Relationship between Structure and Mechanical Behavior of Interfaces

这项研究代表了一个耦合的原子论和连续统 力学研究的机械性能和响应 双晶体中的界面 将使用计算机建模 广泛地。 虽然重点是晶界， 结果还将涉及双材料界面，例如 复合材料. 用多体势进行原子计算 将得到的结果进行比较，通过连续 力学处理，以确定所需的接口 连续性条件。 之后，研究将集中在 晶界裂纹 其中一个主要目标是 研究的目的是开发将界面 界面裂纹的连续处理。

This research represents a coupled atomistic and continuum mechanics study of the mechanical properties and response of interfaces in bicrystals. Computer modeling will be used extensively. Although the emphasis is on grain boundaries, the results will also relate to bi-material interfaces, such as in composites. Atomistic calculations using many-body potentials will be compared with the results obtained by a continuum mechanics treatment in order to determine the required interface continuity conditions. Later, the research will concentrate on grain boundary cracks. A major objective of this research is to develop the ability to incorporate interfacial properties into the continuum treatments of interfacial cracks.