Molecular Dynamic Simulation: Fundamentals and Applications
explains the basic principles of MD simulation and explores its
recent developments and roles in advanced modeling approaches. The
implementation of MD simulation and its application to various
aspects of materials science and engineering including mechanical,
thermal, mass transportation, and physical/chemical reaction
problems are illustrated. Innovative modeling techniques that apply
MD to explore the mechanics of typical nanomaterials and
nanostructures and to characterize crystalline, amorphous, and
liquid systems are also presented. The rich research experience of
the authors in MD simulation will ensure that the readers are
provided with both an in-depth understanding of MD simulation and
clear technical guidance.
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