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 …
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 …
Application of the thermodynamic extremal principle to diffusion-controlled phase transformations in Fe-CX alloys: Modeling and applications
Diffusion-controlled phase transformations are of singular importance in controlling
microstructures and mechanical properties but are difficult to model and calculate for Fe-CX …
microstructures and mechanical properties but are difficult to model and calculate for Fe-CX …
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 …
An introduction to phase-field modeling of microstructure evolution
N Moelans, B Blanpain, P Wollants - Calphad, 2008 - Elsevier
The phase-field method has become an important and extremely versatile technique for
simulating microstructure evolution at the mesoscale. Thanks to the diffuse-interface …
simulating microstructure evolution at the mesoscale. Thanks to the diffuse-interface …
DICTRA, a tool for simulation of diffusional transformations in alloys
In the present paper, a general survey of the diffusion-controlled transformations (DICTRA)
software is given. DICTRA is an engineering tool for diffusion simulations in multicomponent …
software is given. DICTRA is an engineering tool for diffusion simulations in multicomponent …
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 …
Development of a diffusion mobility database for Ni-base superalloys
CE Campbell, WJ Boettinger, UR Kattner - Acta Materialia, 2002 - Elsevier
For the fcc phase of the Ni–Al–Co–Cr–Hf–Mo–Re–Ta–Ti–W system, diffusion data in various
constituent binary systems were assessed to establish a multicomponent diffusion mobility …
constituent binary systems were assessed to establish a multicomponent diffusion mobility …
Diffusion in high entropy alloy systems–a review
High entropy alloys (HEAs) represent a class of multicomponent alloys that have garnered
significant attention within materials community over the past two decades, largely due to …
significant attention within materials community over the past two decades, largely due to …
A quantitative and thermodynamically consistent phase-field interpolation function for multi-phase systems
N Moelans - Acta Materialia, 2011 - Elsevier
The aimed properties of the interpolation functions used in quantitative phase-field models
for two-phase systems do not extend to multi-phase systems. Therefore, a new type of …
for two-phase systems do not extend to multi-phase systems. Therefore, a new type of …