The specific heat of astro-materials: review of theoretical concepts, materials, and techniques

J Biele, M Grott, ME Zolensky, A Benisek… - International Journal of …, 2022 - Springer
We provide detailed background, theoretical and practical, on the specific heat of minerals
and mixtures thereof,'astro-materials,'as well as background information on common …

A self-consistent model to describe the temperature dependence of the bulk modulus, thermal expansion and molar volume compatible with 3rd generation CALPHAD …

G Deffrennes, B Oudot - Calphad, 2021 - Elsevier
Variation of volume with temperature is a significant engineering consideration for numerous
applications. In addition, the molar volume is a central property along with the bulk modulus …

[HTML][HTML] A framework to predict binary liquidus by combining machine learning and CALPHAD assessments

G Deffrennes, K Terayama, T Abe, E Ogamino… - Materials & Design, 2023 - Elsevier
Abstract Knowledge of the liquidus is important for the design and processing of many
materials. For instance, deep eutectics are important for the design of metallic glasses, and …

CALPHAD modeling of the glass transition for a pure substance, coupling thermodynamics and relaxation kinetics

P Benigni - Calphad, 2021 - Elsevier
A coupled thermodynamic/kinetic CALPHAD type modeling of the glass transition for a glass
forming unary substance is proposed. In this quantitative modeling, the vibrational …

Thermodynamic modelling of the Ca–O system including 3rd generation description of CaO and CaO2

G Deffrennes, N Jakse, CMS Alvares, I Nuta, A Pasturel… - Calphad, 2020 - Elsevier
A complete thermodynamic description of the Ca–O system is proposed including 3rd
generation modelling of crystalline CaO, liquid and amorphous CaO, and crystalline CaO 2 …

[HTML][HTML] The third generation Calphad description of Al–C including revisions of pure Al and C

Z He, B Kaplan, H Mao, M Selleby - Calphad, 2021 - Elsevier
New descriptions of pure Al and liquid C were developed and used to describe the Al–C
system for the third generation of Calphad databases. The stable phases of the elements are …

CALPHAD modeling based on Gibbs energy functions from zero kevin and improved magnetic model: a case study on the Cr–Ni system

L Hao, A Ruban, W Xiong - Calphad, 2021 - Elsevier
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 …

Description of the thermodynamic properties of pure gold in the solid and liquid states from 0 K

AV Khvan, IA Uspenskaya, NM Aristova, Q Chen… - Calphad, 2020 - Elsevier
Thermodynamic data for pure gold were critically assessed using an extended Einstein
model from 0 K for the crystalline FCC_A1 phase and a two state model for the liquid phase …

A new thermodynamic modeling of the Ti–V system including the metastable ω phase

B Hu, S Sridar, L Hao, W Xiong - Intermetallics, 2020 - Elsevier
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 …

Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System

JCP Dos Santos, S Griesemer, N Dupin… - Journal of Phase …, 2024 - Springer
Abstract Proper descriptions of Topologically Closed-Packed (TCP) phases in
thermodynamic databases are essential to adequately design new alloys. Thus, the recently …