tailieunhanh - Mô phỏng kéo màng vật liệu hai chiều hai nguyên tử cấu trúc nếp gấp

Bài viết Mô phỏng kéo màng vật liệu hai chiều hai nguyên tử cấu trúc nếp gấp nghiên cứu cơ tính của 6 vật liệu hai chiều cấu trúc nếp gấp bao gồm: p-SiS, p-SiSe, p-GeS, p-GeSe, p-CSe, và p-CTe. Phương pháp phần tử hữu hạn nguyên tử với hàm thế Stillinger-Webber được sử dụng để mô phỏng tương tác giữa các nguyên tử trong quá trình kéo các màng của 6 vật liệu nêu trên. | Tạp chí Khoa học Giao thông vận tải Tập 73 Số 5 06 2022 514-526 Transport and Communications Science Journal SIMULATION OF TENSILE TESTS OF TWO-DIMENSIONAL PUCKERED HEXAGONAL BINARY SHEETS Minh Quy Le1 Huu Tu Nguyen2 Do Thi Kim Lien3 Van Trang Nguyen4 1 Department of Mechatronics School of Mechanical Engineering Hanoi University of Science and Technology Hanoi Viet Nam 2 Faculty of Fundamental Science Military Academy of Logistics Hanoi Viet Nam 3 Faculty of Mechanical and Civil Engineering Vietnam-Hungary Industrial University Ha Noi Viet Nam 4 Faculty of Mechanical Engineering Thai Nguyen University of Technology Thai Nguyen Vietnam ARTICLE INFO TYPE Research Article Received 28 01 2022 Revised 04 04 2022 Accepted 08 06 2022 Published online 15 06 2022 https Corresponding author Email nguyenhuutu160382@ Abstract. Two-dimensional materials have many special properties such as good thermal conductivity good electrical conductivity. They have potential applications in many fields such as medicine energy electronics etc. Simple tensile tests were simulated by atomic-scale finite element method with Stillinger-Weber potentials. Among many two-dimensional binary materials 6 two-dimensional puckered p- hexagonal materials are here investigated namely p-SiS p-SiSe p-GeS p-GeSe p-CSe and p-CTe to study their mechanical properties. Results show that two-dimensional Young s modulus Poisson s ratio two-dimensional tensile fracture stress and tensile fracture strain appear in the range from through N m from to from to N m from 20 to 43 respectively. These materials exhibit high anisotropy with a large difference in the mechanical properties along the armchair and zigzag directions. Young s modulus in the zigzag direction is about three times larger than that in the armchair one. Results are useful for the design and application of these materials. Keywords two-dimensional materials mechanical properties .