Search Results - "FOILES, S. M"

Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals by O’Brien, C. J., Barr, C. M., Price, P. M., Hattar, K., Foiles, S. M.

“…There has recently been a great deal of interest in employing immiscible solutes to stabilize nanocrystalline microstructures. Existing modeling efforts…”
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Exploration of the mechanisms of temperature-dependent grain boundary mobility: search for the common origin of ultrafast grain boundary motion by O’Brien, C. J., Foiles, S. M.

“…The temperature dependence of grain boundary mobility is complex, varied, and rarely fits ideal Arrhenius behavior. This work presents a series of case studies…”
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Atomistic simulations of elastic deformation and dislocation nucleation during nanoindentation by Lilleodden, E.T., Zimmerman, J.A., Foiles, S.M., Nix, W.D.

“…Nanoindentation experiments have shown that microstructural inhomogeneities across the surface of gold thin films lead to position-dependent nanoindentation…”
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Atomistic underpinnings for orientation selection in alloy dendritic growth by Becker, C A, Olmsted, D, Asta, M, Hoyt, J J, Foiles, S M

“…In dendritic solidification, growth morphologies often display a pronounced sensitivity to small changes in composition. To gain insight into the origins of…”
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Surface step effects on nanoindentation by Zimmerman, J A, Kelchner, C L, Klein, P A, Hamilton, J C, Foiles, S M

“…Atomistic simulation is used to examine nanoindentation of a Au(111) crystal both near and far from a surface step. While the load needed to nucleate…”
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Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials by Thompson, A.P., Swiler, L.P., Trott, C.R., Foiles, S.M., Tucker, G.J.

“…We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form…”
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Kinetic phase field parameters for the Cu–Ni system derived from atomistic computations by Hoyt, J.J., Sadigh, B., Asta, M., Foiles, S.M.

“…In the phase field model of binary solidification the mobility terms which appear in the governing rate equations can be estimated from the liquid diffusion…”
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Unraveling irradiation induced grain growth with in situ transmission electron microscopy and coordinated modeling by Bufford, D. C., Abdeljawad, F. F., Foiles, S. M., Hattar, K.

“…Nanostructuring has been proposed as a method to enhance radiation tolerance, but many metallic systems are rejected due to significant concerns regarding long…”
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Misfit dislocation structure for close-packed metal-metal interfaces by Hamilton, JC, Foiles, SM

“…We describe theoretical calculations applying a 2D Frenkel-Kontorova (FK) model to the heteroepitaxial system copper on Ru(1000). The experimentally observed…”
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First-principles survey of the structure, formation energies, and transition levels of As-interstitial defects in InGaAs by Lee, S. R., Wright, A. F., Modine, N. A., Battaile, C. C., Foiles, S. M., Thomas, J. C., Van der Ven, A.

“…Here, we use density-functional theory and a recently developed bounds-analysis approach to survey the atomic structures, formation energies, and charge-state…”
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Application of the embedded atom method to Ni3Al by Foiles, S. M., Daw, M. S.

“…The embedded atom method [M. S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984) used to calculate phase stability, lattice vibrational frequencies, point…”
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Al(F.C.C.) :Al3Sc (L12) interphase boundary energy calculations by HYLAND, R. W, ASTA, M, FOILES, S. M, ROHRER, C. L

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Application of the embedded-atom method to liquid transition metals by FOILES, S. M

“…The recently developed embedded-atom method (EAM) of Daw and Baskes (Phys. Rev. B, Condens. Matter , 1984, 29, 6443; Phys. Rev. Lett. , 1983, 50, 1285) is…”
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Self-diffusion within the cores of a dissociated glide dislocation in an FCC solid by Hoagland, R.G., Voter, A.F., Foiles, S.M.

“…This paper focuses on a detailed examination of the formation and migration energies of vacancies in dislocation cores. These features were determined by…”
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Order-disorder transition of Au and Pt (110) surfaces: the significance of relaxations and vibrations by DAW, M. S, FOILES, S. M

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Multi-scale modeling of polycrystal plasticity: a workshop report by Campbell, Geoffrey H., Foiles, Stephen M., Huang, Hanchen, Hughes, Darcy A., King, Wayne E., Lassila, David H., Nikkel, Daniel J., de la Rubia, Tomas Diaz, Shu, John Y., Smyshlyaev, Valery P.

“…The workshop on multi-scale modeling of polycrystal plasticity was held on April 9–11, 1997 at the Institute for Mechanics and Materials at the University of…”
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An atomic model of crack tip deformation in aluminum using an embedded atom potential by Hoagland, R. G., Daw, M. S., Foiles, S. M., Baskes, M. I.

“…The atomic configuration at the tip of a mode 1 crack in aluminum is modeled by means of molecular dynamics calculations using an embedded atom potential. This…”
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Calculation of the surface segregation of Ni-Cu alloys with the use of the embedded-atom method by FOILES, S. M

“…The surface composition of Ni--Cu alloys has been calculated as a function of atomic layer, crystal face, and bulk composition at a temp. of 800K. The results…”
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A proposed nuclear nanoprobe with Angstrom resolution by Doyle, B.L., Foiles, S.M., Antolak, A.J., Popa-Simil, L., Brice, D.K.

“…An idea is presented for an entirely new point-projection nuclear microscope that theoretically would have sub-nanometer resolution, approaching one Angstrom…”
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Atomic structure of the (310) twin in niobium : experimental determination and comparison with theoretical predictions by CAMPBELL, G. H, FOILES, S. M, GUMBSCH, P, RÜHLE, M, KING, W. E

“…The atomic structure of the (310) twin in Nb was predicted using interatomic potentials derived from the embedded atom method (EAM), Finnis- Sinclair theory…”
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