Webinar: Predictive Multiscale Simulation for Advanced Materials: From Machine-Learned Atomistics to Microstructure Evolution
- khollingsworth9
- 6 days ago
- 2 min read
Nuclear materials in fission and fusion reactors degrade through the same process: chemistry and microstructure evolving together across scales, under conditions no single experiment can reproduce. Autoclave and irradiation campaigns run for years and demand hot-cell handling of radioactive, tritiated samples, yet cannot recreate the combined neutron, thermal, and chemical loads of service.
This webinar presents a single, parameter-free simulation workflow that runs from density functional theory to machine-learned interatomic potentials to continuum phase-field modeling, drawing all parameters from atomistic calculations rather than empirical fits. Through case studies in zirconium cladding corrosion, hydride formation and fracture, tritium trapping in oxidized tungsten, and radiation damage, Kyle will show how one atomistics-to-continuum pipeline built on MedeA moves materials qualification toward predictive, component-lifetime simulation.
Learn how to:
• Build a parameter-free DFT → MLP → phase-field workflow for complex materials
• Predict and validate microstructure with no fitting to experimental data
• Extend first-principles accuracy to large-scale, finite-temperature simulation
• Model coupled chemistry, transport, and microstructure evolution in MedeA PhaseField
• Apply one workflow across fission and fusion materials problems
Who should attend:
• Materials scientists and computational chemists in industry and academia
• R&D engineers in nuclear, structural, or functional materials
• Researchers modeling corrosion, hydrogen/tritium transport, or radiation damage
• DFT users seeking scalable, multiscale extensions
• Teams advancing predictive materials qualification and lifetime prediction
Webinar Sessions
Wednesday, July 1st:
Live Q&A
10:00 AM PDT (USA) 1:00 PM EDT (USA)19:00 CEST (EUROPE)
Thursday, July 2nd:
Live Q&A
07:00 AM PDT (USA) 10:00 AM EDT (USA)16:00 CEST (EUROPE)19:30 IST (INDIA)
Friday, July 3rd:
Live Q&A
08:00 CEST (EUROPE)11:30 IST (INDIA)14:00 CST (CHINA)15:00 JST (JAPAN)
Note: Please select a day and time that best fits your schedule. This one-hour webinar is offered multiple times to accommodate participants worldwide. Note: All of our scientific webinars are free to attend.
Dr. Kyle Starkey
Kyle Starkey is a Researcher at Materials Design, where he develops multiscale simulation methods for materials degradation in extreme environments. His current work integrates density functional theory, machine-learned interatomic potentials, and phase-field modeling to predict microstructural evolution in nuclear fuel cladding and plasma-facing materials for fusion energy. Kyle carried out his PhD under the supervision of Anter El-Azab at Purdue University in 2022, studying mesoscale modeling of dislocation dynamics. During this time, he developed a new model for the continuum representation of dislocations at large deformations. He is an expert in mesoscale modeling, theoretical model development, and the finite element method.
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