Simulating Solidification in Metals at High Pressure: The Drive to Petascale Computing

Streitz, F; Glosli, J; Patel, M

doi:10.1088/1742-6596/46/1/037

Simulating Solidification in Metals at High Pressure: The Drive to Petascale Computing

Conference · Wed Jul 26 04:00:00 EDT 2006

DOI:https://doi.org/10.1088/1742-6596/46/1/037· OSTI ID:898463

Streitz, F; Glosli, J; Patel, M

We investigate solidification in metal systems ranging in size from 64,000 to 524,288,000 atoms on the IBM BlueGene/L computer at LLNL. Using the newly developed ddcMD code, we achieve performance rates as high as 103 TFlops, with a performance of 101.7 TFlop sustained over a 7 hour run on 131,072 cpus. We demonstrate superb strong and weak scaling. Our calculations are significant as they represent the first atomic-scale model of metal solidification to proceed, without finite size effects, from spontaneous nucleation and growth of solid out of the liquid, through the coalescence phase, and into the onset of coarsening. Thus, our simulations represent the first step towards an atomistic model of nucleation and growth that can directly link atomistic to mesoscopic length scales.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 898463

Report Number(s):: UCRL-CONF-223218

Country of Publication:: United States

Language:: English

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75 CONDENSED MATTER PHYSICS
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Simulating Solidification in Metals at High Pressure: The Drive to Petascale Computing

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