Catastrophic phenomena that afflict millions of lives, ranging from the failure of the Earth’s crust in earthquakes, to the collapse of buildings, to the failure of bones due to injuries, all have one common underlying theme: the breakdown of the basic constituents of any material ultimately leads to the failure of its overall structure and intended function. Understanding how materials fail has always been of great importance to enable and advance technologies. Over several thousands of years, the knowledge about the behavior of materials in extreme conditions has furnished the way for modern technologies, by enabling the use of materials for a variety of applications.
This book will provide readers with a basic understanding about the fundamentals, application areas, and potential of classical molecular dynamics for problems in mechanics of materials. Another emphasis is on developing a sensitivity for the significance of mechanics in different areas, and how atomistic and continuum viewpoints can be integrated to build a new platform of control in the analysis and description of the behavior of complex materials under extreme conditions. The focus of this book is on atomistic modeling of small-scale dynamics phenomena with large-scale simulations, combined with theoretical methods such as continuum mechanics. Throughout the text, the reader will find a coherent discussion of theory, simulation results, and experimental studies. The discussion of model building and analysis of simulation results illustrate some of the critical aspects of this computational tool. A core contribution of this book to the available literature in this field is the comparative discussion of atomistic simulation results with continuum theories and other engineering concepts. The main question we are concerned with is how materials fail under extreme conditions, and how the microscopic or macroscopic failure processes are related to atomistic details.
KeywordsAtomic Force Microscope Atomistic Modeling Optical Tweezer Atomic Bond Ductile Failure
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