Computational thermodynamics and its applications

ZK Liu - Acta Materialia, 2020 - Elsevier
Thermodynamics is a science concerning the state of a system, whether it is stable,
metastable or unstable, when interacting with the surroundings. In this overview …

Next-generation thermoelectric cooling modules based on high-performance Mg3 (Bi, Sb) 2 material

J Yang, G Li, H Zhu, N Chen, T Lu, J Gao, L Guo… - Joule, 2022 - cell.com
As the core component of any real thermoelectric cooling system, the Bi 2 Te 3-based
modules have been used for decades. Recently, n-type Mg 3 (Bi, Sb) 2 material was …

Chemical randomness, lattice distortion and the wide distributions in the atomic level properties in high entropy alloys

DS Aidhy - Computational Materials Science, 2024 - Elsevier
High entropy alloys (HEAs) consist of multiple elements present in large proportions that are
randomly distributed on a crystal lattice. On the one hand, the presence of multiple elements …

Exceptionally High Ionic Conductivity in Na3P0.62As0.38S4 with Improved Moisture Stability for Solid‐State Sodium‐Ion Batteries

Z Yu, SL Shang, JH Seo, D Wang, X Luo… - Advanced …, 2017 - Wiley Online Library
Inspired by the success of the Li-ion SSEs, considerable efforts have recently been made on
the development of Na-ion sulfidebased SSEs. Glass-ceramic electrolyte Na3PS4[7a, 10] …

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 …

Interstitial effects on the incipient plasticity and dislocation behavior of a metastable high-entropy alloy: nanoindentation experiments and statistical modeling

K Gan, D Yan, S Zhu, Z Li - Acta Materialia, 2021 - Elsevier
Owing to the partial dislocation assisted twinning and/or displacive transformation upon
stress loading, metastable high-entropy alloys (HEAs) and their interstitial variants have …

A computational mechanical constitutive modeling method based on thermally-activated microstructural evolution and strengthening mechanisms

M Lei, G Sun, G Yang, B Wen - International Journal of Plasticity, 2024 - Elsevier
A mechanical constitutive relationship is the basis for the design and application of structural
materials, and the establishment of a mechanical constitutive relationship generally relies on …

Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2

SL Shang, G Lindwall, Y Wang, JM Redwing… - Nano …, 2016 - ACS Publications
Unprecedented interest has been spurred recently in two-dimensional (2D) layered
transition metal dichalcogenides (TMDs) that possess tunable electronic and optical …

Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance

W Chen, X Ding, Y Feng, X Liu, K Liu, ZP Lu… - Journal of Materials …, 2018 - Elsevier
Because atoms in high-entropy alloys (HEAs) coordinate in very different and distorted local
environments in the lattice sites, even for the same type of constituent, their point defects …

A selenium-mediated layer-by-layer synthetic strategy for multilayered multicomponent nanocrystals

C Hu, Y Zhang, R Ren, J Xu, L Liu, Q Kong, Z Hu… - Nature …, 2024 - nature.com
Ordered heterostructured nanocrystals with large compositional and morphological diversity
are important for many applications. However, design of multicomponent nanostructures at …