Beyond Finite Size Scaling in Solidification Simulations

Journal Article · Thu May 19 04:00:00 EDT 2005 · Physical Review Letters

OSTI ID:884793

Streitz, F H; Glosli, J N; Patel, M V

Although computer simulation has played a central role in the study of nucleation and growth since the earliest molecular dynamics simulations almost 50 years ago, confusion surrounding the effect of finite size on such simulations have limited their applicability. Modeling solidification in molten tantalum on the BlueGene/L computer, we report here on the first atomistic simulation of solidification that verifies independence from finite size effects during the entire nucleation and growth process, up to the onset of coarsening. We show that finite size scaling theory explains the observed maximal grain sizes for systems up to about 8,000,000 atoms. For larger simulations, a cross-over from finite size scaling to more physical size-independent behavior is observed.

• Research Organization: Lawrence Livermore National Laboratory (LLNL), Livermore, CA
• Sponsoring Organization: USDOE
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 884793
• Report Number(s): UCRL-JRNL-213353
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Vol. 96; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ATOMS
COMPUTERIZED SIMULATION
GRAIN SIZE
NUCLEATION
SIMULATION
SOLIDIFICATION
TANTALUM