Theoretical assessment for the mixing properties of AlMg liquid alloys at 1073K

The alloying behavior of AlMg alloy in the liquid form at 1073 K has been theoretically investigated in the framework of four-parameter model which is based on Maclaurin series. The analytical expressions for thermodynamic functions such as excess free mixing energy, free mixing energy, enthalpy of mixing and entropy of mixing and microscopic functions such as concentration fluctuations at the long wavelength limit and Warren-Cowley chemical short range order parameter have been derived. These expressions have been used to compute the excess Gibbs free energy of mixing, Gibbs free energy of mixing, activity, enthalpy(heat) of mixing, excess entropy of mixing, entropy of mixing, concentration fluctuations in long wavelength limit and Warren-Cowley short range order parameters of AlMg liquid alloys at 1073 K. The investigation shows the excellent concurrence between the experimental and theoretical measurements of the mixing properties of AlMg liquid alloys at 1073 K. Interaction parameters of energy depends on temperature.

Temperature-Dependent Configurational Entropy Calculations for Refractory High-Entropy Alloys

The cluster expansion formalism for alloys is used to construct surrogate models for three refractory high-entropy alloys (NbTiVZr, HfNbTaTiZr, and AlHfNbTaTiZr). These cluster expansion models are then used along with Monte Carlo methods and thermodynamic integration to calculate the configurational entropy of these refractory high-entropy alloys as a function of temperature. Many solid solution alloy design guidelines are based on the ideal entropy of mixing, which increases monotonically with $$N$$ N , the number of elements in the alloy. However, our results show that at low temperatures, the configurational entropy of these materials is largely independent of $$N$$ N , and the assumption described above only holds in the high-temperature limit. This suggests that alloy design guidelines based on the ideal entropy of mixing require further examination.

Synthesis and Evaluation of Thermodynamic Solubility of Triazolo Quinolone Class Derivatives in Various Solvents at 298.15-328.15 K

The solubility of triazolo quinolone class derivatives in methanol, ethanol, n-propanol, n-butanol and ethyl acetate was measured using a gravimetrical method at temperature ranging from 298.15 K to 328.15 K. The results of these measurements were correlated with semi empirical equations. Some thermodynamic parameters such as dissolution enthalpy, Gibb’s free energy and entropy of mixing have also been calculated.

First and second laws of thermodynamics: relationship, “inconsistency”, hidden effects

The relationship of the first and second laws of thermodynamics based on their energy nature is considered. It is noted that the processes described by the second law of thermodynamics often take place hidden within the system, which makes it difficult to detect them. Nevertheless, even with ideal mixing, an increase in the internal energy of the system occurs, numerically equal to an increase in free energy. The largest contribution to the change in the value of free energy is made by the entropy of mixing, which has energy significance. The entropy of mixing can do the job, which is confirmed in particular by osmotic processes.

An efficient way of increasing the total entropy of mixing in high-entropy-alloy compounds: a case of NaCl-type (Ag,In,Pb,Bi)Te1−xSex (x = 0.0, 0.25, 0.5) superconductors

To investigate the multi-site alloying effect on the entropy of mixing (ΔSmix) for the examined samples, the total ΔSmix for two crystallographic sites was calculated.

Rapid isotopic exchange in nanoparticles

Rapid solution-state exchange dynamics in nanoscale pieces of matter is revealed, taking isotopically pure atomically precise clusters as examples. As two isotopically pure silver clusters made of107Ag and109Ag are mixed, an isotopically mixed cluster of the same entity results, similar to the formation of HDO, from H2O and D2O. This spontaneous process is driven by the entropy of mixing and involves events at multiple time scales.