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Full Description
This book aims to provide a lively working knowledge of the thermodynamic control of microscopic simulations, while summarizing the historical development of the subject, along with some personal reminiscences. Many computational examples are described so that they are well-suited to learning by doing. The contents enhance the current understanding of the reversibility paradox and are accessible to advanced undergraduates and researchers in physics, computation, and irreversible thermodynamics.
Contents
Overview of Atomistic Mechanics; Formulating Atomistic Simulations; Thermodynamics, Statistical Mechanics, and Temperature; Continuum Mechanics: Continuity, Stress, Heat Flux, Applications; Numerical Molecular Dynamics and Chaos; Time-Reversible Atomistic Thermostats; Key Results from Nonequilibrium Simulations; Second Law, Reversibility, Instability; Outlook for Progress and Life on Earth;



