submitted by AbraJal 3 months ago - Topic: Materials
In this paper, we investigate the effects of Re additions on the microstructure and mechanical properties of a ternary alloy with the composition Mo-12.5Si-8.5B (at.%). This alloy has a three-phase microstructure consisting of Mo solid-solution (MoSS), Mo3Si, and Mo5SiB2 and our results show that...
submitted by lilybush 3 years and 2 months ago - Topic: Materials
The thermodynamic properties and phase diagram of the RbBr-TbBr3 system were analyzed by means of the CALPHAD method in this work. Thermodynamic models were defined in order to describe the Gibbs energies of the individual phases, and the model parameters were optimized from the experimental ther...
submitted by lilybush 3 years and 2 months ago - Topic: Materials
The thermodynamic properties and phase relations of the Co-Ga binary system are remodeled based on the CALPHAD approach. In this work, CoGa(I2) is considered to be non-stoichiometric and CoGa3 to be stoichiometric. The I2 phase is thermodynamically described by a two-sublattice model (Co,Ga).5(Co...
submitted by hcannenghom 3 years and 1 month ago - Topic: Materials
A thermodynamic assessment of the Cu-Cd system has been carried out by CALPHAD technique. The liquid phase, FCC_A1(Cu) and HCP_A3(Cd) terminal phases are described by a simple substitutional model, their excess Gibbs energy is formulated with the Redlich-Kister expression. The system contains fou...
submitted by lilybush 2 years and 8 months ago - Topic: Materials
The properties of the liquid phase in the Cd-Te system are fit using thermodynamic properties of CdTe(c) recently optimized by the author. These include a high temperature heat capacity significantly lower than commonly used such that the enthalpy of formation of CdTe(c) at its melting point is a...
submitted by lilybush 2 years and 8 months ago - Topic: Materials
Thermodynamic properties and the phase equilibria of the Ni-Pb binary system were assessed by the CALPHAD (CALculation of PHase Diagrams) method using the available literature data. The phase diagram and the excess Gibbs energy values of the solution phases, molten alloy and the fcc solid solutio...
submitted by jbierzo 2 years and 8 months ago - Topic: Materials
The thermodynamic properties of the Re-Y binary system were modeled by complimenting the CALculation of PHAse Diagram (CALPHAD) method with first-principles calculations. Hcp and bcc solid solution phases were predicted from first-principles calculations to have positive enthalpies of mixing, ind...
submitted by HuntPet 2 years and 7 months ago - Topic: Materials
The As-Te-I system has been investigated primarily by means of DTA, XRD analyses and EMF measurements with an arsenic electrode. The T-x diagram of the binary As-I system was accurately redefined and its phase diagram was constructed. A projection of the liquidus surface, an isothermal section at...
submitted by gogolito35 2 years and 6 months ago - Topic: Materials
In this work the assessment of the Cr–Re system, using a combined ab initio and CALPHAD (CALculation of Phase Diagrams) approach, is presented. To model the sigma phase, a five-sublattice combined CEF model was applied and the present description reproduces reasonably well the previously publis...
submitted by shohen76 2 years and 6 months ago - Topic: Materials
Magnetic phase diagrams of body-centered cubic and face-centered cubic Fe–Ni alloys were constructed using available experimental data and ab initio calculations. The results show that significant improvements in the “standard” diagrams (handbooks and CALPHAD databases) are required. The pr...
