Postdoctoral Research Associateship in CS&E

CS博士后研究助理

• 批准号: 9108786
• 负责人: Philip Clapp
• 金额: $ 3.8万
• 依托单位: University of Connecticut
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-08-01 至 1994-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9108786&HistoricalAwards=false
• 关键词: Postdoctoral; Research; Associateship; CS&E

A series of Molecular Dynamics simulations on atomic arrays of several different materials of up to one million atoms in order to determine critical dislocation mobility parameters is proposed. These are the Peierls stress (the stress required to initiate dislocation motion), and the temperature dependent damping coefficient (obtained from the dislocation velocity as a function of applied stress and temperature). These quantities are extremely difficult to measure directly, or estimate by theoretical means, yet they are of considerable importance in predicting and understanding the plastic response and fracture behavior of materials. Computer simulation are ideally suited, now that reliable interatomic interactions can be constructed for selected metal systems by means of the Embedded Atom Method. This program would be the first serious attempt to determine these quantities for specific metals by computer simulation methods.//

一系列分子动力学模拟的原子阵列， 几种不同的材料，多达一百万个原子， 提出了确定临界位错迁移率参数的方法。 这些是Peierls应力（启动所需的应力）， 位错运动）和温度依赖阻尼 系数（从位错速度作为函数获得 施加的应力和温度）。 这些数量是非常 很难直接测量或通过理论方法估计， 它们对于预测和理解 材料的塑性响应和断裂行为。 计算机 现在，可靠原子间 对于所选择的金属系统，可以通过以下方式构建相互作用： 嵌入式原子方法 这个项目将是第一个 试图用计算机确定特定金属的这些量 模拟方法。//