使用移动窗口并发原子连续体框架研究shock wave传播、演化和各向异性
Investigating shock wave propagation, evolution, and anisotropy using a moving window concurrent atomistic-continuum framework
摘要：
尽管它们在材料的微尺度建模方面取得了成功，但原子方法仍然受到短时间尺度、小畴尺寸和高应变率的限制。多尺度公式可以在较长的运行时间内捕获固体的连续级响应，但使用这种方案来模拟高度动态的非线性现象是非常具有挑战性的，也是一个活跃的研究领域。在这项工作中，我们开发了新的技术并发原子连续多尺度框架内模拟冲击波传播通过二维，单晶晶格。该技术进行了详细描述，并将两个移动窗口的方法来跟踪通过域的冲击波阵面，从而防止杂波反射在原子连续界面。我们比较我们的模拟结果的分析模型，以及以前的原子和CAC的数据，并讨论了FCC晶体的冲击响应的晶格取向的明显影响。然后，我们使用移动窗口技术进行参数研究，分析冲击波阵面的结构和平面性。最后，我们比较了我们的模型的效率分子动力学模拟。这项工作展示了使用移动窗口并发多尺度框架来模拟动态冲击演化的能力，并为涉及冲击通过复合材料和高熵合金传播的更复杂的研究打开了大门。
英文摘要：
Despite their success in microscale modeling of materials, atomistic methods are still limited by short time scales, small domain sizes, and high strain rates. Multiscale formulations can capture the continuum-level response of solids over longer runtimes, but using such schemes to model highly dynamic, nonlinear phenomena is very challenging and an active area of research. In this work, we develop novel techniques within the concurrent atomistic-continuum multiscale framework to simulate shock wave propagation through a two-dimensional, single-crystal lattice. The technique is described in detail, and two moving window methods are incorporated to track the shock front through the domain and thus prevent spurious wave reflections at the atomistic-continuum interfaces. We compare our simulation results to analytical models as well as previous atomistic and CAC data and discuss the apparent effects of lattice orientation on the shock response of FCC crystals. We then use the moving window techniques to perform parametric studies which analyze the shock front's structure and planarity. Finally we compare the efficiency of our model to molecular dynamics simulations. This work showcases the power of using a moving window concurrent multiscale framework to simulate dynamic shock evolution over long runtimes and opens the door to more complex studies involving shock propagation through composites and high-entropy alloys.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
