Multiscale materials modeling for nanomechanics. (2016)

• Record Type: Book
• Further Information: Note: Christopher R. Weinberger, Garritt J. Tucker, editors.
• Editors: Weinberger, Christopher R; Tucker, Garritt J
• Contents: Preface; Acknowledgments; Contents; Contributors; 1 Introduction to Atomistic Simulation Methods; 1.1 Introduction; 1.2 Molecular Statics; 1.2.1 Energy Minimization; 1.2.1.1 Line Search Minimization Methods; 1.2.1.2 Damped Dynamics Minimization Methods; 1.2.2 Transition States and Reaction Pathways; 1.3 Boundary Conditions; 1.4 Molecular Dynamics; 1.4.1 Time Integrators; 1.4.1.1 Verlet; 1.4.1.2 SHAKE; 1.4.2 Ensembles and Thermostats; 1.4.3 Initial Conditions and Replicas; 1.5 Observables, Properties, and Continuum Fields; 1.5.1 Equilibrium Properties; 1.5.2 Transport Properties. 1.5.2.1 Analytical Methods1.5.2.2 Direct Methods; 1.5.2.3 Green-Kubo Methods; 1.6 Interatomic Potentials; 1.6.1 Pair Potentials; 1.6.1.1 Lennard-Jones; 1.6.1.2 Morse; 1.6.2 Coulombic Potentials; 1.6.2.1 Advantages and Disadvantages of Pair Potentials; 1.6.3 The Embedded Atom Method; 1.6.4 Extensions of the EAM Formalism; 1.6.5 Other Many-Body Functions; 1.6.6 Ionic Many-Body Potentials; 1.7 Available Software and Potentials; 1.8 Atomistic Simulation Analysis and Visualization; 1.9 Summary and Applications; 1.9.1 Applications to Nanomechanics; References. 2 Fundamentals of Dislocation Dynamics Simulations2.1 Overview; 2.2 Fundamentals; 2.2.1 Problem Formulation; 2.2.2 Basic Features; 2.2.2.1 Driving Forces; 2.2.2.2 Mobility Laws; 2.2.2.3 Line Discretization and Remeshing; 2.2.2.4 Time Integration; 2.2.2.5 Dislocation Collisions; 2.2.3 Additional Aspects; 2.2.3.1 Junctions and Dislocation Intersections; 2.2.3.2 Boundary Conditions; 2.2.3.3 Cross-Slip; 2.2.3.4 2-Dimensional Dislocation Dynamics; 2.3 Running a DD Simulation; 2.3.1 Types of Simulations; 2.3.2 DD Codes; 2.3.3 Input Specification; 2.3.4 Designing a Simulation. 2.3.4.1 Initial Configuration2.3.4.2 Loads and Boundary Conditions; 2.3.4.3 Outputs; 2.3.4.4 Solution Convergence; 2.3.5 Example Simulations; 2.3.5.1 Case Study 1: Activation Stress of a Frank-Read Source; 2.3.5.2 Case Study 2: Spiral-Arm Source Activation in a Cylinder; 2.3.5.3 Case Study 3: Bulk Plasticity Simulation; 2.4 Relation to Models at Other Length/Time Scales; 2.4.1 Lower Scale Models; 2.4.2 Higher Scale Models; 2.4.3 Concurrently Modeling Across Scales; 2.5 Challenges and Current Research Topics; References; 3 Continuum Approximations; 3.1 Introduction. 3.2 Continuum Approximations3.2.1 Classical Theory; 3.2.2 Micromorphic Theories; 3.2.3 Surface Stress; 3.2.4 Nonlocal Theories; 3.3 Homogenization Theory; 3.3.1 Method of Two-Scale Asymptotic Expansion; 3.3.2 Convergence: Strong and Weak; 3.3.3 Homogenization Example; 3.3.4 Computational Homogenization; 3.4 Crystal-Plasticity Models; 3.4.1 Background; 3.4.2 Model Formulations; 3.4.3 CP and Nanomechanics; 3.5 Conclusions; Appendix; Example: Error in the Continuum Approximation; Example: Absence of a Surface Effect in Classical Continuum Mechanics; References.
• Publisher Details: Switzerland : Springer
• Publication Date: 2016
• Extent: 1 online resource
• Subjects: 620.1/1592; Materials science; Nanostructured materials -- Mechanical properties -- Mathematical models; Multiscale modeling; TECHNOLOGY & ENGINEERING -- Nanotechnology & MEMS; Multiscale modeling; Science -- Mathematical Physics; Technology & Engineering -- Mechanical; Science -- Nanostructures; Technology & Engineering -- Material Science; Mathematical physics; Mechanical engineering & materials; Nanotechnology; Precision instruments manufacture; Testing of materials; Nanotechnology; Materials; Engineering; Surfaces (Physics); Electronic books
• Languages: English
• ISBNs: 9783319334806; 3319334808
• Related ISBNs: 9783319334783; 3319334786
• Notes: Note: Includes bibliographical references and index.; Note: Online resource, title from PDF title page (EBSCO), viewed September 11, 2016.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.