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

技术摘要：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。该提案要求支持扩大和加强加利福尼亚州立大学北岭分校的W.M.凯克计算材料理论中心（CMTC）的计算设施，这是一个少数族裔服务机构。拟开展的研究工作包括：(1)建立NiAl合金磁性与机械强度相互作用的多尺度模型；(2)具有不寻常对称性的电子材料中的新型输运、分数化和拓扑秩序；(3)复杂磁/铁电界面和石墨烯纳米间隙中的自旋输运。我们将发展最先进的多尺度方法，结合量子力学、统计力学和连续介质力学来研究重要的材料问题。该项目将揭示量子磁性和材料力学响应之间的相互作用，这在传统上一直被忽视。该项目还将促进对新型二维电子系统背后的物理现象的理解。广泛的输运问题，如新型纳米磁性、磁电、铁电、压电异质结构和DNA分子中的电荷和自旋输运。概要：本奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。该项目将影响用于飞机发动机的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下一代计算机的新型电阻开关和铁电存储器。单链DNA中用于电子和自旋输运的新型石墨烯纳米孔方法在促进快速DNA测序的新兴技术方面具有重要而独特的潜力。提出的计算技术将应用于解决物理学、材料科学和机械工程等领域的广泛问题。计算代码将免费提供给研究界。研究结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。作为该中心的一个组成部分，CMTC将继续为下一代材料科学家提供跨学科培训，包括来自代表性不足群体的学生，并通过每年的国家科学基金会资助的教师营，为高中教师及其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.