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Why Model Radiation Damage?

Why Model Radiation Damage?. Irradiation with energetic particles leads to atomic displacements, Defects. Material properties largely determined by defect structure Strength Ductility. Toughness, Dimensional Stability. Multi-Scale Modeling: Track Evolution from nm to m, fs to yr .

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Why Model Radiation Damage?

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  1. Why Model Radiation Damage? • Irradiation with energetic particles leads to atomic displacements, Defects • Material properties largely determined by defect structure • Strength • Ductility • Toughness, • Dimensional Stability Multi-Scale Modeling: Track Evolution from nm to m, fs to yr

  2. Simulation 1: MCNP • Results: • Average reaction, Ed = 404 keV of energy (487 keVpoublished by Stoller) • Damage Rate: 2.28379E-01 DPA s^-1

  3. MD: Fe Displacement Cascade ~ 10keV collision PKA LAMMPS MODEL Model250000 atoms 1. Thermal equilibrium: for 1000 1fs steps . ~14 hours! 2. Internal temperature fixed BC temperature, 1000 1fs steps. 3. Initiate velocity of PKA atom. 4. Equilibrate for 10 ps, ensuring Remaining Defects: Track with multi-scale approach

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