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Spatschek, R.

Publications and source records attributed to Spatschek, R..

Phase-field modeling of grain-boundary premelting using obstacle potentials

We investigate the multiorder parameter phase field model of Steinbach and Pezzolla [Physica D 134, 385 (1999)] concerning its ability to describe grain boundary premelting. For a single order parameter situation solid-melt interfaces are always attractive, which allows us to have (unstable) equilibrium solid-melt-solid coexistence above the bulk melting point. The temperature-dependent melt layer thickness and the disjoining potential, which describe the interface interaction, are affected by the choice of the thermal coupling function and the measure to define the amount of the liquid phase. Due to the strictly finite interface thickness the interaction range also is finite. For a multiorder parameter model we find either purely attractive or purely repulsive finite-ranged interactions. Lastly, the premelting transition is then directly linked to the ratio of the grain boundary and solid-melt interfacial energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structural short-range forces between solid-melt interfaces

We predict the structural interaction of crystalline solid-melt interfaces using amplitude equations which are derived from classical density functional theory or phase field crystal modeling. The solid ordering decays exponentially on the scale of the interface thickness at solid-melt interfaces; the overlap of two such profiles leads to a short-range interaction, which is mainly carried by the longest-range density waves, which can facilitate grain boundary premelting. Here, we calculate the tail of these interactions, depending on the relative translation of the two crystals, fully analytically and predict the interaction potential, and compare it to numerical simulations. For grain boundaries the interaction is predicted to decay twice as fast as for two crystals without misorientation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗