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

该材料世界网络奖是针对美国，中国和英国参与者之间的联合研究和教育计划，使用实验和模拟相结合的方法来发现热导率比目前已知的材料低得多的材料，并寻求与其他声子主导的性质测量的相关性，例如弹性模量和拉曼光谱。 此外，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，为他们提供强大的全球科学视野及其实践。科学方法的基础是将联合收割机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途径。模拟将在佛罗里达大学的Simon Phillpot教授和帝国理工学院的Robin Grimes教授的指导下进行。这项研究的实验部分将由圣巴巴拉的加州大学的大卫克拉克教授和W。潘石屹在清华大学，北京。重点将放在复杂的，萤石衍生的结构和钙钛矿相关的层状结构，因为它们的内在能力，以适应各种不同的离子和离子尺寸和它们的晶体各向异性。 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，研究将集中在烧绿石和δ相化合物以及Ruddleston-Popper相，然后使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。

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