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Molecular dynamics simulation of pressure-driven water flow in silicon-carbide nanotubes

机译:碳化硅纳米管中压力驱动水流的分子动力学模拟

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Many properties of silicon carbide (SiC) nanotubes, such as their high mechanical strength and resistance to corrosive environments, are superior to those of their carboneous counterparts, namely, carbon nanotubes (CNTs) and, therefore, SiC nanotubes can be a viable alternative to CNTs in a variety of applications. We employ molecular dynamics simulations to examine flow of water in SiC nanotubes and to study the differences and similarities with the same phenomenon in the CNTs. The simulations indicate that SiC nanotubes always provide larger flow enhancements than those reported for the CNTs. Moreover, a given flow enhancement in SiC nanotubes requires an applied pressure gradient that is at least an order of magnitude smaller than the corresponding value in a CNT of the same size.
机译:碳化硅(SiC)纳米管的许多性能,例如高机械强度和耐腐蚀性环境,均优于碳纳米管(CNT)的碳纳米管,因此,SiC纳米管可以替代碳纳米管。 CNT在各种应用中。我们采用分子动力学模拟来检查SiC纳米管中的水流,并研究CNT中具有相同现象的异同。模拟表明,SiC纳米管总是提供比CNT更大的流动增强效果。此外,SiC纳米管中给定的流动增强要求所施加的压力梯度至少比相同尺寸的CNT中的对应值小一个数量级。

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