标题： 一种耦合直接模拟蒙特卡洛和分子动力学的并发多尺度框架 显示英文标题

标题： A Concurrent Multiscale Framework Coupling Direct Simulation Monte Carlo and Molecular Dynamics

摘要： 我们提出了一种将直接模拟蒙特卡洛（DSMC）算法与分子动力学（MD）耦合的新方法。该耦合方法通过基于网格单元的决策机制扩展了先前的耦合方法。此方法由提升和限制算子支持，这些算子在DSMC和MD之间转换长度和时间尺度。我们在基本守恒定律上验证了这一框架，并在高超声速流动的例子中展示了其可用性。从传统的DSMC模拟的角度讨论了其准确性提升。讨论了该方法的优点和局限性，并强调了额外的应用场景。 显示英文摘要

摘要： We present a new method to couple the Direct Simulation Monte Carlo (DSMC) algorithm with molecular dynamics (MD). The coupling approach generalizes prior coupling methods using a cell-based decision. The approach is supported by a lifting and restricting operator, which translate length and time scales between DSMC and MD. We verify the framework on basic conservation laws, and demonstrate its usability on a hypersonic flow example. Its accuracy gain is discussed in light of conventional DSMC simulations. Advantages and limitations are discussed, and additional use cases are highlighted.