Structures and Dynamics of Solids Under High Pressures and Other Extreme Conditions

9412187尼科尔这项拟议工作的目标是以足够的精度测量中高压下材料的性质，以测试理论模型的准确性，并将理解转化为新材料。建议中概述的具体研究领域包括：(1)将硫的光化学、化学和相图表征到约20 Gpa；(2)在斯坦福大学同步辐射实验室(SSRL)开发用于高温-高压技术的X射线衍射技术；(3)测定相同取向的氧化物晶体的晶体结构和声速至20 Gpa和1000开尔文，以及氧、硫和硝基苯胺的结构；(4)定义与含能材料有关的对硝基苯胺和硝基芳香族化合物结构和稳定性的分子内和分子间扰动，以及(5)确定将不饱和碳化合物的稳定性限制在5-15 Gpa范围内的反应条件、机理和产物。这项研究的目标是探索新型材料的高压合成。这些高压下的基础化学和物理研究，包括振动动力学、能量学和凝聚相系统的结构，将导致材料在技术感兴趣的领域的发展，如含能材料、聚合物和分子材料，如钻石和富勒烯。

9412187 Nicol The objective of this proposed work is to measure properties of materials at moderately high pressures to tens of gigapascals (GPa) with sufficient precision to test the accuracy of theoretical models and translate the understanding into new materials. Specific areas of research outlined in the proposal include: (1) characterizing the photochemistry, chemistry and phase diagram of sulfur to approximately 20 GPa; (2) developing x-ray diffraction techniques at the Stanford Synchrotron Radiation Laboratory (SSRL) for high temperature-high pressure techniques; (3) determining crystal structures and sound speeds to 20 GPa and 1000 degrees kelvin for the same oriented oxide crystal and structures for oxygen, sulfur, and nitroanilines; (4) defining intra-and inter-molecular perturbations on the structures and stabilities of nitroanilines and nitroaromatics related to energetic materials and (5) determining the conditions, mechanisms and products of reactions which limit the stabilities of unsaturated carbon compounds in the 5-15 GPa range. %%% The goal of this proposed study is to explore the high-pressure synthesis of novel materials. These fundamental chemistry and physics studies under high pressure, to include vibrational dynamics, energetics and structures of condensed-phase systems, will lead to materials developments in areas of technological interest such as energetic materials, polymers, and molecular materials such as diamond and fullerenes.