Structure and Motion in Polymeric Materials

开展固液相热性质、相变动力学、构象无序相、相界应变分子等基础研究。热性能研究将与之前的工作联系起来，这些工作导致了一个数据库，其中包含了大约100种聚合物的Cp， H， S和G信息。实验将通过建造一个10-300 K扫描量热计来继续和扩大，这个仪器在这个国家是没有的。热容理论将通过对骨架振动和非谐性的研究而得到发展。在相变动力学之后，将在超级计算机上使用分子动力学模拟分子成核，并收集进一步的结晶偏析数据。通过热分析（熵评估）、固态核磁共振（运动评估）、x射线和中子散射（结构确定）和计算机模拟（了解旋转再分配）来研究条件晶体。最后，将通过热分析（刚性非晶部分）、固态核磁共振（运动）和能量敏感电子显微镜（刚性分子部分的位置）对应变分子进行定量评估。总的来说，这些项目旨在促进材料的表征和对聚合物以及非聚合物物质的性质和工艺的理解。

Basic research will be carried out on thermal properties of solid and liquid phases, kinetics of phase transitions, conformationally disordered phases, and strained molecules in phase boundaries. Thermal properties research is to connect to prior work that led to a data bank with information on Cp, H, S and G on about a hundred polymers. Experimentation is to continue and expand by building a 10-300 K scanning calorimeter, an instrument not available in this country. The theory of heat capacity is to be advanced by the study of skeletal vibrations and anharmonicity. The kinetics of phase transitions are to be followed by simulation of molecular nucleation on a supercomputer using molecular dynamics, and by collection of further data on segregation on crystallization. Condis crystals are to be studied by thermal analysis (entropy evaluation), solid-state NMR (motion assessment), X-ray and neutron scattering (structure determination) and computer simulation (understanding of roto- repartition). The strained molecules, finally, are to be quantitatively evaluated by thermal analysis (rigid amorphous fraction), solid-state NMR (motion), and energy-sensitive electron microscopy (location of rigid molecule parts). Overall, these projects are designed to advance materials characterization and understanding of properties and processes in polymeric as well an nonpolymeric substances.