- Tytuł:
- Quantum-inspired evolutionary optimization of SLMoS2 two-phase structures
- Autorzy:
-
Kuś, Wacław
Mrozek, Adam - Powiązania:
- https://bibliotekanauki.pl/articles/29520072.pdf
- Data publikacji:
- 2022
- Wydawca:
- Akademia Górniczo-Hutnicza im. Stanisława Staszica w Krakowie. Wydawnictwo AGH
- Tematy:
-
quantum-inspired evolutionary algorithm
optimization
nanostructure
two-phase SLMoS2
molecular dynamics
molecular statics
atomic potential
ReaxFF
material properties - Opis:
- The paper focuses on applying a Quantum Inspired Evolutionary Algorithm to achieve the optimization of 2D material containing two phases, 2H and 1T, of Molybdenum Disulphide (MoS2). The goal of the optimization is to obtain a nanostructure with tailored mechanical properties. The design variables describe the shape of inclusion made from phase 1T in the 2H unit cell. The modification of the size of the inclusions leads to changes in the mechanical properties. The problem is solved with the use of computed mechanical properties on the basis of the Molecular Statics approach with ReaxFF potentials.
- Źródło:
-
Computer Methods in Materials Science; 2022, 22, 2; 67-78
2720-4081
2720-3948 - Pojawia się w:
- Computer Methods in Materials Science
- Dostawca treści:
- Biblioteka Nauki
Artykuł