An AI framework for time series microstructure prediction from processing parameters
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Engineering topics
Acar, Pinar
Publications and source records attributed to Acar, Pinar.
An AI-driven microstructure optimization framework for elastic properties of titanium beyond cubic crystal systems
Materials design aims to identify the material features that provide optimal properties for various engineering applications, such as aerospace, automotive, and naval. One of the important but challenging problems for materials design is to discover multiple polycrystalline microstructures with optimal properties. This paper proposes an end-to-end artificial intelligence (AI)-driven microstructure optimization framework for elastic properties of materials. In this work, the microstructure is represented by the Orientation Distribution Function (ODF) that determines the volume densities of crystallographic orientations. The framework was evaluated on two crystal systems, cubic and hexagonal, for Titanium (Ti) in Joint Automated Repository for Various Integrated Simulations (JARVIS) database and is expected to be widely applicable for materials with multiple crystal systems. The proposed framework can discover multiple polycrystalline microstructures without compromising the optimal property values and saving significant computational time.
36 MATERIALS SCIENCE↗
The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherever applicable to evaluate error/uncertainty in predictions. In addition to the existing workflows, the infrastructure can support a wide variety of other technologically important applications as part of the data-driven materials design paradigm. The JARVIS datasets and tools are publicly available at the website: https://jarvis.nist.gov .
36 MATERIALS SCIENCE↗
Microstructure optimization with constrained design objectives using machine learning-based feedback-aware data-generation
Microstructure sensitive design has a critical impact on the performance of engineering materials. The safety and performance requirements of critical components, as well as the cost of material and machining of Titanium components, make dovetailing of the microstructure imperative. This paper addresses the optimization of several microstructure design problems for Titanium components under specific design constraints using a feedback-aware data-driven solution methodology. In this study, the microstructure is modeled with an orientation distribution function (ODF) that measures the volumes of different crystallographic orientations. Two algorithms are used to sample the entire microstructure space followed by machine learning-aided identification of a minimal subset of ODF dimensions which is subsequently explored by targeted sampling. Conventional optimization methods lead to a unique microstructure rather than yielding a comprehensive space of optimal or near-optimal microstructures. Multiple solutions are crucial for the deployment of materials design for manufacturing as traditional manufacturing processes can only generate a limited set of microstructures. Our data sampling-based methodology not only outperforms or is on par with other optimization techniques in terms of the optimal property value, but also provides numerous near-optimal solutions, 3–4 orders of magnitude more than previous methods. Consequently, the proposed framework delivers a spectrum of optimal solutions in the microstructure space which can accelerate materials development and reduce manufacturing costs.
36 MATERIALS SCIENCE↗