Results 91 to 100 of about 4,338 (236)

Thermodynamic investigations of the uranium-molybdenum-oxygen system by a coupling of density functional theory and CALPHAD methodologies

open access: yes, 2018
This paper examines the development of a consistent thermodynamic model for the uranium (U) - molybdenum (Mo) - oxygen (0) system for incorporation into the Thermodynamics of Advanced Fuels - International Database (TAF-ID).
E.C. Corcoran   +9 more
core   +1 more source

Non-Stoichiometry and Calphad Modeling of Frank-Kasper Phases

open access: yesApplied Sciences, 2012
One of the many singularities of Frank-Kasper phases is their ability to accommodate extremely large composition ranges by atom mixing on the different sites of the crystal structures.
Jean-Marc Joubert, Jean-Claude Crivello
doaj   +1 more source

Dehydrogenation Thermodynamic and Kinetic Challenges of Mg‐Ni‐Based Alloy Hydrides

open access: yesRare Metals, Volume 45, Issue 6, June 2026.
ABSTRACT Solid‐state hydrogen storage stands as a pivotal, safe, and efficient solution for the future hydrogen economy. Among diverse hydrogen storage systems, Mg‐Ni‐based alloy hydrides are recognized as cornerstone materials. However, their practical application is hindered by two core challenges: the high thermodynamic stability of the hydride ...
Jinglan He   +6 more
wiley   +1 more source

Microstructure Evolution in Directionally Solidified Fe–C–Mn–(Si) Peritectic Steels

open access: yessteel research international, Volume 97, Issue 6, Page 3133-3142, June 2026.
This study investigates how growth velocity and silicon additions affect dendritic morphology, primary arm spacing, and mushy‐zone evolution in directionally solidified quaternary peritectic steels. Silicon substantially broadens the freezing range and lengthens the mushy zone, increasing susceptibility to interdendritic cracking.
André Phillion   +4 more
wiley   +1 more source

Oxide Database Development for FactSage

open access: yes, 2001
1
Hyun-Min Kim   +5 more
core  

Thermodynamic investigation of the galvanizing systems, I : Refinement of the thermodynamic description for the Fe-Zn system

open access: yes, 2009
The thermodynamic description for the Fe-Zn system was updated using CALPHAD approach. A set of self-consistent thermodynamic model parameters for this system was obtained by considering the available experimental data.
Xiong, Wei,   +5 more
core   +1 more source

Phase Diagrams of Ternary and Multicomponent Rare‐Earth Sesquioxide (RE2O3) Systems (RE = All Lanthanides, Y, and Sc)

open access: yesJournal of the American Ceramic Society, Volume 109, Issue 6, June 2026.
ABSTRACT A comprehensive CALPHAD‐based thermodynamic framework was developed to predict the phase diagrams and thermodynamic properties of ternary and multicomponent RE2O3 systems using the optimized model parameters of the unary and binary RE2O3 systems.
Jeong‐Min Cheon, In‐Ho Jung
wiley   +1 more source

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