Integrated Atomistic and Continuum Simulation Studies of Stress-Defect Interactions in Semiconductors

半导体中应力-缺陷相互作用的集成原子和连续模拟研究

• 批准号: 0331016
• 负责人: Michael Falk
• 金额: --
• 依托单位: Regents of the University of Michigan - Ann Arbor
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-09-01 至 2008-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0331016&HistoricalAwards=false
• 关键词: Integrated; Atomistic; Continuum; Simulation; Studies

This project will develop a new class of continuum modeling methods for simulating the coupling of stress and diffusion. Correctly accounting forcoupling between stress and defects is of crucial importance for addressing fundamental engineering questions that are critical for semiconductor process modeling and predicting optoelectronic device reliability. The most efficient methods for modeling both mechanics and diffusion are continuum methodologies. However, the origin of the coupling between stress fields and concentration fields arises due to changes in bonding on atomic scales. This research will incorporate the physics of defects and their diffusion at the atomic scale into continuum descriptions of mechanics and diffusion. To accomplish this, the project will combine investigations of stress-defect interactions using continuum theories with atomistic simulations of analogous systems. The long-term goal of this research is to introduce a scalable computational methodology that incorporates physics deriveddirectly from atomistic models.

本计画将发展一种新的模拟应力与扩散耦合的连续模拟方法。正确的会计forcoupling之间的应力和缺陷是至关重要的解决基本的工程问题，是关键的半导体工艺建模和预测光电器件的可靠性。对力学和扩散进行建模的最有效方法是连续介质方法。然而，应力场和浓度场之间的耦合的起源是由于原子尺度上键合的变化而产生的。这项研究将把缺陷的物理学和它们在原子尺度上的扩散纳入力学和扩散的连续描述。 为了实现这一点，该项目将结合联合收割机调查的应力缺陷相互作用，使用连续介质理论与原子模拟类似的系统。这项研究的长期目标是引入一种可扩展的计算方法，该方法结合了直接从原子模型导出的物理学。