Explainable machine learning in materials science

X Zhong, B Gallagher, S Liu, B Kailkhura… - npj computational …, 2022 - nature.com
Abstract Machine learning models are increasingly used in materials studies because of
their exceptional accuracy. However, the most accurate machine learning models are …

Computational microstructure characterization and reconstruction: Review of the state-of-the-art techniques

R Bostanabad, Y Zhang, X Li, T Kearney… - Progress in Materials …, 2018 - Elsevier
Building sensible processing-structure-property (PSP) links to gain fundamental insights and
understanding of materials behavior has been the focus of many works in computational …

Carbon–cement supercapacitors as a scalable bulk energy storage solution

N Chanut, D Stefaniuk, JC Weaver… - Proceedings of the …, 2023 - National Acad Sciences
The large-scale implementation of renewable energy systems necessitates the development
of energy storage solutions to effectively manage imbalances between energy supply and …

Characterization and analysis of porosity and pore structures

LM Anovitz, DR Cole - Reviews in Mineralogy and …, 2015 - pubs.geoscienceworld.org
Porosity plays a clearly important role in geology. It controls fluid storage in aquifers, oil and
gas fields and geothermal systems, and the extent and connectivity of the pore structure …

Accelerating phase-field-based microstructure evolution predictions via surrogate models trained by machine learning methods

D Montes de Oca Zapiain, JA Stewart… - npj Computational …, 2021 - nature.com
The phase-field method is a powerful and versatile computational approach for modeling the
evolution of microstructures and associated properties for a wide variety of physical …

Guiding the design of heterogeneous electrode microstructures for Li‐ion batteries: microscopic imaging, predictive modeling, and machine learning

H Xu, J Zhu, DP Finegan, H Zhao, X Lu… - Advanced Energy …, 2021 - Wiley Online Library
Electrochemical and mechanical properties of lithium‐ion battery materials are heavily
dependent on their 3D microstructure characteristics. A quantitative understanding of the …

Microstructural materials design via deep adversarial learning methodology

Z Yang, X Li, L Catherine Brinson… - Journal of …, 2018 - asmedigitalcollection.asme.org
Identifying the key microstructure representations is crucial for computational materials
design (CMD). However, existing microstructure characterization and reconstruction (MCR) …

An improved 3D microstructure reconstruction approach for porous media

KQ Li, Y Liu, ZY Yin - Acta Materialia, 2023 - Elsevier
Microstructure reconstruction of porous media is vital for the evaluation of material
properties, which has been applied in many fields. Various approaches have been …

[图书][B] Stochastic geometry and its applications

SN Chiu, D Stoyan, WS Kendall, J Mecke - 2013 - books.google.com
An extensive update to a classic text Stochastic geometry and spatial statistics play a
fundamental role in many modern branches of physics, materials sciences, engineering …

GPU-based discrete element model of realistic non-convex aggregates: Mesoscopic insights into ITZ volume fraction and diffusivity of concrete

W Xu, M Jia, W Guo, W Wang, B Zhang, Z Liu… - Cement and Concrete …, 2023 - Elsevier
Aggregates with realistic non-convex morphologies and their surrounding interfacial
transition zones (ITZs) significantly affect the diffusivity of concrete. Herein, we initially …