Statistical Thermodynamics

Thermodynamic calculation for alloy systems

“…Because nitrogen and hydrogen cannot be used in Eq. [4], the calculation results without N and H show that there are not many differences between S E ϭ 0. In Table I, under the condition of S E ϭ 0, only the calculated value of ln differs from that of 0 ␥ Ce experiments in sign in the data from a total of 23 experiments.…”

“…This method is 95 pct successful in predicting the sign of ⌬H ij . [4] A comparison of the available values of ⌬H ij for 40 binary systems formed by Al, Ti, Hf, Cr, Fe, Co, Ni, Nb, Mo, and W with the calculated values by the Miedema et al method shows that the differences generally do not exceed 8 kJ/g atom, the largest difference being 17 kJ/g atom within a range of ϩ47 to Ϫ62 kJ/g atom for ⌬H ij . [4] In our previous publications, [5][6][7][8] on the basis of Miedema et al's methods and assuming the excess entropy as zero, the thermodynamic models of the activity coefficient of a solute at infinite dilution, expressed in ln , and the first-0 ␥ i and second-order interaction parameters, and , ,…”

Magnetic and transport properties of Ba and Co co-doped SrRuO3

“…In their case, the cation size mismatch between Ru and Zr is 16%, exceeding the up limit of 15% which prefers to achieve complete solid solubility. 15 In our case, since the size mismatch between Ru and Co is below 15%, the chosen doping concentration of 12% should ensure the achievement of samples with single phase rather than a situation of phase coexistence.…”

Discussion of “thermodynamics of liquid Al-Na alloys determined by using CaF2 solid electrolyte”

“…[2][3][4][5] Henry's law claims that the equilibrium partial vapor pressure of component A above a liquid solution A-B is proportional to the mole fraction of A in the infinitely diluted solution of component A in an almost pure B. In other words, the activity coefficient and also the excess partial Gibbs energy of component A have a certain constant value at the infinite dilution, practically not being a function of the A content of the solution below its certain critical value.…”