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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Special Topics in Nuclear Materials: Lessons Learned; Non-Energy Systems; and Coupled Extremes
Presentation Title Developing a High-Performance Cluster Dynamics Code: Challenges and Lessons Learned
Author(s) Sophie Blondel, Philip Fackler, Philip Roth, David Bernholdt, Brian Wirth
On-Site Speaker (Planned) Sophie Blondel
Abstract Scope Xolotl is an open source DOE high-performance computing code using spatially dependent advection-reaction-diffusion kinetic rate theory to model the time evolution defects and microstructure in irradiated materials. It was originally developed to support two DOE SciDAC programs (on plasma surface interactions for fusion applications, and nuclear fuel in fission reactors). In the past 10 years, it has grown to model 5 different materials, be coupled to other simulation methods in a variety of ways, and integrate a grouping scheme and Kokkos for computational efficiency. This presentation will go over the challenges faced and the solutions (some tentative) explored along the way.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Nuclear Materials,

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Advancing Radioisotope Heat Sources: Enhancing RPS for Extreme Environments
Atomistic Simulation of Thermal and Irradiation Creep Mechanisms in BCC-Fe and FCC-Ni using Defect Rate-Based Long-time Dynamics
Best Practices for Irradiation Experiment Design For Nuclear Fuels and Materials Research
Cavity Formation Induced by Swift Heavy Ion Irradiation in AlN/GaN
Comparison of Hardening and Microstructures of Structural Alloys Irradiated with Fast Neutrons and Dual Ions
Developing a High-Performance Cluster Dynamics Code: Challenges and Lessons Learned
Effect of Applied Stress on Radiation-Induced Loop and Raft Formation in a BCC Metal
Effect of Tensile Stress Gradients on the Multi-Length-Scale Microstructure in Thermal and Irradiation Creep of 316L Stainless Steel
Energy Dispersive X-Ray Spectroscopy (EDS) Induced Defects and Implantation Induced Impurities in Uranium Nitride (UN) and SIMFUEL Pellets
Fabrication of Titanium-Containing Tri-Carbide Ultra-High Temperature Ceramics
GIRAFFE – In Situ Material TestsUnder Fusion-Relevant Conditions
In-situ Electron Microscopy Characterization of Deformation Mechanisms of Inconel 718 Irradiated with Simultaneous High Energy Protons and Spallation Neutrons
Influence of Radiation Swelling on Residual Stresses and Measurement of Micromechanical Properties
Materials Research for High-Power Accelerator Beam-Intercepting Devices
Modeling Galvanic Drawdown Separations Technique
Phase Field Modeling of Irradiation-Induced Amorphous-to-Crystalline (A-C) Transformations in Structural Ceramics
Post Irradiation Examination and Administrative Lifetime Limits of Highly Irradiated Components at The Spallation Neutron Source
Small Scale Tests, Big Lessons Learned
The Recovery of Irradiation Damage for Zircaloy-2 and Zircaloy-4 following Irradiation at Higher Temperatures of 377-410°C

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