Hysteresis of two-dimensional penta-graphene thin films under uniaxial deformation
Vol. 132 No. 1C (2023), Original Article
Vol. 132 No. 1C (2023)

Hysteresis of two-dimensional penta-graphene thin films under uniaxial deformation

Original Article
https://doi.org/10.26459/hueunijns.v132i1C.6708
Published 2023-09-30
Minh Triet Dang*
School of Education, Can Tho University, 3/2 St., Ninh Kieu District, Can Tho, Viet Nam
Nguyen Thi Bao Trang
FPT University, 600 Nguyen Van Cu St., Ninh Kieu District, Can Tho, Viet Nam
Trinh Xuan Hoang
Institute of Physics-Vietnam Academy of Science and Technology, 10 Dao Tan, Ba Dinh District, Ha Noi, Viet Nam
PDF (Vietnamese)

Keywords

Biến dạng đơn trục (nén/dãn)
động lực học phân tử (MD)
penta-graphene
hiện tượng trễ (hysteresis) trong biến dạng Uniaxial deformation (compression/extension)
molecular dynamic simulations
penta-graphene
hysteresis

How to Cite

1.
Triết Đặng M, Nguyễn TBT, Trịnh XH. Hysteresis of two-dimensional penta-graphene thin films under uniaxial deformation. hueuni-jns [Internet]. 2023Sep.30 [cited 2024Jun.29];132(1C):39-4. Available from: https://jos.hueuni.edu.vn/index.php/hujos-ns/article/view/6708
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Abstract

We use molecular dynamic simulations to investigate the hysteresis of two-dimensional penta-graphene under uniaxial deformation. The results show that a penta-graphene thin film with 10086 carbon atoms can withstand ultra-high strength with a maximum applied stress of ~170 GPa without failure. Under a high shear rate (0.1 Å/ps) and in the elastic regime, the penta-graphene thin film exhibits a continuous phase transformation, in which the thermodynamic parameters proportionally change with applied strain. However, at the lowest shear rate of 2 × 10–6 Å/ps, a first-order-like phase transition is observed at ~7% strain. The mean coordination number versus strain curve exhibits a sharp discontinuity of stress. Also, when reversing the shear in the linear elastic regime, the hysteresis effects become prominent at this very low strain rate. These results extend our understanding of the first-order-like structural-phase transition of two-dimensional penta-graphene thin films.

https://doi.org/10.26459/hueunijns.v132i1C.6708
PDF (Vietnamese)

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