Calphad-computer Coupling Of Phase Diagrams And Thermochemistry

Calphad-computer Coupling Of Phase Diagrams And Thermochemistry

相图与热化学的计算机耦合

  • 3区 中科院分区
  • Q2 JCR分区

高引用文章

文章名称 引用次数
Phase field simulation of the phase separation in the TiC-ZrC-WC system 14
Phase diagrams and thermochemical modeling of salt lake brine systems. III. Li2SO4 + H2O, Na2SO4 + H2O, K2SO4 + H2O, MgSO4 + H2O and CaSO4 + H2O systems 11
Experimental studies of liquid/spinel/matte/gas equilibria in the Si-Fe-O-Cu-S system at controlled P(SO2) 0.3 and 0.6 atm 8
Partition and non-partition transition of austenite growth from a ferrite and cementite mixture in hypo- and hypereutectoid Fe-C-Mn alloys 8
Applications of CALPHAD modeling and databases in advanced lightweight metallic materials 8
Revised thermodynamic description of the Fe-Cr system based on an improved sublattice model of the sigma phase 6
A thermodynamic description of data for pure Pb from 0 K using the expanded Einstein model for the solid and the two state model for the liquid phase 6
Study of thermal stability of CoSb3 skutterudite by Knudsen effusion mass spectrometry 6
Thermodynamic properties of tin: Part I Experimental investigation, ab-initio modelling of alpha beta-phase and a thermodynamic description for pure metal in solid and liquid state from 0 K 6
An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al 6
Thermodynamic optimization of the binary systems PbO-SiO ZnO-SiO PbO-ZnO, and ternary PbO-ZnO-SiO2 6
Interdiffusion behaviors and mechanical properties of Cu-Zr system 6
Experimental investigation and thermodynamic assessment of the Al-Co-Ni system 6
Thermodynamic re-assessment of binary Cr-Nb system down to 0 K 6
Thermodynamic modeling of Ag - Cu nanoalloy phase diagram 5
Modified embedded-atom method interatomic potentials for pure Zn and Mg-Zn binary system 5
Thermodynamic re-assessment of the Re-X (X = Al, Co, Cr, Ta) binary systems 5
Solution properties and salt-solution equilibria in the H-Li-Na-K-Ca-Mg-Cl-H2O system at 25 degrees C: A new thermodynamic model based on Pitzer's equations 5
Experimental determination and thermodynamic evaluation of low-temperature phase equilibria in the Fe-Ni binary system 5
Thermodynamic calculation of the T-0 curve and metastable phase diagrams of the Ti-M (M = Mo, V, Nb, Cr, Al) binary systems 5
Thermal conductivity of the Mg-Al-Zn alloys: Experimental measurement and CALPHAD modeling 5
Review KEMS 2012 till 2017 5
Update of thermodynamic descriptions of the binary Al-Sn and ternary Mg-Al-Sn systems 5
Comparison of phase equilibria between FactSage predictions and experimental results in titanium oxide-containing system 5
Experiment and modeling of vapor-liquid equilibria for H2O + CH3OH + KCl and H2O + CH3OH + NaBr systems 5
Experimental reinvestigation and thermodynamic description of Bi-Te binary system 4
Interdiffusion and atomic mobility in bcc Ti-rich Ti-Nb-Zr system 4
HitDIC: A free-accessible code for high-throughput determination of interdiffusion coefficients in single solution phase 4
Formation energies of CdSe wurtzoid and diamondoid clusters formed from Cd and Se atomic clusters 4
High-throughput thermodynamic computation and experimental study of solid-state phase transitions in organic multicomponent orientationally disordered phase change materials for thermal energy storage 4
Vaporization behavior of Na2CO3 and K2CO3 4
Thermodynamic description of the Gd2O3-Y2O3-HfO2 and La2O3-Y2O3-HfO2 systems at high temperatures 4
A general model to calculate coherent solid/solid and immiscible liquid/liquid interfacial energies 4
Experimental investigation of phase transformations in the La-Fe and La-Fe-C systems 4
Heat capacity measurement of Zr2Fe and thermodynamic re-assessment of the Fe-Zr system 4
Thermodynamic description of the Fe-Cu-C system 4
Designing the composition and processing route of aluminum alloys using CALPHAD: Case studies 4
A thermodynamic description of the Co-Cr-Fe-Ni-V system for high-entropy alloy design 4
Thermodynamic assessment and experimental investigation of the systems Al-Fe-Mn and Al-Fe-Mn-Ni 4
Thermodynamic description of the Nd-Fe-B ternary system 4
Electronic and structural properties of low-index L1(2)-Al3Zr surfaces by first-principle calculations 4
A CALPHAD assessment of the Al-Mn-C system supported by ab initio calculations 4
CpFit program for approximation of heat capacities and enthalpies by Einstein-Planck functions sum 4
Thermodynamic description of the Ti-Mo-Nb-Ta-Zr system and its implications for phase stability of Ti bio-implant materials 4
Enthalpies of formation of rare-earth borides from first principles. Comparison with experimental values 4
Assessment of atomic mobility for BCC Ti-Mn and Ti-Al-Mn alloys 4
Thermodynamic modeling of the Al-C-Mn system supported by ab initio calculations 3
Development of a multicomponent reaction rate model coupling thermodynamics and kinetics for reaction between high Mn-high Al steel and CaO-SiO2-type molten mold flux 3
The Thermodynamic Database Database 3
Re-evaluation of the thermodynamic equilibria on the zirconia-rich side of the ZrO2-YO1.5 system 3