CALPHAD modeling based on Gibbs energy functions from zero kevin and improved magnetic model: a case study on the Cr–Ni system
The third-generation thermodynamic database that adopts the physics-based models over a
wide temperature range is being developed in an attempt to increase the predictability and …
wide temperature range is being developed in an attempt to increase the predictability and …
A new thermodynamic modeling of the Ti–V system including the metastable ω phase
A new thermodynamic model based on the Einstein function with more physical significance
is used to describe the hcp, bcc, fcc, ω, liquid and amorphous phases for Ti and V from …
is used to describe the hcp, bcc, fcc, ω, liquid and amorphous phases for Ti and V from …
Current Status and Future Scope of Phase Diagram Studies
M Enoki, S Minamoto, I Ohnuma, T Abe, H Ohtani - ISIJ International, 2023 - jstage.jst.go.jp
Research on alloy phase diagrams started in the middle of the 19th century and progressed
into the laborious and time-consuming process of constructing phase diagrams through …
into the laborious and time-consuming process of constructing phase diagrams through …
Ways of estimating the heat capacity of crystalline phases
IA Uspenskaya, AS Ivanov, NM Konstantinova… - Russian Journal of …, 2022 - Springer
A brief review is presented of contemporary ways of estimating heat capacity and
determining their main advantages and disadvantages. Incremental schemes that predict …
determining their main advantages and disadvantages. Incremental schemes that predict …
A third generation Calphad Description of Fe: Revisions of fcc, hcp and Liquid
The thermodynamic description of pure Fe was re-assessed using updated third generation
Calphad models and taking into account the most recent theoretical data. In the present re …
Calphad models and taking into account the most recent theoretical data. In the present re …
Third-generation CALPHAD description of pure GeO2 at 1 atm
I Bajenova, A Khvan, M Derevyanko, N Aristova… - Calphad, 2021 - Elsevier
The thermodynamic properties of crystalline and liquid/amorphous phases of germanium
dioxide have been evaluated using DFT calculations and third-generation CALPHAD …
dioxide have been evaluated using DFT calculations and third-generation CALPHAD …
[HTML][HTML] Third generation Calphad: Thermodynamic assessment of the Ni-Ga system with physics-based models
Prediction of phase equilibria, phase stability, and thermodynamic properties is crucial in
materials science. The second generation Calphad (CALculation of PHAse Diagrams) …
materials science. The second generation Calphad (CALculation of PHAse Diagrams) …
Thermodynamics of 1-ethyl-3-methylimidazolium and 1-butyl-3-methylimidazolium chlorides
DA Kalinyuk, AI Druzhinina, LA Tiflova… - The Journal of Chemical …, 2023 - Elsevier
A comprehensive thermodynamic study of two ionic liquids EmimCl and BmimCl were
carried out by experimental and calculation methods. Isobaric heat capacity of crystal and …
carried out by experimental and calculation methods. Isobaric heat capacity of crystal and …
Critical assessment of the data for Pure Cu from 0 K, using two-state model for the description of the liquid phase
AV Khvan, IA Uspenskaya, NM Aristova - Calphad, 2024 - Elsevier
Critical assessment of the thermodynamic data for pure copper was carried using careful
analysis of the existing experimental data. An extended Einstein model was used for the …
analysis of the existing experimental data. An extended Einstein model was used for the …
Interest of the regular 2-state model for the description of unary liquids: Presentation of the formalism
P Benigni - Calphad, 2023 - Elsevier
The ideal 2-state model is exclusively used for describing the liquid phase in 3rd generation
CALPHAD work. However, not all types of liquids can be described using an ideal 2-state …
CALPHAD work. However, not all types of liquids can be described using an ideal 2-state …