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Based on the recently developed numerical inverse method, high-throughput measurement of the composition-dependent interdiffusivity matrices in the bcc_A2 Fe-Mn-Si alloys at 1173, 1273 and 1373K was performed in the present work. To verify the reliability of the presently determined interdiffusivities, the ternary interdiffusivities evaluated by the traditional Matano-Kirkaldy method at the intersection...
Based on the experimental equilibrium data on spinodal decomposition in the literature together with the newly measured data in the present work, a complete metastable phase diagram for the pseudo-binary c–TiN/c-AlN system was constructed for the first time, from which a self-consistent thermodynamic description was then established by means of CALculation of PHAse Diagram (CALPHAD) method with the...
Solubilities of potassium phosphate (K3PO4), potassium hydrogen phosphate (K2HPO4) and potassium carbonate (K2CO3) in aqueous systems containing the ionic liquid 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) were determined by cloud-point measurements in the temperature of 298.15K at atmospheric pressure. The solubility equilibrium data were correlated and calculated by using Extended Pitzer thermodynamic...
Structural, phonon, and thermodynamic properties of fcc-based metal nitrides MN (M=Ti,Al,Zr,Hf) have been investigated by first-principles calculations within the local density approximation (LDA) and the generalized gradient approximation (GGA). The supercell method for lattice dynamics is utilized to calculate the phonon density of states, and the thermodynamic properties (heat capacity, enthalpy,...
The phase diagrams and thermodynamic properties of the C–RE (RE=La, Ce and Pr) binary systems were assessed by using the CALPHAD method applied to the experimental data in the literature. In the C–RE (RE=La, Pr) systems, RE 2 C 3 and βREC2 (high-temperature form of REC 2 phase) were modeled as non-stoichiometric phases while αREC2 (low-temperature form of REC 2 phase)...
On the basis of the critically reviewed experimental diffusivities available in the literature, the atomic mobilities of Cu, Mn and Ni in fcc Cu–Mn–Ni alloys were assessed as a function of temperature and composition by means of DICTRA (DIffusion Controlled TRAnsformation) software. Comprehensive comparisons between the calculated results and the experimental data show that a good agreement is obtained...
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