NSF Young Investigator

摘要CTS-9457111 MIT P.I.： 格雷戈里·拉特利奇 这项研究计划的核心是从组成化学结构的第一原理知识中理解和设计聚合物性能的基本目标。 对这种能力的需求表现在许多实际的工业问题中，这些问题涉及高性能聚合物的设计、通过在加工过程中对化学结构和形态的纳米级操纵来控制性能、以及当前的工艺再设计，以从相同的原材料以降低的成本和更少的浪费来生产更好的产品。 这一计划的基础已经奠定在复杂化学系统的统计热力学和计算机辅助方法的发展，以及在X射线衍射，固态核磁共振和扫描探针显微镜等技术的进展，以确定工程设计原理可以可靠地用于开发新技术和新材料的准确性。

ABSTRACT CTS-9457111 MIT P.I.: Gregory Rutledge At the heart of this research initiative lies the fundamental goal of understanding and engineering polymer properties from a knowledge of first principles of constituent chemical structure. The need for such capability is manifested in many practical industrial problems related to the design of high performance polymers, the control of properties through nanoscale manipulation of chemical structure and morphology during processing, and current re-engineering of processes to produce better products from the same raw materials at reduced cost and with less waste. The groundwork for this plan has been laid in the development of statistical thermodynamics for complex chemical systems and the computer-aided methods therein, and in the progress made in such techniques as X-ray diffraction, solid state NMR, and scanning probe microscopy to determine the accuracy with which engineering design principles may be reliably employed to develop new technologies and new materials.