MRI-R2: Acquisition of a Beowulf Cluster for Computational Materials Research and Education

0958596LuThe University Corporation，Northbridge技术概述：该奖项是根据《2009年美国复苏和再投资法案》(公法111-5)资助的。这项提案要求支持扩大和加强加州州立大学北岭分校的W.M.Keck计算材料理论中心(CMTC)的计算设施，该中心是一家为少数族裔服务的机构。建议的研究项目包括：(1)NiAl合金磁性和机械强度相互作用的多尺度模拟；(2)具有特殊对称性的电子材料中新的输运、分馏和拓扑有序；(3)复杂磁性/铁电界面和石墨烯纳米隙中的自旋输运。我们将发展最先进的多尺度方法，将量子力学、统计力学和连续介质力学结合起来，以处理重要的材料问题。该项目将揭示量子磁学和材料机械响应之间的相互作用，这一点传统上被忽视了。该项目还将促进对新的2D电子系统背后的物理现象的理解。一系列广泛的输运问题，如新型纳米磁性、磁电、铁电和压电异质结构和DNA分子中的电荷和自旋输运。该项目将影响航空发动机等先进高温合金的设计，新型磁电子器件的未来发展，拓扑量子计算，以及用于未来一代计算机的新型电阻开关和铁电存储器。新的石墨烯纳米孔方法用于单链DNA中的电子和自旋传输，具有显著和独特的潜力，有助于快速DNA测序的新兴技术。拟议的计算技术将被应用于解决物理、材料科学和机械工程等领域的一系列问题。计算代码将免费提供给研究界。研究成果将被整合到计算材料科学的本科课程和固体物理的研究生课程中。作为该中心不可或缺的一部分，CMTC将继续为包括来自代表性不足群体的学生在内的下一代材料科学家提供跨学科培训，并通过一年一度的NSF资助的教师夏令营为高中教师和他们的学生提供学习材料科学的机会。

0958596LuThe University Corporation, NorthridgeTechnical Summary: This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5). This proposal requests support for expanding and strengthening the computational facilities of the W.M. Keck Computational Materials Theory Center (CMTC) at California State University Northridge, a minority-serving institution. The proposed research programs include: (1) Multiscale modeling of the interplay of magnetism and mechanical strength of NiAl alloys; (2) Novel transport, fractionalization and topological order in electronic materials with unusual symmetries, and (3) Spin transport in complex magnetic/ferroelectric interfaces and graphene nanogaps. We will develop state-of-the-art multiscale methodologies that couple quantum mechanics, statistical mechanics and continuum mechanics to bear on important materials problems. The project will shed light on the interplay between quantum magnetism and mechanical response of materials, which has been traditionally overlooked. The project will also advance the understanding of physical phenomena underlying the novel 2D electron systems. A broad range of transport problems, such as charge and spin transport in novel nanoscale magnetic, magnetoelectric, ferroelectric, and piezoelectric heterostructures and DNA molecules.Layman Summary: This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5). The project will impact on the design of advanced high-temperature alloys used for example in aircraft engines, future development of new magneto-electronic devices, topological quantum computing and new kinds of resistive switches and ferroelectric memories used for future generation of computers. The novel graphene nanopore approach for electron and spin transport in single-stranded DNA has significant and unique potential for contributing to emerging technologies for rapid DNA sequencing. The proposed computational techniques will be applied to address a broad array of problems in physics, materials science, and mechanical engineering, etc. The computational codes will be made freely available to the research community. The research results will be integrated into both an undergraduate course in Computational Materials Science and a graduate course in Solid State Physics. As an integral part of the Center, the CMTC will continue providing interdisciplinary training for the next generation of materials scientists, including students from underrepresented groups, and offering opportunities for high-school teachers and their students, via the annual NSF funded Teacher's Camp, to learn about materials science.