A physics informed bayesian optimization approach for material design: application to NiTi shape memory alloys

D Khatamsaz, R Neuberger, AM Roy… - npj Computational …, 2023 - nature.com
The design of materials and identification of optimal processing parameters constitute a
complex and challenging task, necessitating efficient utilization of available data. Bayesian …

ET-AL: Entropy-targeted active learning for bias mitigation in materials data

H Zhang, WW Chen, JM Rondinelli… - Applied Physics Reviews, 2023 - pubs.aip.org
Growing materials data and data-driven informatics drastically promote the discovery and
design of materials. While there are significant advancements in data-driven models, the …

Towards inverse microstructure-centered materials design using generative phase-field modeling and deep variational autoencoders

V Attari, D Khatamsaz, D Allaire, R Arroyave - Acta Materialia, 2023 - Elsevier
Abstract The field of Integrated Computational Materials Engineering (ICME) combines a
broad range of methods to study materials' responses over a spectrum of length scales. A …

Lightweight, low cost compositionally complex multiphase alloys with optimized strength, ductility and corrosion resistance: Discovery, design and mechanistic …

JJ Bhattacharyya, SB Inman, MA Wischhusen, J Qi… - Materials & Design, 2023 - Elsevier
A strategy for designing compositionally complex alloys (CCAs) achieving multiple
objectives is articulated. In this specific case, the objectives are low density and cost, along …

Metal AM process-structure-property relational linkages using Gaussian process surrogates

RN Saunders, K Teferra, A Elwany… - Additive …, 2023 - Elsevier
In metal additive manufacturing (AM), with sufficient understanding of process-structure–
property (PSP) relational linkages, the control of build parameters can produce parts with …

Overview: Machine Learning for Segmentation and Classification of Complex Steel Microstructures

M Müller, M Stiefel, BI Bachmann, D Britz, F Mücklich - Metals, 2024 - mdpi.com
The foundation of materials science and engineering is the establishment of process–
microstructure–property links, which in turn form the basis for materials and process …

[PDF][PDF] Structure-property modeling scheme based on optimized microstructural information by two-point statistics and principal component analysis

X Hu, J Zhao, Y Chen, Y Wang, J Li, Q Wu, Z Wang… - J. Mater. Inform, 2022 - f.oaes.cc
Construction of the structure-property (SP) relationship is an important tenet during materials
development. Optimizing microstructural information is a necessary and challenging task in …

A process-structure-property model via physics-based/data-driven hybrid methods for freeze-cast porous ceramics in Si3N4-Si2N2O case system

X Liao, M Liao, C Wei, Z Huang, W Duan, X Duan… - Acta Materialia, 2024 - Elsevier
For the engineering applications of freeze-cast porous ceramics, the demand targets are
often multiple and competing, which is a challenging problem to seek a Nash equilibrium in …

[HTML][HTML] Digital fingerprinting of microstructures

MD White, A Tarakanov, PJ Withers, CP Race… - Computational Materials …, 2023 - Elsevier
Finding efficient means of quantitatively describing material microstructure is a critical step
towards harnessing data-centric machine learning approaches to understanding and …

[HTML][HTML] Causal emergent principles and relations for mechanical properties of covalent and ionic crystals

Z Hu, J Yu - AIP Advances, 2024 - pubs.aip.org
A knowledge and data-synergized intelligent computation architecture for materials was
proposed within the data science paradigm. As a vital operation, two digital ensemble …