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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Simulations/Experiments Integration for Next Generation Hypersonic Materials
Presentation Title How Do You Integrate Both Simulations and Experiments into a Materials Discovery Optimization Campaign? A Case Study in Multi-fidelity Optimization
Author(s) Ramsey Issa, Sterling G. Baird, Taylor D. Sparks
On-Site Speaker (Planned) Sterling G. Baird
Abstract Scope Fidelity is the "degree to which the simulator replicates reality" (Alessi 2000). In materials science, simulations and experiments can have multiple fidelities: for example, increasing the mesh resolution of a finite element analysis (FEA) simulation (continuous fidelity), using low-temperature tests as a proxy for high-temperature ones (continuous fidelity), or using hardness measurements as a proxy for expensive ASTM tensile tests (discrete fidelity). Here, we focus on the case of continuous multi-fidelity optimization. We compare adaptive design cost of a ten-variable physics-based particle packing simulation for low-fidelity, high-fidelity, and multi-fidelity (knowledge gradient acquisition) optimization with the number of dropped particles as the fidelity parameter. When designing composites, ceramics, or multi-principal-element alloys (MPEAs), the design spaces are often high-dimensional and subject to similar constraints. State-of-the-art multi-fidelity optimization algorithms that synergistically integrate simulations with experiments in an adaptive design setup have the potential to dramatically accelerate the design of next-generation extreme-condition materials.
Proceedings Inclusion? Planned:
Keywords High-Temperature Materials, Modeling and Simulation, Machine Learning


Accelerating a Digital Twin of Direct Energy Deposition Additive Manufacturing
Composite Metal/Ceramic Coatings with Exceptional Thermal Shock Resistance
Computational Design of Ni-based SX Superalloys: A Critical Assessment of Machine-learned and Thermodynamic Models in View of Experimental Properties
Computational Discovery and Experimental Validation of Ultra-high Strength BCC Refractory Metal-based MPEAs for Extreme Environments
Degradation Resistance of Refractory Multi-principal Element Alloys for Extreme Environments
High-throughput CALPHAD Exploration of Multi-principal Element Alloy (MPEA) Space for Targeted Properties and Structure
How Do You Integrate Both Simulations and Experiments into a Materials Discovery Optimization Campaign? A Case Study in Multi-fidelity Optimization
Material Design by Additive Manufacturing of Multi-component Metal Alloys
Modeling Thermomechanical Buckling in Combined Extreme Environments
On the Deformation Processes of BCC Refractory Complex Concentrated Alloys
Phase Transforming Metal-ceramic Multilayers for Ultrahigh Temperatures
Simultaneous Bayesian Calibration of Strength, Kinetics, and Phase Boundaries

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