BRIGE: Integrated Molecular Dynamics Simulations for Interactive Engineered Atomic-Scale Systems

BRIGE：交互式工程原子级系统的集成分子动力学模拟

• 批准号: 1032653
• 负责人: Lilian Davila
• 金额: $ 17.5万
• 依托单位: University of California - Merced
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-09-01 至 2013-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1032653&HistoricalAwards=false
• 关键词: BRIGE; Integrated; Molecular; Dynamics; Simulations

This Broadening Participation Research Initiation Grants in Engineering (BRIGE) grant provides funding for the development of new capabilities of an existing interactive virtual reality environment that will be used for research and teaching materials science. The enhanced tool will include speedy molecular dynamics simulations using well-validated mathematical expressions resulting in realistic models and the ability to immediately visualize and analyze data in the developed environment. This low-cost environment involves a display, sensors, computers and immersive technology. The improved interactive environment and its visualization and modeling applications will be integrated into undergraduate materials science courses and summer research opportunities. In addition, the developed tool will be adaptable to larger interactive facilities to promote collaborative projects via existing partnerships and research programs at UC Merced and associate universities.The expected benefits of this research will be improvements in materials science research and teaching, and strengthening of learning outcomes. Specifically, the results of this project will lead to approximately 100x faster computing using graphical processors over conventional processors at a relatively low cost. This will help build a computational materials science infrastructure that will allow problems to be solved more efficiently and encourage intellectual inquiry. The adaptability component of this research will help facilitate interdisciplinary projects and develop interactive learning tools for science and engineering, as well as assist future investigators to address leading research priorities that will benefit society. As a teaching tool, the enhanced environment will be used in lower- and upper-division materials science courses. This will lead to enhancement of the materials science curriculum with new kinesthetic methods that promote "learning by doing". This work will also help to expand the population of undergraduate role models, and to retain and engage them in engineering research because materials science will become more accessible.

这项扩大工程参与研究启动资助 (BRIGE) 资助为现有交互式虚拟现实环境的新功能的开发提供资金，该环境将用于研究和教材科学。 增强的工具将包括使用经过充分验证的数学表达式进行快速分子动力学模拟，从而产生真实的模型，并能够在开发的环境中立即可视化和分析数据。 这种低成本环境涉及显示器、传感器、计算机和沉浸式技术。 改进的交互环境及其可视化和建模应用程序将被整合到本科材料科学课程和暑期研究机会中。 此外，开发的工具将适用于更大的互动设施，通过加州大学默塞德分校和联校的现有合作伙伴关系和研究项目来促进合作项目。这项研究的预期好处将是改进材料科学研究和教学，并加强学习成果。 具体来说，该项目的结果将以相对较低的成本使使用图形处理器的计算速度比传统处理器快约 100 倍。 这将有助于建立计算材料科学基础设施，从而更有效地解决问题并鼓励智力探究。 这项研究的适应性部分将有助于促进跨学科项目并开发科学和工程的交互式学习工具，并协助未来的研究人员解决造福社会的领先研究重点。 作为一种教学工具，增强环境将用于低年级和高年级材料科学课程。 这将通过促进“边做边学”的新动觉方法来加强材料科学课程。 这项工作还将有助于扩大本科生榜样的数量，并保留他们并让他们参与工程研究，因为材料科学将变得更容易获得。