Molecular Dynamics Simulation of Nanostructured Materials-An Understanding of Mechanical Behavior

Chapter 1: Structural Description of Materials
1.1 Atomic arrangements in materials
1.2 Defects in solids
1.3 Fiber Reinforced Composite Materials
References
Chapter 2: Mechanical Behavior of Materials
2.1 Elastic Deformation 
2.2 Plastic deformation
2.3 Theory of Dislocation and Plastic deformation 
2.4 Mechanical twinning
2.5 Macroscopic Plasticity
2.6 Grain boundary engineering 
2.7 Grain misorientation and grain-boundary rotation dependent mechanical properties
References
Chapter 3: Creep and Fatigue behavior of Materials
3.1 Metallic creep and viscoelasticity
3.2 Deformation mechanism maps
3.3 Metallic fatigue
3.4 Fracture and toughness
3.5 Crack propagation and healing mechanism for metallic system
3.6 Strengthening and toughening mechanism of metallic system
3.7 Strengthening and toughening mechanism of polymeric composite system
3.8 Physics of Fiber-reinforced composite materials deformation
References
Chapter 4: Mechanical Behavior of Nanostructured Materials
4.1 Length Scale Dependent Mechanical Behavior
4.2 Categories of Nanostructured Materials
4.3 Non-equilibrium Nanostructured materials
4.4 Classification of Nanostructured materials based on Microstructure
4.5 Mechanical Properties of Nano Metallic Glass
4.6 Mechanical Properties of Nano granular Metallic Glasses
4.7 Interfacial and Mechanical Properties of Epoxy Nanocomposites
References
Chapter 5: Basics of Molecular Dynamics (MD) Simulation
5.1 Introduction
5.2　Molecular interactions
5.3 Interatomic Potentials
5.4　The MD algorithms
5.5　Time Dependence
5.6 Different ensembles
5.7 Structural characterization
References
Chapter 6: Stress-strain behavior investigation by MD Simulation
6.1. Introduction 
6.2. Test Parameters
6.3. Test Procedure
6.4. Stress Strain plot
6.5. Structural Evolution
6.6. Summary
References
Chapter 7: Fracture simulations　using MD
7.1 Introduction
7.2 Test Parameters
7.3 Test Procedure
7.4 Traction and Separation Method
7.5　Crack Heal
7.6　Fracture Behavior Analysis
7.7　Summary
References
Chapter 8: Creep behavior investigation by MD Simulation
8.1 Introduction
8.2 Test parameters
8.3 Test Procedure
8.4 Creep curve plot
8.5 Structural evolution
References
Chapter 9: Fatigue Behavior Investigation by MD Simulation
9.1 Introduction
9.2 Cyclic Loading Pattern
9.3 Test Parameters
9.4 Test Procedure
9.5 Structural Evolution
9.6 Impact of Cyclic Loading Pattern
References