Materials World Network for the Discovery of Low Conductivity Oxides by Integrated Simulation and Experimentation

通过综合模拟和实验发现低电导率氧化物的材料世界网络

• 批准号: 1032564
• 负责人: David Clarke
• 金额: $ 24.02万
• 依托单位: Harvard University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-09-01 至 2012-02-29
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1032564&HistoricalAwards=false
• 关键词: Materials; World; Network; Discovery; Low

This Materials World Network award is for a joint research and education program between participants in the US, China and England to use a combined experimental and simulation approach to discover materials with much lower thermal conductivity than those currently known, and to seek correlations with other phonon-dominated property measurements, such as elastic moduli and Raman spectra. In addition, to developing both experimental and simulation skills through research collaborations with the participating faculty in the network, an integral part of the education of the participating students is to give them a strong global perspective on science and its practice by performing part of their research studies in two other institutions, one in China and the other in England. The basis of the scientific approach is to combine state-of-the art simulations with both traditional synthesis and processing of ceramics together with combinatorial approaches exploring compositional variations to provide a more rapid discovery path. The simulations will be carried out under the guidance of Professor Simon Phillpot at the University of Florida in conjunction with Professor Robin Grimes at Imperial College. The experimental portions of the research will be guided by Professor David Clarke, at the University of California, Santa Barbara and Professor W. Pan at Tsinghua University, Beijing. The emphasis will be on complex, fluorite-derived structures and perovskite-related layered structures because of their inherent ability to accommodate a wide range of different ions and ionic sizes and their crystalline anisotropy. Together these offer the prospect of very low and / or strongly anisotropic thermal conductivities. Initially, the research will focus on the pyrochlore and delta-phase compounds as well as on the Ruddleston-Popper phases and then use the findings to select more complex layered compounds. This award is co-funded by the Office of International Science and Engineering

该材料世界网络奖是针对美国、中国和英国参与者之间的一项联合研究和教育项目，旨在利用实验和模拟相结合的方法来发现热导率比目前已知材料低得多的材料，并寻求与其他声子主导的性能测量（例如弹性模量和拉曼光谱）的相关性。 此外，为了通过与网络中参与教师的研究合作来发展实验和模拟技能，参与学生教育的一个组成部分是通过在另外两个机构（一个在中国，另一个在英国）进行部分研究，让他们对科学及其实践具有强大的全球视野。科学方法的基础是将最先进的模拟与传统的陶瓷合成和加工相结合，以及探索成分变化的组合方法，以提供更快速的发现路径。模拟将在佛罗里达大学西蒙·菲尔波特教授和帝国理工学院罗宾·格莱姆斯教授的指导下进行。该研究的实验部分将由加州大学圣塔芭芭拉分校的 David Clarke 教授和北京清华大学的 W. Pan 教授指导。重点将放在复杂的萤石衍生结构和钙钛矿相关的层状结构上，因为它们具有适应各种不同离子和离子尺寸的固有能力及其晶体各向异性。 这些共同提供了非常低和/或强各向异性热导率的前景。 最初，该研究将重点关注烧绿石和δ相化合物以及Ruddleston-Popper相，然后利用这些发现来选择更复杂的层状化合物。该奖项由国际科学与工程办公室共同资助