碳炔化合物力学性质的从头算研究
Mechanical properties of carbynes investigated by ab initio total-energy calculations
摘要：
由于sp碳链（碳炔）是相对刚性的分子物体，我们可以利用它们作为纳米力学的构建元素吗？为了回答这个问题，我们调查他们显着的力学性能从头算总能量模拟。特别是，我们评估他们的线性响应小的纵向和弯曲变形和纵向压缩和伸长率的故障极限。
英文摘要：
As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab-initio total-energy simulations. In particular, we evaluate their linear response to small longitudinal and bending deformations and their failure limits for longitudinal compression and elongation.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
