Periodic boundary conditions

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Table of contents

List of tables
General introduction
Industrial context
Objectives
Organization of manuscript
References
Chapter 1 : State of the art
Introduction
1.1 Steel in the nuclear industry
1.2 Generalities on the RPV steel
1.2.1 RPV as a primary component in nuclear reactors
1.2.2 Chemical composition and heat treatment
1.2.3 Microstructure of the RPV
1.3 Mechanical behavior of RPV
1.4 Dislocations and plastic deformation
1.4.1 Dislocations in general
1.4.2 Cross-slip mechanism
1.4.3 Twinning and anti-twinning directions
1.5 Radiation-induced defects
1.5.1 Copper-rich precipitates
1.5.2 Cavities
1.5.3 Solute Cluster
1.5.4 Radiation-induced loops
1.6 Conclusion
References
Chapter 2 : Methodology
Introduction
2.1 NUMODIS: a nodal DD code
2.1.1 Discretization of dislocation line
2.1.2 Nodal force calculation
2.1.3 Nodal mobility laws
2.1.4 Time integration
2.1.5 Topological changes and operations
2.1.6 Periodic boundary conditions
2.1.7 Control modes in NUMODIS
2.2 Recent developments of NUMODIS
2.2.1 Nodal mobility laws
2.2.2 Core reactions in NUMODIS
2.3 Conclusion
References
Chapter 3 : Identification of DD model parameters
Introduction
3.1 Periodic boundary conditions
3.2 Thermally activated glide
3.2.1 Double-kink model in DD simulations
3.2.2 Implementation in NUMODIS
3.2.3 Validation of the model
3.3 Line tension calibration
3.3.1 Introduction
3.3.2 Theoretical background
3.3.3 Simulation technique
3.3.4 Simulation results
3.3.5 Discussion and concluding remarks
3.4 Conclusion
References
Chapter 4 : Confrontation of MD and DD simulations
Introduction
4.1 Interaction of screw dislocation with h1 0 0i loops
4.1.1 Reactions ending with the restoration of the original loop
4.1.2 Reactions ending in a helical turn formation
4.1.3 Conclusion
4.2 Interaction of screw dislocation with 1/2[1¯11] loop
4.2.1 Reactions ending with the planarization of the original loop
4.2.2 Reactions ending with a helical turn formation
4.2.3 Conclusion
4.3 Molecular dynamics investigation
4.3.1 About the existence of viscosity on physical nodes
4.3.2 Cross-slip and twinning mechanisms in -iron
4.4 Conclusion
References