CaO-SiO2 assessment using 3rd generation CALPHAD models

Thermodynamic data of belite polymorphs

(2021) K.-D. Grevel et al.   CEMENT AND CONCRETE RESEARCH

Implementation of the extended Einstein and two-state liquid models for thermodynamic description of pure SiO2 at 1 atm

(2020) I. Bajenova et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

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

(2020) Guillaume Deffrennes et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Thermodynamic data for cement clinkering

(2020) Theodore Hanein et al.   CEMENT AND CONCRETE RESEARCH

Statistical approach for automated weighting of datasets: Application to heat capacity data

(2020) S. Zomorodpoosh et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu–Mg

(2019) Brandon Bocklund et al.   MRS Communications

FactSage thermochemical software and databases, 2010–2016

(2016) C.W. Bale et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

MTDATA and the Prediction of Phase Equilibria in Oxide Systems: 30 Years of Industrial Collaboration

(2016) John Gisby et al.   METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

CALPHAD formalism for Portland clinker: thermodynamic models and databases

(2011) M.-N. de Noirfontaine et al.   JOURNAL OF MATERIALS SCIENCE