Funct. Mater. 2026; 32 (1): 98-105.

doi:https://doi.org/10.15407/fm33.01.98

Temperature dependent thermo-mechanical properties of 3C and 6H silicon carbide from atomistic simulations on large-scale systems with DFT-derived machine learning interatomic potential

Oleksandr Parfionov, Oleksandr Vasiliev

Frantsevich Institute for Problems of Materials Science NASU, O. Pritsaka street 3, Kyiv, 03142, Ukraine

Abstract: 
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Keywords: 
Elastic Constants, Thermo-mechanical Properties, DFT, Silicone Carbide, Machine Learning Interatomic Potentials

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References: 

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