An Interaction Potential for Atomic Simulations of Conventional High Explosives (2008)
Heim, Andrew J., Gronbech-Jensen, Niels, Kober, Edward M., Erpenbeck, Jerome J., Germann, Timothy C.
In an effort to develop a chemically reactive interaction potential suitable for application to the study of conventional, organic explosives, we have modified the diatomic AB potential of Brenner et...
Molecular Dynamics Simulations of Detonation Instability (2008)
Heim, Andrew J., Gronbech-Jensen, Niels, Kober, Edward M., Germann, Timothy C.
After making modifications to the Reactive Empirical Bond Order potential for Molecular Dynamics (MD) of Brenner et al. in order to make the model behave in a more conventional manner, we discover...
Avalon: An Alpha/Linux Cluster Achieves 10 Gflops for $150k (2007)
Submitted For The, Michael S. Warren, Timothy C. Germann, Peter S. Lomdahl, David M. Beazley, John K. Salmon
We present two calculations from the disciplines of condensed matter physics and astrophysics. The simulations were performed on a 70 processor DEC Alpha cluster (Avalon) constructed entirely from...
Avalon: An Alpha/Linux Cluster Achieves 10 Gflops for $150k (2007)
Finalist For, Michael S. Warren, Timothy C. Germann, Peter S. Lomdahl, David M. Beazley, John K. Salmon
As an entry for the 1998 Gordon Bell price/performance prize, we present two calculations from the disciplines of condensed matter physics and astrophysics. The simulations were performed on a 70...
The importance of fluctuations in fluid mixing. (2007)
Kadau, Kai, Rosenblatt, Charles, Barber, John L., Germann, Timothy C., Huang, Zhibin, Carl S, Pierre, ...
A ubiquitous example of fluid mixing is the Rayleigh-Taylor instability, in which a heavy fluid initially sits atop a light fluid in a gravitational field. The subsequent development of the unstable...
The Influence of Interatomic Bonding Potentials on Detonation Properties (2006)
Heim, Andrew J., Grønbech-Jensen, Niels, Germann, Timothy C., Kober, Edward M., Holian, Brad Lee, Lomdahl, Peter S.
The dependence of macroscopic detonation properties of a two-dimensional diatomic (AB) molecular system on the fundamental properties of the molecule were investigated. This includes examining the...
Timothy C. Germann, Kai Kadau, Peter S. Lomdahl
We demonstrate the excellent performance and scalability of a classical molecular dynamics code, SPaSM, on the IBM BlueGene/L supercomputer at LLNL. Simulations involving up to 160 billion atoms...
Large-Scale Molecular-Dynamics Simulation of 19 Billion Particles (2004)
Kai Kadau, Timothy C. Germann, Peter S. Lomdahl
We have performed parallel large-scale molecular-dynamics simulations on the QSCmachine at Los Alamos. The good scalability of the SPaSM code is demonstrated together with its capability of efficient...
Dimensional Perturbation Theory on the Connection Machine (1994)
Germann, Timothy C., Herschbach, Dudley R., Boghosian, Bruce M.
A recently developed linear algebraic method for the computation of perturbation expansion coefficients to large order is applied to the problem of a hydrogenic atom in a magnetic field. We take as...
In title 14 and 83 are superscript, [chi alpha] is subscript.
Nanohydrodynamics simulations: An atomistic view of the Rayleigh–Taylor instability
Kadau, Kai, Germann, Timothy C., Hadjiconstantinou, Nicolas G., Lomdahl, Peter S., Dimonte, Guy, Holian, Brad Lee, ...
Nanohydrodynamics simulations, hydrodynamics on the nanometer and nanosecond scale by molecular dynamics simulations for up to 100 million particles, are performed on the latest generation of...
Mitigation strategies for pandemic influenza in the United States
Germann, Timothy C., Kadau, Kai, Longini, Ira M., Macken, Catherine A.
Recent human deaths due to infection by highly pathogenic (H5N1) avian influenza A virus have raised the specter of a devastating pandemic like that of 1917–1918, should this avian virus evolve to...
Nanohydrodynamics simulations: An atomistic view of the Rayleigh–Taylor instability
Kadau, Kai, Germann, Timothy C., Hadjiconstantinou, Nicolas G., Lomdahl, Peter S., Dimonte, Guy, Holian, Brad Lee, ...
Nanohydrodynamics simulations, hydrodynamics on the nanometer and nanosecond scale by molecular dynamics simulations for up to 100 million particles, are performed on the latest generation of...
Mitigation strategies for pandemic influenza in the United States
Germann, Timothy C., Kadau, Kai, Longini, Ira M., Macken, Catherine A.
Recent human deaths due to infection by highly pathogenic (H5N1) avian influenza A virus have raised the specter of a devastating pandemic like that of 1917–1918, should this avian virus evolve to...
The importance of fluctuations in fluid mixing
Kadau, Kai, Rosenblatt, Charles, Barber, John L., Germann, Timothy C., Huang, Zhibin, Carlès, Pierre, ...
A ubiquitous example of fluid mixing is the Rayleigh–Taylor instability, in which a heavy fluid initially sits atop a light fluid in a gravitational field. The subsequent development of the...
Modeling targeted layered containment of an influenza pandemic in the United States
Halloran, M. Elizabeth, Ferguson, Neil M., Eubank, Stephen, Longini, Ira M., Cummings, Derek A. T., Lewis, Bryan, ...
Planning a response to an outbreak of a pandemic strain of influenza is a high public health priority. Three research groups using different individual-based, stochastic simulation models have...