中国物理B ›› 2023, Vol. 32 ›› Issue (7): 76103-076103.doi: 10.1088/1674-1056/acc78f
所属专题： SPECIAL TOPIC — Smart design of materials and design of smart materials
Enhanced mechanical and thermal properties of two-dimensional SiC and GeC with temperature and size dependence
Lei Huang(黄磊)1, Kai Ren(任凯)1,†, Huanping Zhang(张焕萍)1, and Huasong Qin(覃华松)2,‡
- 1 School of Mechanical and Electronic Engineering, Nanjing Forestry University, Nanjing 210037, China;
2 Laboratory for Multiscale Mechanics and Medical Science, SV LAB, School of Aerospace, Xi'an Jiaotong University, Xi'an 710049, China
Enhanced mechanical and thermal properties of two-dimensional SiC and GeC with temperature and size dependence
Lei Huang(黄磊)1, Kai Ren(任凯)1,†, Huanping Zhang(张焕萍)1, and Huasong Qin(覃华松)2,‡
- 1 School of Mechanical and Electronic Engineering, Nanjing Forestry University, Nanjing 210037, China;
2 Laboratory for Multiscale Mechanics and Medical Science, SV LAB, School of Aerospace, Xi'an Jiaotong University, Xi'an 710049, China
摘要： Two-dimensional materials with novel mechanical and thermal properties are available for sensors, photodetectors, thermoelectric, crystal diode and flexible nanodevices. In this investigation, the mechanical and thermal properties of pristine SiC and GeC are explored by molecular dynamics simulations. First, the fracture strength and fracture strain behaviors are addressed in the zigzag and armchair directions at 300 K. The excellent toughness of SiC and GeC is demonstrated by the maximal fracture strain of 0.43 and 0.47 in the zigzag direction, respectively. The temperature-tunable tensile strength of SiC and GeC is also investigated. Then, using non-equilibrium molecular dynamics (NEMD) calculations, the thermal performances of SiC and GeC are explored. In particular, the thermal conductivity of SiC and GeC shows a pronounced size dependence and reaches up to 85.67 W·m-1·K-1 and 34.37 W·m-1·K-1, respectively. The goal of our work is to provide a theoretical framework that can be used in the near future. This will enable us to design an efficient thermal management scheme for two-dimensional materials in electronics and optoelectronics.
中图分类号: (Structure of nanoscale materials)
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