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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Alloy Development for Energy Technologies: ICME Gap Analysis
Presentation Title VPSC's New Clothes: Developing a Modern MATLAB API for Automating High-throughput VPSC Experiments
Author(s) Benjamin A. Begley, Victoria M. Miller
On-Site Speaker (Planned) Benjamin A. Begley
Abstract Scope Though lower fidelity than full-field crystal plasticity models, the computationally inexpensive viscoplastic self-consistent model (VPSC) should excel in the high-throughput, rapid-iteration ICME paradigm. However, the text-file interface creates a steep learning curve, and lack of published automation tools for VPSC limits its potential value for ICME. The authors discuss development of a modern application programming interface (API) in MATLAB which streamlines user interaction without sacrificing the original nuance, and which includes functionality for automating VPSC experiments. The MTEX toolbox—a library of MATLAB code for representing and transforming crystallographic, microstructural, and deformation data—is used as the exemplar for an easy-to-learn modern API, with a planned integration of the VPSC automation API into the MTEX toolbox for wider accessibility. To demonstrate the high-throughput capabilities, a case study uses the VPSC automation API as part of an ICME strategy to optimize the energy efficiency of titanium alloy processing.
Proceedings Inclusion? Planned:
Keywords ICME, Modeling and Simulation, Titanium

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Data Quality Evaluation and Influence on the Predictability of Data-Driven Alloy Design
Design of Creep-resistant Additively Manufactured Stainless Steels for Nuclear Reactors
Electronic NIST/TRC Resource for Thermophysical Property Data of Metal Systems
ExtremeMat: towards Microstructure and Composition Sensitive Models for the Creep Deformation of Engineering Steels
Filling Data Gaps with ICME Tools and Identifying Data Gaps in ICME Tools: A Case Study in Precipitation Kinetics
M-15: Molecular Dynamics Study of Gradient Energy Coefficient and Grain-boundary Migration in Aluminum Foam
Materials-by-Design Utilizing ICME Tools and Crucial Next-generation Needs
Phase-field Modeling of Aluminum Foam Based on Molecular Dynamics Simulations
Phase Field Dislocation Dynamics Modeling of Shearing Modes in Ni2(Cr,Mo,W)-containing HAYNES® 244® Superalloy
Theory-guided Design of High-strength, Ductile Multi-principal-element Alloys with Validation for High-temperature Energy Technologies
Towards FAIR Simulation Workflows: nanoHUB’s Sim2Ls and ResultsDB
Unsupervised Techniques for Outlier Identification in Alloy Datasets
Voxelized Representations of Atomic Systems for Machine Learning Applications
VPSC's New Clothes: Developing a Modern MATLAB API for Automating High-throughput VPSC Experiments

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