scholarly journals CONSTRUCTION OF NEURAL NETWORK MODEL FOR STUDYING OF CRYSTAL STRUCTURES PROPERTIES

2021 ◽  
Author(s):  
Olga Uvarova ◽  
Sergey Uvarov
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Total Energy ◽  
Crystal Structures ◽  
Network Model ◽  
Neural Network Model ◽  
Cohesive Energy ◽  
Computational Experiment ◽  
Model Based ◽  
Artificial Neural

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.

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