Open AccessCONSTRUCTION OF NEURAL NETWORK MODEL FOR STUDYING OF CRYSTAL STRUCTURES PROPERTIES
Author(s) -
Olga Uvarova,
С. И. Уваров
Publication year - 2021
Language(s) - English
Resource type - Conference proceedings
DOI - 10.29003/m2461.mmmsec-2021/31-34
Subject(s) - artificial neural network , mechanism (biology) , energy (signal processing) , computer science , component (thermodynamics) , crystal (programming language) , crystal structure , network structure , biological system , statistical physics , algorithm , materials science , artificial intelligence , physics , theoretical computer science , crystallography , thermodynamics , chemistry , quantum mechanics , biology , programming language
The paper considers a mechanism for constructing a model based on artificial neural network for obtaining the values of the cohesive energy of a system of atoms. Cohesive energy allows for calculation of total energy of system. It is one of the most important characteristics of a structure. A computational experiment is carried out for one-component crystal structures of Si, Ge and C.