Theory of cross phenomena and their coefficients beyond Onsager theorem

ZK Liu - Materials Research Letters, 2022 - Taylor & Francis
Cross phenomena, representing responses of a system to external stimuli, are ubiquitous
from quantum to macro scales. The Onsager theorem is often used to describe them, stating …

The contribution of artificial intelligence to phase change materials in thermal energy storage: From prediction to optimization

S Liu, J Han, Y Shen, SY Khan, W Ji, H Jin, M Kumar - Renewable Energy, 2024 - Elsevier
Artificial Intelligence (AI) is leading the charge in revolutionizing research methodologies
within the field of latent heat storage (LHS) by using phase change materials (PCMs) and …

Machine learning guided hydrothermal synthesis of thermochromic VO2 nanoparticles

Y Chen, H Ji, M Lu, B Liu, Y Zhao, Y Ou, Y Wang… - Ceramics …, 2023 - Elsevier
Vanadium dioxide (VO 2) is a promising material for energy-saving smart windows due to its
reversible metal-to-insulator transition near room temperature, concomitantly with a …

A novel neural network-based alloy design strategy: Gated recurrent unit machine learning modeling integrated with orthogonal experiment design and data …

J Yin, Q Lei, X Li, X Zhang, X Meng, Y Jiang, L Tian… - Acta Materialia, 2023 - Elsevier
Abstract Machine learning-aided alloy design has recently attracted broad interest among
the materials science community. However, the prediction accuracy of general machine …

Genomic materials design: calculation of phase dynamics

GB Olson, ZK Liu - Calphad, 2023 - Elsevier
The CALPHAD system of fundamental phase-level databases, now known as the Materials
Genome, has enabled a mature technology of computational materials design and …

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

ML Evans, J Bergsma, A Merkys, CW Andersen… - Digital …, 2024 - pubs.rsc.org
The Open Databases Integration for Materials Design (OPTIMADE) application
programming interface (API) empowers users with holistic access to a growing federation of …

Electrochemical and kinetic analysis of Ce recovery using Ga electrode in LiCl-KCl melt

L Ding, S Yang, Y Yan, Y Xue, F Ma, K Zhu… - Separation and …, 2023 - Elsevier
Electrode material is an obstacle to the application of molten salt electrolysis in Ce recovery.
Liquid Ga is a potential candidate for the cathode, but the corresponding reaction process …

Extensible Structure-Informed Prediction of Formation Energy with improved accuracy and usability employing neural networks

AM Krajewski, JW Siegel, J Xu, ZK Liu - Computational Materials Science, 2022 - Elsevier
In the present paper, we introduce a new neural network-based tool for the prediction of
formation energies of atomic structures based on elemental and structural features of …

[HTML][HTML] Efficient alloy design strategy for fast searching for high-entropy alloys with desired mechanical properties

J Gong, Y Li, S Liang, W Lu, Y Wang, Z Chen - Materials & Design, 2024 - Elsevier
The exponentially large compositional space of high entropy alloys (HEAs) offers more
possibilities for designing alloys with desired properties. However, it also poses challenges …

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 …