Search Results - "Straub, Galen K."

Molecular Dynamics of Shock Waves in Three-Dimensional Solids: Transition from Nonsteady to Steady Waves in Perfect Crystals and Implications for the Rankine-Hugoniot Conditions by Holian, Brad Lee, Straub, Galen K.

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Analytic methods for the calculation of the electronic structure of solids by STRAUB, G. K, HARRISON, W. A

“…Andersen's atomic-sphere approximation has been utilized with approximations based upon linear-combination of atomic orbitals (LCAO) theory to obtain approx…”
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Thermodynamic properties of solid sodium from quasiharmonic lattice dynamics and molecular dynamics by Swanson, Richard E., Straub, Galen K., Holian, Brad L., Wallace, Duane C.

“…Quasiharmonic-lattice-dynamics and molecular-dynamics calculations were performed on metallic Na from the low-temp. region to above melting at several…”
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Linking Experimental Characterization and Computational Modeling of Grain Growth in Al-Foil by Demirel, M C, Kuprat, A P, George, D C, Straub, G K, Rollett, A D

“…Experimental results on grain boundary properties and grain growth obtained using the Electron Backscattered Diffraction (EBSD) technique are compared with the…”
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Melting of pseudopotential sodium from molecular dynamics by Holian, Brad L., Straub, Galen K., Swanson, Richard E., Wallace, Duane C.

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Ab initio calculation of melting and thermodynamic properties of crystal and liquid aluminum by Straub, GK, Aidun, JB, Wills, JM, Sanchez-Castro, CR, Wallace, DC

“…A first-principles technique for calculating accurate equations of state of metals is illustrated with an application to Al. Results for the thermodynamic…”
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Shock-wave structure via nonequilibrium molecular dynamics and Navier-Stokes continuum mechanics by Holian, Brad Lee, Hoover, William G., Moran, Bill, Straub, Galen K.

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Self-consistent tight-binding theory of elasticity in ionic solids by Straub, GK, Harrison, WA

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Electronic structure and properties of d- and f-shell-metal compounds by HARRISON, W. A, STRAUB, G. K

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Ensemble corrections for the molecular-dynamics ensemble by Wallace, Duane C., Straub, Galen K.

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Erratum: Melting of pseudopotential sodium from molecular dynamics by Holian, Brad L., Straub, Galen K., Swanson, Richard E., Wallace, Duane C.

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Study of the Martensitic Phase Transition in Sodium by Straub, Galen K., Wallace, Duane C.

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Stresses and elastic constants of metals with classical ion motion by WALLACE, D. C, SCHIFERL, S. K, STRAUB, G. K

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High-temperature free-energy expansion for metal fluids by Wallace, Duane C., Holian, Brad L., Johnson, James D., Straub, Galen K.

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Thermodynamic calculations for bcc sodium at high pressures by STRAUB, G. K, WALLACE, D. C

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Temperature dependence of pair correlations and correlation entropy in a fluid by Sanchez-Castro, CR, Aidun, JB, Straub, GK, Wills, JM, Wallace, DC

“…For a system of atoms interacting through a pair potential, the entropy is evaluated by molecular dynamics at temperatures from the liquid to the gas. The pair…”
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Thermodynamic properties of fluid sodium from molecular dynamics by STRAUB, G. K, SCHIFERL, S. K, WALLACE, D. C

“…The high-temp. thermodynamic properties of metallic fluid Na were calculated from melting to a temp. T = 2200K. A pseudopotential model was used that consisted…”
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