Inflence of non-local chemical interactions on the phase formation in nanosystems

Д. В. Надолінський, А. О. Ковальчук

Abstract


The article presents the nature and extent of the influence of nonlocal interactions in combination with segregation on the phase composition in liquid melt of Al-In binary system. The concentration profiles in liquid Al-In nano-alloy with spherical symmetry were calculated using previously developed method of numerical optimization of the thermodynamic potential density. Dimensional diagram obtained for the collapse of the liquid melt of Al-In binary system and studied their behavior depending on the composition of the nanoparticles and the degree of nonlocal interactions. It was established that the effect of segregation makes profitable decay in nanoscale particle than one selection phase with an average concentration, so in nanoscale particle decay occurs even in the area of sustainability. Cahn coefficient effects on the decay, so if it is small, then the decay takes place, but if coefficient is increasing, then input makes weakened. The modes in which nanoscale phase diagrams were displaced and went beyond the spinodal curve in Al-In binary system were found. In this article the phase equilibria in liquid melt of Al-In binary systems was investigated. The results of the study are the following conclusions: 1. for different concentrations values we calculated dimensional phase diagrams for liquid melt of Al-In binary system; 2. established that the possibility of disintegration in nanoscale particle depends on it's size, so for the smaller size, the temperature which allows a particle to decay is reduced; 3. found that the decay region decreases with increasing heterogeneity of deposit (Cahn coefficient), that reduces the temperature of the nanoparticles decay; 4. there is a mode in which the switch qualitative impact of nonlocal interactions influence at decay in small particles. So when the combination of nonlocal interaction and segregation begin to contribute to the decay, as opposed to only segregation influence; 5. collapse in nanoscale particles occurs even in the area of sustainability. So the effect of segregation makes profitable collapse in nanoparticles than one selection phase with an average concentration. Cahn coefficient effects on the decay, so if it is small, then the decay takes place, but if coefficient is increasing, then input makes weakened; 6. for concentrations values that are at the edges of the spinodal curve, the system must ban for certain values of temperature. However, to prevent decay the system should increase the temperature, which means that the phase diagrams for nanosystems will expand and go beyond the macroscopic phase diagram. We have found the following modes in which nanoscale phase diagrams expanded and moved out of Al-In phase diagram.


Keywords


phase diagram; segregation effect; concentration profile; surface tension

References


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