**About this Abstract** |

**Meeting** |
**2016 TMS Annual Meeting & Exhibition
** |

**Symposium
** |
**Computational Materials Engineering for Nuclear Reactor Applications
** |

**Presentation Title** |
Z-1: A Spatially Resolved Stochastic Cluster Dynamics Approach for Simulating Radiation Damage Accumulation in α-Fe |

**Author(s)** |
Aaron Yehudah Dunn, Rémi Dingreville, Enrique Martínez-Saez, Laurent Capolungo |

**On-Site Speaker (Planned)** |
Aaron Yehudah Dunn |

**Abstract Scope** |
In this work, a novel spatially resolved stochastic cluster dynamics (SRSCD) model is developed for simulating radiation damage accumulation irradiated metals in a three-dimensionally resolved fashion. Particular interest is placed the following challenges: (1) introduction of displacement cascades in a numerically efficient manner while accounting for spatially correlated reactions between defects, (2) accounting for interactions between defects already present in the material and cascades during the thermal spike phase, and (3) choosing appropriate cascade energies that reflect damage accumulation due to high-energy neutrons. Further, a numerical strategy relying on a synchronous parallel kinetic Monte Carlo algorithm is presented to extend the capabilities of the method. SRSCD is applied to the test case of neutron irradiation of α-Fe and results are compared to experimental results over the range of doses studied here. The computational efficiency and accuracy of this technique is discussed in light of several examples. |

**Proceedings Inclusion?** |
Planned: A print-only volume |