CUDA code to generate computational models and predict mechanical properties for metallic surface nanocoatings

Abstract

The article presents an open-access code, written in CUDA® and C++ programming language, applicable for generating computational models of nanostructured surface coatings deposited by electrodeposition. The code uses the Schrödinger equation, energy potentials, and electrochemistry as a theoretical basis to determine the deposition and electrodeposition energies, allowing the prediction of the formation and growth of these coatings. Likewise, the parameter variation enabled within the code provides for determining the main electrodeposition parameters (voltage, current, concentration, and residence time) for experimental depositions. The code can be easily implemented for any metallic coating-substrate arrangement where the filler material is nanomaterials.