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: 0710523
• 负责人: David Clarke
• 金额: $ 55.3万
• 依托单位: University of California-Santa Barbara
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-09-01 至 2010-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0710523&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为美国，中国和英格兰的参与者之间的联合研究和教育计划，使用合并的实验和模拟方法来发现比当前已知的材料要低得多的材料，并寻求与其他以声子为主导的财产测量值的关联，例如弹性模量和拉曼光谱。 此外，要通过与参与网络的参与教师进行研究合作来发展实验和仿真技能，参与学生的教育的组成部分是通过在其他两个机构中进行研究的一部分研究，使他们对全球科学及其实践有很强的观点，其中一个在中国和英格兰。科学方法的基础是将最先进的模拟与传统的合成和陶瓷的处理以及探索组成变化的组合方法结合起来，以提供更快的发现路径。这些模拟将在佛罗里达大学的西蒙·菲尔普（Simon Phillpot）教授与帝国学院的罗宾·格莱姆斯（Robin Grimes）教授一起在指导下进行。这项研究的实验部分将由加州大学圣塔芭芭拉大学的David Clarke教授和北京Tsinghua University的W. Pan教授进行指导。重点将放在复杂的，氟源性的结构和与钙钛矿相关的分层结构上，因为它们具有固有的能力，可容纳各种不同的离子和离子大小以及它们的结晶性各向异性。 这些共同提供了非常低和 /或强烈各向异性的导热率的前景。 最初，该研究将重点放在Pyrochlore和Delta相化合物以及Ruddleston-Popper阶段，然后使用这些发现来选择更复杂的分层化合物。该奖项由国际科学与工程办公室共同资助