Atomistic Simulation of Crystal Nucleation Using Massively Parallel Computer

使用大规模并行计算机进行晶体成核的原子模拟

• 批准号: 9310310
• 负责人: John Perepezko
• 金额: $ 4.62万
• 依托单位: University of Wisconsin-Madison
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-07-15 至 1995-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9310310&HistoricalAwards=false
• 关键词: Atomistic; Simulation; Crystal; Nucleation; Using

9310310 Perepezko A detailed examination of the kinetics and mechanics involved in heterogeneous nucleation will be performed using Monte Carlo-type computer simulations employing massively parallel computers. These simulations will be used as a part of an on-going experimental and theoretical project aimed at determining the effect of interface structure and dynamics on the formation of secondary solid phases at the primary solid-melt interface. These simulations will be an integral part of the study, and results obtained will take an active role in determining future experimental efforts.

[9310310] Perepezko将使用大规模并行计算机进行蒙特卡罗式计算机模拟，详细检查涉及非均相成核的动力学和力学。这些模拟将作为正在进行的实验和理论项目的一部分，旨在确定界面结构和动力学对初级固-熔界面形成二次固相的影响。这些模拟将是研究的一个组成部分，所获得的结果将在确定未来的实验工作中发挥积极作用。