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arXiv 1502.06169physics.ed-phcond-mat.stat-mechphysics.comp-ph
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交互式分子动力学

Interactive molecular dynamics

Daniel V. Schroeder

摘要:

物理学生现在可以使用交互式分子动力学模拟,可以模拟和动画数百个粒子的运动,如惰性气体原子,这些粒子在短距离内相互吸引很弱,但在挤压在一起时会强烈排斥。使用这些模拟,学生可以发展在分子尺度上的力和运动的理解,非理想流体,物质的相位,热平衡,非平衡态,玻尔兹曼分布,时间箭头,等等。本文总结了这种模拟的基本特性和功能,介绍了在入门级和中级水平上使用它的各种学生练习,并描述了可以进一步扩展其用途的一些增强功能。一个工作模拟代码,在HTML5和JavaScript运行在任何现代Web浏览器,提供作为一个在线补充。

英文摘要:

Physics students now have access to interactive molecular dynamics simulations that can model and animate the motions of hundreds of particles, such as noble gas atoms, that attract each other weakly at short distances but repel strongly when pressed together. Using these simulations, students can develop an understanding of forces and motions at the molecular scale, nonideal fluids, phases of matter, thermal equilibrium, nonequilibrium states, the Boltzmann distribution, the arrow of time, and much more. This article summarizes the basic features and capabilities of such a simulation, presents a variety of student exercises using it at the introductory and intermediate levels, and describes some enhancements that can further extend its uses. A working simulation code, in HTML5 and JavaScript for running within any modern Web browser, is provided as an online supplement.

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。

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