论文标题
连续模型的半晶体界面位错结构
Continuum model for dislocation structures of semicoherent interfaces
论文作者
论文摘要
为了缓解错误的弹性能量，异质空白通过形成脱位网络而变为半继承者。这些显微镜结构强烈影响与晚期材料开发相关的材料特性。我们开发了一个连续模型，用于半晶格接口的位错结构。在半晶格界面上控制脱位结构的经典法兰克 - 比利方程无法确定唯一的解决方案。文献中的可用方法要么使用原子模拟中的进一步信息，要么仅考虑特殊情况（不超过两个汉堡向量的位错），而Frank-Bilby方程具有独特的解决方案。在我们的连续模型中，通过将平衡位错网络相对于所有可能的汉堡矢量的能量最小化，而受到Frank-Bilby方程的约束，则获得了半晶体界面的位错结构。连续模型通过与原子模拟结果进行比较来验证。
In order to relieve the misfitting elastic energy, the hetero-interfaces become semicoherent by forming networks of dislocations. These microscopic structures strongly influence the materials properties associated with the development of advanced materials. We develop a continuum model for the dislocation structures of semicoherent interfaces. The classical Frank-Bilby equation that governs the dislocation structures on semicoherent interfaces is not able to determine a unique solution. The available methods in the literature either use further information from atomistic simulations or consider only special cases (dislocations with no more than two Burgers vectors) where the Frank-Bilby equation has a unique solution. In our continuum model,the dislocation structure of a semicoherent interface is obtained by minimizing the energy of the equilibrium dislocation network with respect to all the possible Burgers vectors, subject to the constraint of the Frank-Bilby equation. The continuum model is validated by comparisons with atomistic simulation results.
