A comprehensive review of solid oxide fuel cells operating on various promising alternative fuels
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 …
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
The microstructure, thermal and mechanical stability of Ni-based single crystalline
superalloys depend strongly on the alloying elements and their concentrations. Alloying has …
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 …
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 …
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 …
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
Starting from first-principles projector-augmented wave method, finite temperature
thermodynamic properties of Ni and Ni3Al, including thermal expansion coefficient, bulk …
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
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 …
barrier coatings (TBCs) during service. However, its measurements are limited due to …
A lightweight single-phase AlTiVCr compositionally complex alloy
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 …
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 …
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 …
that are not easily accessible in the laboratory. This is particularly true in the Earth sciences …