A comprehensive review of solid oxide fuel cells operating on various promising alternative fuels

Q Xu, Z Guo, L Xia, Q He, Z Li, IT Bello, K Zheng… - Energy Conversion and …, 2022 - Elsevier
Solid oxide fuel cells (SOFCs) are promising clean and efficient power generation devices.
Unlike low temperature fuel cells, SOFCs could run on various alternative fuels such as …

Microstructural and compositional design of Ni-based single crystalline superalloys―A review

H Long, S Mao, Y Liu, Z Zhang, X Han - Journal of Alloys and Compounds, 2018 - Elsevier
The microstructure, thermal and mechanical stability of Ni-based single crystalline
superalloys depend strongly on the alloying elements and their concentrations. Alloying has …

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 …

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 …

Thermodynamics and its prediction and CALPHAD modeling: Review, state of the art, and perspectives

ZK Liu - Calphad, 2023 - Elsevier
Thermodynamics is a science concerning the state of a system, whether it is stable,
metastable, or unstable, when interacting with its surroundings. The combined law of …

First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al

SL Shang, Y Wang, DE Kim, ZK Liu - Computational Materials Science, 2010 - Elsevier
Starting from first-principles projector-augmented wave method, finite temperature
thermodynamic properties of Ni and Ni3Al, including thermal expansion coefficient, bulk …

Unveiling thermal stresses in RETaO4 (RE= Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er) by first-principles calculations and finite element simulations

M Gan, X Chong, T Lu, C Yang, W Yu, SL Shang… - Acta Materialia, 2024 - Elsevier
Thermal stress (σ) plays a critical role in regulating the stability and durability of thermal
barrier coatings (TBCs) during service. However, its measurements are limited due to …

A lightweight single-phase AlTiVCr compositionally complex alloy

Y Qiu, YJ Hu, A Taylor, MJ Styles, RKW Marceau… - Acta Materialia, 2017 - Elsevier
Abstract A lightweight (5.06 g cm− 3) AlTiVCr compositionally complex alloy consisting of
four elements is presented. Interest in the system is due to its microstructural uniformity and …

First-principles calculations and CALPHAD modeling of thermodynamics

ZK Liu - Journal of phase equilibria and diffusion, 2009 - Springer
Thermodynamics is the key component of materials science and engineering. The
manifestation of thermodynamics is typically represented by phase diagrams, traditionally for …

Density-functional perturbation theory for quasi-harmonic calculations

S Baroni, P Giannozzi, E Isaev - Reviews in Mineralogy …, 2010 - pubs.geoscienceworld.org
Computer simulations allow for the investigation of many materials properties and processes
that are not easily accessible in the laboratory. This is particularly true in the Earth sciences …