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 …
[HTML][HTML] Thermal stability of aluminum alloys
F Czerwinski - Materials, 2020 - mdpi.com
Thermal stability, determining the material ability of retaining its properties at required
temperatures over extended service time, is becoming the next frontier for aluminum alloys …
temperatures over extended service time, is becoming the next frontier for aluminum alloys …
Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials
Machine learning of atomic-scale properties is revolutionizing molecular modeling, making it
possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the …
possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the …
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 …
Fundamentals of aluminium metallurgy: recent advances
R Lumley - 2018 - books.google.com
Fundamentals of Aluminium Metallurgy: Recent Advances updates the very successful book
Fundamentals of Aluminium Metallurgy. As the technologies related to casting and forming …
Fundamentals of Aluminium Metallurgy. As the technologies related to casting and forming …
[HTML][HTML] Design of solute clustering during thermomechanical processing of AA6016 Al–Mg–Si alloy
Solute clustering is a technologically important microstructural process in Al alloys. Exerting
control over this process to enhance the alloy properties and reduce the energy costs of …
control over this process to enhance the alloy properties and reduce the energy costs of …
Diffusion coefficients of alloying elements in dilute Mg alloys: A comprehensive first-principles study
First-principles calculations based on density functional theory have been used to calculate
the temperature-dependent dilute tracer diffusion coefficients for 47 substitutional alloying …
the temperature-dependent dilute tracer diffusion coefficients for 47 substitutional alloying …
[HTML][HTML] Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
Facile ionic mobility within host frameworks is crucial to the design of high-energy-density
batteries with high-power-densities, where the migration barrier (E m) is the governing …
batteries with high-power-densities, where the migration barrier (E m) is the governing …
Enabling fast-charging capability for all-solid-state lithium-ion batteries
LIBs are rapidly adopted in grid storage, portable electronic devices, and EVs as excellent
energy storage devices. Due to the advancements in high energy density and safety …
energy storage devices. Due to the advancements in high energy density and safety …
Release kinetics as a key linkage between the occurrence of flame retardants in microplastics and their risk to the environment and ecosystem: A critical review
H Cheng, H Luo, Y Hu, S Tao - Water research, 2020 - Elsevier
The widely occurring debris of plastic materials, particularly microplastics, can be an
important source of flame retardants, which are one of the main groups of chemicals added …
important source of flame retardants, which are one of the main groups of chemicals added …