(Downloads - 0)
For more info about our services contact : help@bestpfe.com
Table of contents
1 MOX Fuel overview
1.1 Generation of Electricity with Nuclear Power
1.2 Why using MOX?
1.3 MOX inside the reactor
1.4 Physical properties of MOX
1.5 Crystallographic structure of MOX
1.6 Defects in MOX
1.6.1 Point defects
1.6.2 Extended defects
2 Numerical Method
2.1 Molecular Dynamics
2.1.1 Simulation box
2.1.2 Atomic interactions
2.1.3 Pair potentials
2.1.4 EAM porential
2.1.5 ZBL porential
2.1.6 Electrostatic force
2.1.7 MOX potentials
2.1.8 LAMMPS code
2.1.9 Simulation techniques
2.2 Atomic structure analysis
2.2.1 Wigner-Seitz cell method
2.2.2 Voronoi cell method
2.2.3 Dislocation Extraction Algorithm
2.3 Simulation of X-ray powder Difraction
2.4 Can Pu atoms be randomly distributed?
3 Thermomechanical assessment of empirical potentials
3.1 Thermodynamical properties
3.1.1 Lattice parameter
3.1.2 Thermal expansion coeicient
3.1.3 Enthalpy and speciĄc heat
3.1.4 Thermal conductivity
3.1.5 Melting point
3.1.6 Difusion in MOX
3.1.7 Phase stability (Energy-volume plots)
3.2 Mechanical properties
3.2.1 Elastic constants
3.2.2 Anisotropy factor (ZenerŠs)
3.2.3 Stress-strain curves
3.2.4 Brittle-to-ductile transition
3.2.5 Crack propagation
3.3 Conclusions
4 Damage evolution under irradiation.
4.1 Defect formation energies
4.2 Frenkel pair recombination
4.3 Primary damage state
4.4 Dose efect
4.5 Elastic moduli vs dose
4.6 X-ray powder Difraction
4.7 Conclusions
5 Adaptive Kinetic Monte Carlo
5.1 Simulation time scale
5.2 Transition state theory
5.3 Accelerated dynamics
5.4 The dimer method
5.5 Recycling saddle points and super basins
5.6 Monte Carlo
5.7 Adaptive Kinetic Monte Carlo
5.8 Long term recombination
5.9 Conclusions
6 Conclusions
A Phase diagram of MOX
B Extended lattice parameter
C Cluster analysis
