Papers by Keyword: Surface Phase Transition

Abstract: Bulk, surface and interface thermodynamics of immiscible liquid alloys are considered within a unified theoretical framework. For bulk thermodynamic functions the exponential and the combined linear-exponential equations are discussed, obeying the 4th law of thermodynamics. Surface phase transition is discussed in details. For surface and interface thermodynamics the monolayer Butler equation is compared to the multilayer model. During further assessment of bulk thermodynamic data of immiscible liquid alloys their experimentally measured surface tension and interfacial energy should be also taken into account, coupled with the models presented here.

Abstract: Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a submonolayer lattice-gas, which mimics a nanoporous environment. In this model, one-dimensional chains of atoms were arranged in a triangular cross-sectional structure. Two kinds of lateral interaction energies have been considered: (1) wL, interaction energy between nearest-neighbor particles adsorbed along a single channel and (2) wT, interaction energy between particles adsorbed across nearest-neighbor channels. We focus on the case of repulsive transverse interactions (wT > 0), where a rich variety of structural orderings are observed in the adlayer, depending on the value of the parameters kBT/wT (kB being the Boltzmann constant) and wL /wT. For wL /wT = 0, successive planes are uncorrelated, the system is equivalent to the triangular lattice, and the well-known [ ] ordered phase is found at low temperatures and a coverage, , of 1/3 [2/3]. In the more general case (wL /wT  0), the competition between interactions along a single channel and the transverse coupling between sites in neighboring channels leads to a three-dimensional adsorbed layer. Consequently, the and structures “propagate” along the channels and new ordered phases appear in the adlayer. The influence of each ordered phase on adsorption isotherms, differential heat of adsorption and configurational entropy of the adlayer has been analyzed and discussed in the context of the lattice-gas theory. Finally, the Monte Carlo technique was combined with the recently reported free energy minimization criterion approach (FEMCA) [F. Romá et al.: Phys. Rev. B Vol. 68 (2003), art. no. 205407] to predict the critical temperatures of the surface-phase transformations occurring in the adsorbate. The excellent qualitative agreement between simulated data and FEMCA results allows us to interpret the physical meaning of the mechanisms underlying the observed transitions.

Abstract: In the present paper the wettability of a liquid metal by another liquid metal is studied theoretically, based on a recent model on interfacial energies in metallic systems. It appears that in all practical cases the liquid metal with a lower surface tension will perfectly wet (with a zero contact angle) the liquid metal with a higher surface tension practically at any temperature, and therefore will encapsulate it. As a result, the first order surface phase transition will start in monotectic metallic systems at 0 K. The phenomenon of the surface phase transition is considered in some details, based on a recent paper.