复合材料的弹坑函数：离子轰击耦合偏微分方程模型中参数估计的途径
Crater functions for compound materials: a route to parameter estimation in coupled-PDE models of ion bombardment
摘要：
在离子轰击含有多种组分的靶时，有时会观察到高度有序的纳米结构阵列。模型结合耦合偏微分方程，描述形态和化学演变，似乎提供了最有希望的解释这些意见。然而，这些模型包含许多未知参数，这些参数必须满足特定条件才能解释观察到的行为。因此，缺乏对这些参数的了解是将理论与实验进行比较的一个重要障碍。在这里，通过适应最近的理论“火山口功能”的情况下，二元材料，我们开发了一个通用的框架中，许多这样的模型的参数可以使用分子动力学模拟的结果进行估计。作为一个示范，我们应用我们的框架，最近的理论布拉德利和希普曼的情况下，Ar辐照的锑化镓，在有序的图案首次观察到。与溅射原子形成碰撞级联的主要成分以及优先再分配起重要稳定作用的要求相反，我们发现重新分配的原子主导碰撞级联，并且优先再分配似乎可以忽略不计。因此，该系统的实际估计参数似乎不满足当前理论的要求，促使考虑其他潜在的模式形成机制。
英文摘要：
During the ion bombardment of targets containing multiple component species, highly-ordered arrays of nanostructures are sometimes observed. Models incorporating coupled partial differential equations, describing both morphological and chemical evolution, seem to offer the most promise of explaining these observations. However, these models contain many unknown parameters, which must satisfy specific conditions in order to explain observed behavior. The lack of knowledge of these parameters is therefore an important barrier to the comparison of theory with experiment. Here, by adapting the recent theory of "crater functions" to the case of binary materials, we develop a generic framework in which many of the parameters of such models can be estimated using the results of molecular dynamics simulations. As a demonstration, we apply our framework to the recent theory of Bradley and Shipman, for the case of Ar-irradiated GaSb, in which ordered patterns were first observed. In contrast to the requirements therein that sputtered atoms form the dominant component of the collision cascade, and that preferential redistribution play an important stabilizing role, we find instead that the redistributed atoms dominate the collision cascade, and that preferential redistribution appears negligible. Hence, the actual estimated parameters for this system do not seem to satisfy the requirements imposed by current theory, motivating the consideration of other potential pattern-forming mechanisms.
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