內容大鋼
This book is written by a group of researchers based on the recent research progress in the fiber/matrix interface degradation under various environmental exposures via molecular dynamics simulation. It provides systematic framework of the model development, simulation techniques, and simulation results and presents the future research directions for investigating the interracial degradation. By introducing the molecular details of fiber/matrix interface under environmental effects, it advances the fundamental understanding of the interracial degradation mechanism. Researchers, scientists and engineers in the field of civil engineering and composite materials can benefit from the book. In conclusion, this book provides a computational paradigm and valuable insights on the fundamental interracial degradation mechanism, which can contribute to the prediction of long-term behavior of fiber-reinforced polymer composites in harsh environments and pave the way for the material design with stronger interface.
目錄
1 Introduction to Carbon Fiber-Reinforced Polymer Composite
1.1 Basics of Carbon Fiber-Reinforced Polymer (CFRP)
1.2 Long-Term Durability of CFRP
1.3 Literature Review of FRP Degradation
1.3.1 Experimental Investigation
1.3.2 Continuum Modeling and Simulation
1.3.3 Brief Summary
1.3.4 Research Motivation
1.4 Objectives
1.5 Outline
References
2 Molecular Modeling of Carbon Fiber-Reinforced Polymer
Composite
2.1 Carbon Fiber
2.1.1 Experimental Measurements
2.1.2 Molecular Model
2.2 Matrices
2.2.1 Experimental Measurements
2.2.2 Molecular Models
2.3 Carbon Nanofiber-Reinforced Polymer Composite
2.3.1 Experimental Measurements
2.3.2 Molecular Models
2.4 Carbon Fiber/Matrix Interface
2.4.1 Experimental Measurements
2.4.2 Molecular Models
2.5 Summary
References
3 Basics of Molecular Dynamics Simulation Methods
3.1 Introduction to Molecular Dynamics (MD) Simulation Method
3.2 Molecular Mechanics
3.2.1 Model Establishment
3.2.2 Molecular Interaction Potentials
3.2.3 Boundary Conditions
3.2.4 Energy Minimization
3.3 MD Simulation
3.3.1 Ensembles
3.3.2 MD Algorithm
3.3.3 Relaxation and Simulation Process
3.3.4 Data Analysis and Post-Processing
3.3.5 MD Trajectory Analysis
3.4 Summary
References
4 Degradation of Carbon Nanofiber-Reinforced Composite
Under Loading and Environmental Conditions
4.1 Introduction
4.2 Materials and Methods
4.2.1 Atomistic Modeling
4.2.2 Structural Equilibration
4.2.3 Simulation of Loading Conditions
4.2.4 Simulation of Environmental Conditions
4.2.5 Coarse-Grained Modeling
4.3 Composite Structure and Properties
4.3.1 Composite Structure
4.3.2 Composite Properties
4.4 Composite Degradation Under Environmental and Loading Conditions
4.4.1 Mechanical Responses Under Constant Velocity Loads
4.4.2 Degradation Under Environmental Conditions
4.4.3 Degradation Under Environmental and Constant Velocity Loading Conditions
4.4.4 Degradation Mechanism Under Environmental and Loading Conditions
4.5 Summary
References
5 Interfacial Integrity of Carbon Fiber/Epoxy Matrix Interface Under Loading Conditions
5.1 Introduction
5.2 Materials and Methods
5.2.1 Atomistic Modeling
5.2.2 Structural Equilibration
5.2.3 Simulation of Loading Conditions
5.3 Interfacial Structure and Properties
5.3.1 Interfacial Structure
5.3.2 Interfacial Properties
5.4 Interfacial Responses Under Constant Velocity Loads
5.4.1 Interfacial Tensile Responses
5.4.2 Interracial Shearing Responses
5.5 Interfacial Responses Under Constant Force Loads
5.5.1 Interfacial Creep Properties
5.5.2 Interfacial Creep Responses Under the Low Load Regime
5.5.3 Interfacial Creep Responses Under the High Load Regime
5.6 Interfacial Responses Under Cyclic Loads
5.7 Summary
References
6 Interfacial Integrity of Carbon Fiber/Epoxy Matrix Interface Under Environmental Conditions
6.1 Introduction
6.2 Materials and Methods
6.2.1 Forcefield
6.2.2 Simulation of Environmental Conditions
6.3 Interfacial Degradation Under Environmental Conditions
6.3.1 Degradation of Interfacial Structure
6.3.2 Degradation of Interfacial Properties
6.4 Interfacial Degradation Under Environmental and Constant Velocity Loading Conditions
6.4.1 Degradation of Interfacial Tensile Responses
6.4.2 Degradation of Interfacial Shearing Responses
6.5 Interfacial Degradation Under Environmental and Constant Force Loading Conditions
6.5.1 Degradation of Interfacial Creep Properties
6.5.2 Degradation of Interfacial Creep Responses Under the Low Load Regime
6.5.3 Degradation of Interfacial Creep Responses Under the High Load Regime
6.6 Interfacial Degradation Under Environmental and Cyclic Loading Conditions
6.7 Interfacial Degradation Mechanism Under Environmental and Loading Conditions
6.8 Summary
References
7 Summary, Conclusions and Future Works
7.1 Summary
7.2 Conclusions
7.3 Future Works
7.3.1 Large-Scale Epoxy Model
7.3.2 Fiber with Surface Treatments
7.3.3 Reactive MD Simulations
7.3.4 Multiscale Approach
References
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