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的蒙特卡罗型计算机模拟对异质成核所涉及的动力学和力学进行详细检查。 这些模拟将用作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体界面处次级固相形成的影响。 这些模拟将成为研究的一个组成部分，获得的结果将在确定未来的实验工作中发挥积极作用。