Search Results - "Lee Holian, Brad"

Microscopic View of Structural Phase Transitions Induced by Shock Waves by Kadau, Kai, Germann, Timothy C., Lomdahl, Peter S., Holian, Brad Lee

“…Multimillion-atom molecular-dynamics simulations are used to investigate the shock-induced phase transformation of solid iron. Above a critical shock strength,…”
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Plasticity Induced by Shock Waves in Nonequilibrium Molecular-Dynamics Simulations by Holian, Brad Lee, Lomdahl, Peter S.

“…Nonequilibrium molecular-dynamics simulations of shock waves in three-dimensional 10-million atom face-centered cubic crystals with cross-sectional dimensions…”
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Energy exchange between mesoparticles and their internal degrees of freedom by STRACHAN, Alejandro, HOLIAN, Brad Lee

“…We present mesoscale equations of motion that lead to a thermodynamically accurate description of the energy exchange between mesoparticles and their internal…”
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Nanohydrodynamics Simulations: An Atomistic View of the Rayleigh-Taylor Instability by Kadau, Kai, Germann, Timothy C., Hadjiconstantinou, Nicolas G., Lomdahl, Peter S., Dimonte, Guy, Holian, Brad Lee, Alder, Berni J.

“…Nanohydrodynamics simulations, hydrodynamics on the nanometer and nanosecond scale by molecular dynamics simulations for up to 100 million particles, are…”
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Kinetic moments method for the canonical ensemble distribution by Hoover, William G., Holian, Brad Lee

“…Simultaneous integral control of the kinetic energy 〈 K〉 and its fluctuation 〈 K 2〉 - 〈 K〉 2 gives an extended phase-space distribution consistent with Gibbs'…”
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Dislocation structure behind a shock front in fcc perfect crystals: Atomistic simulation results by GERMANN, Timothy C, TANGUY, Döme, HOLIAN, Brad Lee, LOMDAHL, Peter S, MARESCHAL, Michel, RAVELO, Ramon

“…Large-scale molecular dynamics simulations are used to investigate the dislocation structure behind a shock front in perfect fee crystals. Shock compression in…”
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Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals by Germann, Timothy C., Holian, Brad Lee, Lomdahl, Peter S., Ravelo, Ramon

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Exploring the boundary between atoms and the continuum by computers: a personal history by Holian, Brad Lee

“…In this admittedly personal account of the history of atomistic simulations of fluids (at the atomic or molecular level), I will focus on the competing efforts…”
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Predicting EXAFS signals from shock compressed iron by use of molecular dynamics simulations by Higginbotham, Andrew, Albers, Robert C., Germann, Timothy C., Lee Holian, Brad, Kadau, Kai, Lomdahl, Peter S., Murphy, William J., Nagler, Bob, Wark, Justin S.

“…Simulated EXAFS signals from ab initio models and configurational averaging of molecular dynamics (MD) data are compared for α-Fe, and configurationally…”
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Shock waves in polycrystalline iron by Kadau, Kai, Germann, Timothy C, Lomdahl, Peter S, Albers, Robert C, Wark, Justin S, Higginbotham, Andrew, Holian, Brad Lee

“…The propagation of shock waves through polycrystalline iron is explored by large-scale atomistic simulations. For large enough shock strengths the passage of…”
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Fragmentation by molecular dynamics: the microscopic big bang by HOLIAN, B. L, GRADY, D. E

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Atomistic simulations of shock-induced transformations and their orientation dependence in bcc Fe single crystals by KADAU, Kai, GERMANN, Timothy C, LOMDAHL, Peter S, HOLIAN, Brad Lee

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Resolution of Loschmidt's paradox: the origin of irreversible behavior in reversible atomistic dynamics by HOLIAN, B. L, HOOVER, W. G, POSCH, H. A

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Mesodynamics with implicit degrees for freedom by Lin, Keng-Hua, Holian, Brad Lee, Germann, Timothy C, Strachan, Alejandro

“…Mesoscale phenomena -- involving a level of description between the finest atomistic scale and the macroscopic continuum -- can be studied by a variation on…”
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Orientation dependence in molecular dynamics simulations of shocked single crystals by Germann, TC, Holian, BL, Lomdahl, PS, Ravelo, R

“…We use multimillion-atom molecular dynamics simulations to study shock wave propagation in fcc crystals. As shown recently, shock waves along the direction…”
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Atomistic mechanism for hot spot initiation by Holian, Brad Lee, Germann, Timothy C, Maillet, Jean-Bernard, White, Carter T

“…We propose a picture of the role of shock-wave interactions with microscopic voids that leads to significant heating, sufficient to thermally initiate chemical…”
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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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Heat-flow equation motivated by the ideal-gas shock wave by Holian, Brad Lee, Mareschal, Michel

“…We present an equation for the heat-flux vector that goes beyond Fourier's Law of heat conduction, in order to model shockwave propagation in gases. Our…”
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Thermostatted molecular dynamics: How to avoid the Toda demon hidden in Nosé-Hoover dynamics by Holian, BL, Voter, AF, Ravelo, R

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Burnett-Cattaneo continuum theory for shock waves by Holian, Brad Lee, Mareschal, Michel, Ravelo, Ramon

“…We model strong shock-wave propagation, both in the ideal gas and in the dense Lennard-Jones fluid, using a refinement of earlier work, which accounts for the…”
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