2D materials present promising features, but their intrinsic defects, especially at high temperatures, should be considered for usage under harsh conditions. Molecular dynamics simulations were utilized in this work to explore the mechanics of monocrystalline and polycrystalline (PC) silicon–germanium nanosheets (MSiGeNS and PSiGeNS, respectively) as a function of temperature. The mechanical properties of MSiGeNSs decreased by increase of temperature in both armchair and zigzag directions. Likewise, Young's modulus, E and failure stress, σ_f of decreased by increasing grain-size and randomness, while failure strain, ∊_f remained almost unaffected. Ultimately, the study of the mechanical properties of MSiGeNS subjected to different sizes of cracks and notches as a function of temperature showed that increasing crack length, notch radius, and temperature reduced all the properties of defective MSiGeNS. Samples possessing circular notches showed poorer properties compared to those with a crack defect. Moreover, the stress intensity factor of cracked MSiGeNS dropped sharply by temperature rise.

二维材料呈现出有前景的特性，但在恶劣条件下使用时，应考虑其固有缺陷，尤其是在高温下。在这项工作中利用分子动力学模拟来探索作为温度函数的单晶和多晶 (PC) 硅锗纳米片（分别为 MSiGeNS 和 PSiGeNS）的力学。MSiGeNSs 的机械性能随扶手椅和锯齿方向的温度升高而降低。同样，杨氏模量E和失效应力σ _f随晶粒尺寸和随机性的增加而降低，而失效应变∊ _f几乎不受影响。最终，对不同尺寸的裂纹和缺口随温度变化而变化的MSiGeNS力学性能的研究表明，裂纹长度，缺口半径和温度的增加会降低缺陷MSiGeNS的所有特性。与具有裂纹缺陷的样品相比，具有圆形缺口的样品表现出较差的性能。此外，破裂的 MSiGeNS 的应力强度因子随着温度的升高而急剧下降。