Modeling sublimation by computer simulation: morphology dependent effective energies

TL;DR

This paper uses SOS computer simulations to analyze sublimation processes on surfaces, identifying different regimes based on surface morphology and deriving microscopic parameters from effective energies.

Contribution

It introduces a systematic method to connect effective energies with microscopic parameters in sublimation regimes, applying analytical models to surface morphology analysis.

Findings

Identified three sublimation regimes: layer-by-layer, free step flow, hindered step flow.

Derived microscopic parameters from effective energies for specific regimes.

Applied analytical models to surface sublimation simulations.

Abstract

Solid-On-Solid (SOS) computer simulations are employed to investigate the sublimation of surfaces. We distinguish three sublimation regimes: layer-by-layer sublimation, free step flow and hindered step flow. The sublimation regime is selected by the morphology i.e. the terrace width. To each regime corresponds another effective energy. We propose a systematic way to derive microscopic parameters from effective energies and apply this microscopical analysis to the layer-by-layer and the free step flow regime. We adopt analytical calculations from Pimpinelli and Villain and apply them to our model. Key-Words: Computer simulations; Models of surface kinetics; Evaporation and Sublimation; Growth; Surface Diffusion; Surface structure, morphology, roughness, and topography; Cadmium telluride