanocrystalline palladium by molecular-dynamics simulation by Yamakov, V., Wolf, D., Phillpot, S.R., Gleiter, H.

“…Molecular-dynamics (MD) simulations of fully three-dimensional (3D), model nanocrystalline face-centered cubic metal microstructures are used to study…”
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Length-scale effects in the nucleation of extended dislocations in nanocrystalline Al by molecular-dynamics simulation by Yamakov, V., Wolf, D., Salazar, M., Phillpot, S.R., Gleiter, H.

“…The nucleation of extended dislocations from the grain boundaries in nanocrystalline aluminum is studied by molecular-dynamics simulation. The length of the…”
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Dislocation–dislocation and dislocation–twin reactions in nanocrystalline Al by molecular dynamics simulation by Yamakov, V., Wolf, D., Phillpot, S.R., Gleiter, H.

“…We use massively parallel molecular dynamics simulations of polycrystal plasticity to elucidate the intricate dislocation dynamics that evolves during the…”
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Prediction of high-temperature point defect formation in TiO2 from combined ab initio and thermodynamic calculations by He, J., Behera, R.K., Finnis, M.W., Li, X., Dickey, E.C., Phillpot, S.R., Sinnott, S.B.

“…A computational approach that integrates ab initio electronic structure and thermodynamic calculations is used to determine point defect stability in rutile…”
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Friction Properties of Carbon Nano-Onions from Experiment and Computer Simulations by Joly-Pottuz, L, Bucholz, E. W, Matsumoto, N, Phillpot, S. R, Sinnott, S. B, Ohmae, N, Martin, J. M

“…The carbon nano-onion can be considered as a new kind of interesting lubricating nanoparticle. Used as lubricant additives, carbon nano-onions lead to a strong…”
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Stress-enhanced grain growth in a nanocrystalline material by molecular-dynamics simulation by Haslam, A.J., Moldovan, D., Yamakov, V., Wolf, D., Phillpot, S.R., Gleiter, H.

“…Molecular-dynamics simulations are used to elucidate the coupling between grain growth and grain-boundary diffusion creep in a polycrystal consisting of 25…”
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Effects of edge dislocations on thermal transport in UO2 by Deng, B., Chernatynskiy, A., Shukla, P., Sinnott, S.B., Phillpot, S.R.

“…Molecular-dynamics simulations are used to characterize the effects of dislocations on the thermal transport properties of UO2. Microstructures with various…”
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Mechanisms of grain growth in nanocrystalline fcc metals by molecular-dynamics simulation by Haslam, A.J, Phillpot, S.R, Wolf, D, Moldovan, D, Gleiter, H

“…To elucidate the mechanisms of grain growth in nanocrystalline fcc metals, we have performed fully three-dimensional molecular-dynamics simulations with a…”
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Effect of inversion on thermoelastic and thermal transport properties of MgAl2O4 spinel by atomistic simulation by Shukla, P., Chernatynskiy, A., Nino, J. C., Sinnott, S. B., Phillpot, S. R.

“…MgAl 2 O 4 is commonly found in the normal spinel structure with the Mg 2+ ions located in tetrahedral sites and the Al 3+ ions occupying octahedral sites. We…”
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Grain-boundary activated pyramidal dislocations in nano-textured Mg by molecular dynamics simulation by Kim, D.-H., Ebrahimi, F., Manuel, M.V., Tulenko, J.S., Phillpot, S.R.

“…► First- and second-order pyramidal 〈 c + a〉 slip occurs in Mg. ► The first-order edge dislocation can take place with a long stacking fault (SF). ► The…”
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Optimum pyrochlore compositions for low thermal conductivity by Schelling ||, P. K., Phillpot ¶, S. R., Grimes, R. W.

“…The thermal conductivities of 40 pyrochlores with the composition A 2 B 2 O 7 (A = La, Pr, Nd, Sm, Eu, Gd, Y, Er or Lu; B = Ti, Mo, Sn, Zr or Pb) are predicted…”
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Theory of diffusion-accommodated grain rotation in columnar polycrystalline microstructures by Moldovan, D., Wolf, D., Phillpot, S.R.

“…A dynamical theory of grain rotation in columnar polycrystalline microstructures is developed based on the theory of diffusion-accommodated grain-boundary…”
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Thermal transport properties of MgO and Nd2Zr2O7 pyrochlore by molecular dynamics simulation by SHUKLA, P, WATANABE, T, NINO, J. C, TULENKO, J. S, PHILLPOT, S. R

“…Atomic level simulation methods are used to determine the thermal conductivity of magnesium oxide, MgO, and pyrochlore structured neodymium zirconate,…”
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Deformation mechanism crossover and mechanical behaviour in nanocrystalline materials by Yamakov, V., Wolf, D., Phillpot, S. R., Mukherjee, A. K., Gleiter, H.

“…We use molecular dynamics simulations to elucidate the transition with decreasing grain size from a dislocation- to a grain-boundary-based deformation…”
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Anisotropic thermal properties in orthorhombic perovskites by Steele, B., Burns, A. D., Chernatynskiy, A., Grimes, R. W., Phillpot, S. R.

“…The structure, elastic properties, thermal expansion, and thermal conductivity of the orthorhombic-structured A 3+ B 3+ O 3 perovskites are determined using…”
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Optimized many body potential for fcc metals by Yu, J., Sinnott, S.B., Phillpot, S.R.

“…A formalism for optimized many body (OMB) potentials to describe the interatomic interactions in fcc metals is described. The OMB approach is based on the…”
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