[HTML][HTML] Accelerated discovery of nanostructured high-entropy and multicomponent alloys via high-throughput strategies

C Cheng, Y Zou - Progress in Materials Science, 2025 - Elsevier
Nanostructured materials (NsMs) exhibit many interesting and useful properties; yet they are
generally unstable at elevated temperatures limiting their process methods and applications …

High energy absorption design of porous metals using deep learning

M Tang, L Wang, Z Xin, Z Luo - International Journal of Mechanical …, 2024 - Elsevier
Due to its remarkable energy absorption properties, porous metals have widespread
applications in engineering. However, the high randomness of pore morphology greatly …

Efficient structure-informed featurization and property prediction of ordered, dilute, and random atomic structures

AM Krajewski, JW Siegel, ZK Liu - Computational Materials Science, 2025 - Elsevier
Abstract Structure-informed materials informatics is a rapidly evolving discipline of materials
science relying on the featurization of atomic structures or configurations to construct vector …

Application of machine learning in polyimide structure design and property regulation

W Huo, H Wang, L Guo, R Zheng… - High Performance …, 2025 - journals.sagepub.com
Polyimide (PI) is widely used in modern industry due to its excellent properties. Its synthesis
methods and property research have significantly progressed. However, the design and …

Efficient Generation of Grids and Traversal Graphs in Compositional Spaces towards Exploration and Path Planning Exemplified in Materials

AM Krajewski, AM Beese, WF Reinhart… - arXiv preprint arXiv …, 2024 - arxiv.org
Many disciplines of science and engineering deal with problems related to compositions,
ranging from chemical compositions in materials science to portfolio compositions in …

High-entropy oxides as energy materials: from complexity to rational design

Z Yang, X Xiang, J Yang, ZY Zhao - Materials Futures, 2024 - iopscience.iop.org
Abstract High-entropy oxides (HEOs), with their multi-principal-element compositional
diversity, have emerged as promising candidates in the realm of energy materials. This …

Denoising diffusion probabilistic models for generative alloy design

P Fernandez-Zelaia, S Thapliyal, R Kannan… - Additive …, 2024 - Elsevier
Inverse material design is an extremely challenging optimization task made difficult by, in
part, the highly nonlinear relationship linking performance with composition. Quantitative …

Data-driven inverse design of MoNbTiVWZr refractory multicomponent alloys: Microstructure and mechanical properties

L Raman, A Debnath, E Furton, S Lin… - Materials Science and …, 2024 - Elsevier
Multicomponent refractory alloys have the potential to operate in high-temperature
environments. Alloys with heterogeneous/composite microstructure exhibit an optimal …

Efficient generation of grids and traversal graphs in compositional spaces towards exploration and path planning

AM Krajewski, AM Beese, WF Reinhart… - npj Unconventional …, 2024 - nature.com
Diverse disciplines across science and engineering deal with problems related to
compositions, which exist in non-Euclidean simplex spaces, rendering many standard tools …

Supervised machine learning for multi-principal element alloy structural design

J Berry, KA Christofidou - Materials Science and Technology, 2024 - journals.sagepub.com
The application of supervised Machine Learning (ML) in material science, especially
towards the design of structural Multi-Principal Element Alloys (MPEAs) has rapidly …