Sustainable high-entropy materials?
High-entropy materials (HEMs) show inspiring structural and functional properties due to
their multi-elemental compositions. However, most HEMs are burdened by cost-, energy …
their multi-elemental compositions. However, most HEMs are burdened by cost-, energy …
2D Molecular Crystals for Electronic and Optoelectronic Devices: Status and Challenges
Y Ma, M Wang, T Zhai - Advanced Materials, 2025 - Wiley Online Library
Abstract 2D molecular crystals (2D MCs) are an emerging family of 2D materials formed by
organic or inorganic molecules held together entirely by weak intermolecular forces. 2D …
organic or inorganic molecules held together entirely by weak intermolecular forces. 2D …
[HTML][HTML] First-principles assisted design of high-entropy thermoelectric materials based on half-Heusler alloys
C Zhang, N Yan, C Zhao, B Wei - Journal of Applied Physics, 2025 - pubs.aip.org
The deformation potential theory and semi-classical Boltzmann theory were combined to
predict the thermoelectric performances of half-Heusler NaCuTe alloy and Li 0.5 Na 0.5 …
predict the thermoelectric performances of half-Heusler NaCuTe alloy and Li 0.5 Na 0.5 …
[HTML][HTML] Accelerating the discovery of low-energy structure configurations: a computational approach that integrates first-principles calculations, Monte Carlo sampling …
Abstract Finding Minimum Energy Configurations (MECs) is essential in fields such as
physics, chemistry, and materials science, as they represent the most stable states of the …
physics, chemistry, and materials science, as they represent the most stable states of the …
Recent machine learning-driven investigations into high entropy alloys: a comprehensive review
The exploration of high entropy alloys (HEAs) primarily relies on trial-and-error experiments
and multiscale modelling, which are time-consuming and resource-intensive. Recently …
and multiscale modelling, which are time-consuming and resource-intensive. Recently …
Nonequilibrium chemical short-range order in metallic alloys
Thermal creep behavior of refractory high-entropy alloy: an atomistic study
Refractory high-entropy alloy (RHEA) is a promising class of materials with potential
applications in extreme environments, where the dominant failure mode is thermal creep …
applications in extreme environments, where the dominant failure mode is thermal creep …
Order to disorder transition due to entropy in layered and 2D carbides
There is controversy surrounding the moniker “high-entropy” materials due to the unclear
effect of entropy and enthalpy. The unique nanolayered structure of MAX phases, with its …
effect of entropy and enthalpy. The unique nanolayered structure of MAX phases, with its …