Intermixing of chemical species as a result of interdiffusion during the manufacturing of metallic nanolaminates leads to diffuse interface structures which have distinct properties compared to corresponding atomically sharp interfaces. The effect of interdiffusion-induced changes to the interface structure on interface shear strength is complex due to the presence of solute atoms and a reduced misfit dislocation density. The shear responses of {111} Cu/Ni nanolaminate interfaces with varying levels of interdiffusion are studied using atomistic methods to elucidate the effect of interface structure changes on shear deformation mechanisms. Models with diffuse interfaces exhibit improved interface shear strength relative to the atomically sharp case; however, shear strength does not increase monotonically with solute concentration. The distribution of maximum changes in energy per misfit node and non-uniform misfit node displacements, filtered using microrotation vector analysis, suggest heterogeneous interface resistance to sliding. No strong correlation is found between solute concentration near misfit node centroids and misfit node displacements, indicating the importance of the longer-range misfit dislocation structure. Increased activation of misfit dislocation glide is associated with larger solute concentrations as a result of increased misfit node displacements. Analysis of change in energy during the shear deformation process, however, reveals that interface sliding is dominated by the misfit node behavior. These findings highlight the importance of modeling realistic diffuse interface structures and emphasize the competing effects of solute concentration and interface misfit dislocation density.

在金属纳米层压材料的制造过程中，由于相互扩散而导致的化学物质混合导致扩散界面结构，与相应的原子尖锐界面相比，该结构具有不同的特性。由于溶质原子的存在和降低的错配位错密度，相互扩散引起的界面结构变化对界面剪切强度的影响是复杂的。使用原子方法研究了具有不同相互扩散水平的 {111} Cu/Ni 纳米层压板界面的剪切响应，以阐明界面结构变化对剪切变形机制的影响。具有扩散界面的模型相对于原子尖锐的情况表现出更高的界面剪切强度；然而，剪切强度不会随溶质浓度单调增加。使用微旋转矢量分析过滤的每个失配节点的最大能量变化分布和非均匀失配节点位移表明异质界面抵抗滑动。在失配节点质心附近的溶质浓度与失配节点位移之间没有发现强相关性，表明了较长范围的失配位错结构的重要性。由于错配节点位移增加，错配位错滑移的激活增加与溶质浓度增加有关。然而，对剪切变形过程中能量变化的分析表明，界面滑动主要由失配节点行为决定。