GOALI: Nanoscale Testing and Molecular Modeling of Aging in Asphalt

沥青老化是一个复杂的过程，通过氧化、弱键的形成/断裂(化学老化)、类似分子的有序化、由于温度、压力、空气和其他环境因素导致的挥发物的挥发(物理老化)等过程，沥青结合料的结构和组成经历了重要的改变。这些改进对粘结剂和混合料有显著影响吗？机械性能，如硬度、线束、附着力和内聚力。了解结构修改对沥青粘结剂和混合料有何影响？机械性能仍未被研究，这主要是因为这些修饰发生在原子到分子的尺度上。这项研究提供了一种新的方法，通过纳米级的实验和先进的分子建模来淡化沥青分子结构和力学行为之间的联系。在这项研究中，除了其他传统方法外，分子动力学模型将被开发、验证并用于预测实验室中测定的流变性和力学性质。该项目是沥青化学和力学的集成，将被整合到一个将提高工程教育质量的教育项目中。分子动力学模拟将通过行业合作得到支持，这将加强皮？S正在进行的研究活动，并使该行业从扩大其产品应用中受益。这项研究可能会在分子水平上对老化有一个普遍的理解，这适用于广泛的建筑材料。研究和教学的整合将通过让研究生参与、增加工程教育的多样性、向高中生提供服务、开发新课程和广泛传播研究成果来解决。

Asphalt aging is a complex process in which asphalt binders undergo important modifications of their structure and composition through processes such as oxidation, formation/breaking of weak bonds (chemical aging), ordering of similar molecules, evaporation of volatiles (physical aging) due to temperature, pressure, air, and other environmental factors. These modifications have dramatic effects on binder and mixtures? mechanical properties such as stiffness, harness, adhesion, and cohesion. Understanding how and what structural modifications affect the asphalt binder and mixtures? mechanical properties has remained unexplored, largely because these modifications occur at the atomic to molecular scales. This research offers a novel approach to understating the link between asphalt molecular structure and mechanical behavior through nanoscale experimentation and advanced molecular modeling. In this research, molecular dynamic models will be developed, validated, and employed to predict rheological and mechanical properties determined in the laboratory using nano experimentation, in addition to other traditional methods.This project is an integration of asphalt chemistry and mechanics, which will be integrated in an educational program that will improve the quality of engineering education. The molecular dynamics simulation will be supported through industry collaboration, which will strengthen the PI?s on-going research activities, and benefit the industry from broadening its product applications. This study may result in a general understanding of aging at a molecular scale, which is applicable to a wide range of construction materials. The integration of research and teaching will be addressed by involving graduate students, increasing diversity in engineering education, outreaching to high school students, development of new courses, and broad dissemination of research results.