Ballistic energy transport in molecules

化学系的化学结构、动力学和机理(CSDM-A)项目获得这一奖项，资助杜兰大学的伊戈尔·鲁布佐夫教授和亚历山大·伯林教授研究分子中能量的异常快速运动，即所谓的“弹道能量传输”。最常见的情况是，能量(作为热)以热扩散的形式缓慢地通过材料传输。鲁布佐夫教授的研究小组发现了储存在长分子中的能量迅速转移到遥远位置的系统。这种异常的能量转移可能会帮助科学家发现具有更好热学性能的新材料。参与该项目的研究生和本科生将接受激光和光学科学方面的培训。PI和共同PI在他们的校园里参加了许多教育活动，包括杜兰LSAMP暑期本科生研究培训计划，该计划为来自科学研究不足群体的本科生提供真实的研究经验。伊戈尔·鲁布佐夫教授和亚历山大·伯林教授以及他们各自的研究小组将把超快激光光谱学(弛豫辅助二维红外光谱学)与理论建模相结合，以更好地理解分子显著距离上非常快速的能量传输是如何发生的。这些科学家希望回答的一些问题包括：(1)决定弹道运输速度和效率的主要因素是什么？温度如何影响弹道运输的速度？材料的三维结构如何影响弹道运输的速度？影响输运的因素包括一级和二级链结构、链结构、源振动模式的性质和能量以及温度。这些研究将有助于建立最有可能的运输机制，并因此可能提出减少弹道能源运输损失的方法。弹道传输机制可能必须被认为是分子中能量传输的主要组成部分，特别是对于具有重复单元的官能团的分子来说，这是非常常见的。因此，这项研究有可能在非常基本的水平上开发新的方法来理解分子中的振动能量传输，并可能对物理和材料科学和工程产生广泛的影响。

With this award, the Chemical Structure, Dynamics and Mechanisms (CSDM-A) Program in the Division of Chemistry is funding Professors Igor Rubtsov and Alexander Burin of Tulane University to investigate unusually rapid movement of energy in molecules, so-called "ballistic energy transport." Most often energy (as heat) is transported slowly through materials as thermal diffusion. Professor Rubtsov's research group has discovered systems where energy deposited in long molecules is rapidly transferred to distant locations. This anomalous transfer of energy may help scientists discover new materials with improved thermal properties. The graduate and undergraduate students working on this project will receive training in laser and optical science. The PI and co-PI participate in a number of educational activities on their campus, including the Tulane LSAMP Summer Undergraduate Research Training Program, which provides undergraduates students from groups underrepresented in science with authentic research experiences.Professors Igor Rubtsov and Alexander Burin and their respective research groups will combine ultrafast laser spectroscopy (relaxation-assisted two-dimensional infrared spectroscopy) combined with theoretical modeling to develop a better understanding of how the very rapid energy transport over molecularly-significant distances occurs. Some of the questions that these scientists hope to answer include: (1) What are the main factors determining the speed and efficiency of ballistic transport? How does temperature effect the speed of ballistic transport? How does the three dimensional structure of a material effect the speed of ballistic transport? Among the factors affecting transport to be examined are the primary and secondary chain structure, chain architecture, the nature and energy of the source vibrational mode, and the temperature. These studies will help to establish the most likely transport mechanisms and,as such, will likely suggest ways of reducing losses for ballistic energy transport. The ballistic transport mechanism may have to be considered as a principal component of energy transport in molecules, especially for molecules featuring functional groups with repeating units, which are very common. Thus, this study has the potential of developing new ways of understanding vibrational energy transport in molecules at a very fundamental level and may have a broad impact on physical and materials science and engineering.