Tensile mechanical characteristics of ultra-thin carbon sulfur nanothreads in orientational order

Carbon10.90
Volume: 184, Pages: 146 - 155
Published: Oct 1, 2021
Abstract
Carbon sulfur nanothreads (CSNTs) mainly composed of two chiral long alkane chains have been recently fabricated from thiophene by a pressure-induced phase transition in low-temperature, but their mechanical properties remain unexplored. Here, the critical roles of morphology and temperature on the tensile characteristics of CSNTs are for the first time examined using molecular dynamic simulations with a first-principles-based ReaxFF forcefield....
Paper Details
Title
Tensile mechanical characteristics of ultra-thin carbon sulfur nanothreads in orientational order
Published Date
Oct 1, 2021
Journal
Volume
184
Pages
146 - 155
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