从硬球和立方体到非平衡映射与恒温分子动力学三十余年
From Hard Spheres and Cubes to Nonequilibrium Maps with Thirty-Some Years of Thermostatted Molecular Dynamics
摘要：
这是我们目前对模型的研究观点，为统计力学提供了深入的了解。它必然是个人的，强调我们自己对模拟的兴趣，因为它从国家实验室的工作发展到今天世界范围内的计算爆炸。我们对比过去和现在的原子模拟，强调那些简单的模型，最好地实现再现性和促进理解。具有对力的少体模型导致了今天具有数十亿原子和分子的“现实”模拟。计算机技术的迅速发展导致了变化。理论形式主义已在很大程度上取代了模拟纳入巧妙的算法开发。我们选择研究特别简单，但相关的，旨在理解一般原则的模型。简单性和相关性仍然是一个有价值的目标。我们讨论硬粒子维里系列，熔化，恒温振荡器与热传导，混沌动力学，分形，连接的李雅普诺夫谱热力学，最后简单的线性映射。在此过程中，我们提到了额外的建模可以在未来提供更清晰和更有趣的发展的方向。
英文摘要：
This is our current research perspective on models providing insight into statistical mechanics. It is necessarily personal, emphasizing our own interest in simulation as it developed from the National Laboratories' work to the worldwide explosion of computation of today. We contrast the past and present in atomistic simulations, emphasizing those simple models which best achieve reproducibility and promote understanding. Few-body models with pair forces have led to today's "realistic" simulations with billions of atoms and molecules. Rapid advances in computer technology have led to change. Theoretical formalisms have largely been replaced by simulations incorporating ingenious algorithm development. We choose to study particularly simple, yet relevant, models directed toward understanding general principles. Simplicity remains a worthy goal, as does relevance. We discuss hard-particle virial series, melting, thermostatted oscillators with and without heat conduction, chaotic dynamics, fractals, the connection of Lyapunov spectra to thermodynamics, and finally simple linear maps. Along the way we mention directions in which additional modelling could provide more clarity and yet more interesting developments in the future.
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。
