Molecule Liftoff from Surfaces

分子从表面剥离

• 批准号: 0456514
• 负责人: Barbara Garrison
• 金额: $ 70.8万
• 依托单位: Pennsylvania State Univ University Park
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-05-01 至 2010-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0456514&HistoricalAwards=false
• 关键词: Molecule; Liftoff; Surfaces

Barbara Garrison of Pennsylvania State University is supported by the Theoretical and Computational Chemistry program for research designed to extract the fundamental physics and chemistry which gives rise to ejection of molecules and ions in keV particle bombardment, e.g., secondary ion mass spectrometry (SIMS). In a project which builds on prior NSF-supported work involving atomistic molecular dynamics simulations, Garrison is developing a coarse-grained representation of molecular solids in order to describe the mesoscopic motion induced by C60 bombardment. In a second project, an innovative simulation protocol is being developed which will delinate the important quantum mechanical events, ionization and chemical reactions, in the water ice system, expected to be important for interpreting cell imaging experiments. The work is having a broad impact on our understanding of SIMS and related experimental techniques and is expected to provide insights into the nature of complex systems.

宾夕法尼亚州立大学的芭芭拉·加里森得到了理论和计算化学项目的支持，该项目旨在研究提取在keV粒子轰击中引起分子和离子喷射的基本物理和化学，例如，二次离子质谱（西姆斯）。 在一个建立在先前NSF支持的涉及原子分子动力学模拟的工作基础上的项目中，Garrison正在开发分子固体的粗粒度表示，以描述C60轰击引起的介观运动。 在第二个项目中，正在开发一种创新的模拟协议，该协议将描述水冰系统中重要的量子力学事件、电离和化学反应，预计这对解释细胞成像实验很重要。 这项工作对我们理解西姆斯和相关实验技术产生了广泛的影响，并有望为复杂系统的本质提供见解。