James D Lee - Böcker

Molecular Simulations and Multiphysics Nanoscale Coupling focuses on the theoretical foundations and numerical methods for studying the behavior of materials and the coupling of mechanical, thermal, and electromagnetic fields at the nanoscale. It provides a deeper understanding of the theoretical development of governing equations based on the Principle of Objectivity, which stipulates that all the variables appearing in the constitutive equations and balance laws must be objective. It presents the coupling of mechanics, thermal science, and electromagnetics rigorously through Nosé-Hoover thermostat and Maxwell’s equations.In addition, this book presents Sequential and Concurrent Multiscale Modeling and a newly developed CGMD to apply multiscale modeling to the behaviors of materials at nanoscale. It shows molecular dynamics simulation for studying fracture mechanics at the microscopic level, and analytically and numerically, not merely empirically.This book is essential for undergraduate and graduate courses in mechanical engineering, aerospace engineering, materials science, and chemical engineering. It also serves as a reference book for researchers in solid mechanics, fluid mechanics, materials science, and chemical engineering.

This comprehensive volume presents a unified framework of continuum theories. It indicates that (i) microcontinuum theories (micromorphic and micropolar theories) are natural extension of classical continuum mechanics, and (ii) classical continuum mechanics is a special case of microcontinuum theories when the deformable material point is idealized as a single mathematical point. The kinematics and basic laws are rigorously derived. Based on axiomatic approach, constitutive theory is systematically derived for various kinds of materials, ranging from Stokesian fluid to thermo-visco-elastic-plastic solid. Material force and Thermomechanical-electromagnetic coupling are introduced and discussed. Moreover, general finite element methods for large-strain thermomechanical coupling physical phenomena are systematically formulated. Also, non-classical continuum theories (Nonlocal Theory, Mechanobiology, 4D printing, Poromechanics, and Non-Self-Similar Crack Propagation) are rigorously formulated with applications and demonstrated numerically.As an advanced monograph, this unique compendium can also be used as a textbook for several graduate courses, including continuum mechanics, finite element methods, and advanced engineering science theories. Extensive problems are provided to help students to better understand the topics covered.