ITR - (ASE) - (sim): Mesoscale Modeling of Laser Ablation of Polymers

ITR - (ASE) - (sim)：聚合物激光烧蚀的介观建模

• 批准号: 0426604
• 负责人: Barbara Garrison
• 金额: $ 45.93万
• 依托单位: Pennsylvania State Univ University Park
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-09-01 至 2008-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0426604&HistoricalAwards=false
• 关键词: ITR; ASE; sim; Mesoscale; Modeling

Barbara Garrison of Penn State is supported by the Chemistry Division under the Information Technology Research program to develop an innovative simulation protocol to incorporate chemical reaction effects into a united-atom, mesoscale molecular dynamics simulation of laser ablation of polymers. She will include chemical reactions in a probabilistic manner in sufficiently large size and time scales to simulate the photochemical etching of polymers. Industrial applications of photoablation include drilling ink jet nozzles and printed circuit board holes, fabricating micro-fluidic devices, and etching tissue.This research will provide a fundamental understanding of the interplay between photochemical bond-breaking, cross-linking, and heating on the ablation dynamics of polymers. This has direct implications for design of experiments and industrial processes, as well as other simulations including the modeling of ionization effects in the atmosphere, detonation of explosives, and propulsion of rocket engines.

宾夕法尼亚州立大学的Barbara Garrison得到了信息技术研究计划下化学部的支持，以开发一种创新的模拟协议，将化学反应效应纳入聚合物激光烧蚀的联合原子，介观分子动力学模拟。 她将包括在足够大的尺寸和时间尺度的概率方式的化学反应，以模拟聚合物的光化学蚀刻。 光烧蚀的工业应用包括在喷墨喷嘴和印刷电路板上钻孔，制造微流体器件，以及蚀刻组织。本研究将提供对聚合物烧蚀动力学的光化学键断裂，交联和加热之间的相互作用的基本理解。 这对实验和工业过程的设计，以及其他模拟，包括大气中电离效应的建模，爆炸物的爆炸和火箭发动机的推进有直接的影响。