Influence of surface energy anisotropy on nucleation and crystallographic texture of polycrystalline deposits

Published: 25 September 2023| Version 1 | DOI: 10.17632/bsdff8shbz.1
Martin Minar


This dataset provides MATLAB code which can be used to reproduce results in a namesake paper submitted to Computational Materials Science in September 2023. The code aimed to achieve two scientific goals: 1) provide automated solver to Winterbottom construction of a particle with anisotropic interface energy on a plane to eventually construct shape factor-orientation maps 2) simulation of growing polycrystalline film using 2D Monte Carlo algorithm to demonstrate the impact of anisotropy in interface energy on the nucleation and texture evolution The first usage of the code is aided by the files explore_shape_factor.m and explore_Monte_Carlo.m, which provide description of the standard input to the individual MATLAB functions, examples of their usage and and also visualization of the outputs. Importantly, there is a MAT file containing 42 shape factor-orientation maps for various orders of symetry (3, 4 and 6), strengths of anisotropy and different resolutions. It should be emphasized that the results apply specifically to the anisotropy function [1+\delta*cos(n\*theta)]. However, on this example it was qualitatively demonstrated that the nucleation with anisotropy in interface energy may significantly affect the course of texture evolution compared to the case of a) no nucleation or b) nucleation with isotropic interface energy.


Steps to reproduce

Follow the examples in in explore_shape_factor.m and explore_Monte_Carlo.m


Associatie KU Leuven


Monte Carlo Method, Anisotropic Material, Particle Nucleation, Film Deposition, Crystal Growth from Solution


European Research Council