Understanding and design of metallic alloys guided by phase-field simulations

Y Zhao - npj Computational Materials, 2023 - nature.com
Phase-field method (PFM) has become a mainstream computational method for predicting
the evolution of nano and mesoscopic microstructures and properties during materials …

From classical thermodynamics to phase-field method

LQ Chen, Y Zhao - Progress in Materials Science, 2022 - Elsevier
Phase-field method is a density-based computational method at the mesoscale for modeling
and predicting the temporal microstructure and property evolution during materials …

Atomic‐Level Design of Active Site on Two‐Dimensional MoS2 toward Efficient Hydrogen Evolution: Experiment, Theory, and Artificial Intelligence Modelling

C Sun, L Wang, W Zhao, L **e, J Wang… - Advanced Functional …, 2022 - Wiley Online Library
Atom‐economic catalysts open a new era of computationally driven atomistic design of
catalysts. Rationally manipulating the structures of the catalyst with atomic‐level precision …

[HTML][HTML] MA2Z4 family heterostructures: Promises and prospects

CC Tho, SD Guo, SJ Liang, WL Ong, CS Lau… - Applied Physics …, 2023 - pubs.aip.org
Recent experimental synthesis of ambient-stable MoSi 2 N 4 monolayer has garnered
enormous research interest. The intercalation morphology of MoSi 2 N 4—composed of a …

Accelerating materials discovery using machine learning

Y Juan, Y Dai, Y Yang, J Zhang - Journal of Materials Science & …, 2021 - Elsevier
The discovery of new materials is one of the driving forces to promote the development of
modern society and technology innovation, the traditional materials research mainly …

Progress and challenges for memtransistors in neuromorphic circuits and systems

X Yan, JH Qian, VK Sangwan… - Advanced Materials, 2022 - Wiley Online Library
Due to the increasing importance of artificial intelligence (AI), significant recent effort has
been devoted to the development of neuromorphic circuits that seek to emulate the energy …

[HTML][HTML] Scope of machine learning in materials research—A review

MH Mobarak, MA Mimona, MA Islam, N Hossain… - Applied Surface Science …, 2023 - Elsevier
This comprehensive review investigates the multifaceted applications of machine learning in
materials research across six key dimensions, redefining the field's boundaries. It explains …

From prediction to design: recent advances in machine learning for the study of 2D materials

H He, Y Wang, Y Qi, Z Xu, Y Li, Y Wang - Nano Energy, 2023 - Elsevier
Although data-driven approaches have made significant strides in various scientific fields,
there has been a lack of systematic summaries and discussions on their application in 2D …

A bright future for engineering piezoelectric 2D crystals

PC Sherrell, M Fronzi, NA Shepelin… - Chemical Society …, 2022 - pubs.rsc.org
The piezoelectric effect, mechanical-to-electrical and electrical-to-mechanical energy
conversion, is highly beneficial for functional and responsive electronic devices. To fully …

2D materials-based nanoscale tunneling field effect transistors: current developments and future prospects

S Kanungo, G Ahmad, P Sahatiya… - npj 2D Materials and …, 2022 - nature.com
The continuously intensifying demand for high-performance and miniaturized semiconductor
devices has pushed the aggressive downscaling of field-effect transistors (FETs) design …