Generally while doing molecular dynamics modeling of nano wires/ nano pillars, researchers are using rectangular shape nano wires. is that shape is obvious for nano wires?. why do they prefer rectangular shape rather than cylindrical shape? can anyone suggest me any article or book which has discussed about the rectangular shape of nano wires/ nano pillars?.
Almost all shaped materials have been synthesized, and in wet chemistry lab, many factors combine to determine the shape of wire. Some of factors, like reduction potential of added material or surfactant etc determines the shape by restricting the growth mechanism on particular faces. You can read specific literature related to type of your material. One is attached. I hope this will help.
http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.430.4191&rep=rep1&type=pdf
Almost all shaped materials have been synthesized, and in wet chemistry lab, many factors combine to determine the shape of wire. Some of factors, like reduction potential of added material or surfactant etc determines the shape by restricting the growth mechanism on particular faces. You can read specific literature related to type of your material. One is attached. I hope this will help.
http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.430.4191&rep=rep1&type=pdf
Dear Xin He, PBC removes the size effects, but i have to pay for surface effects if i use PBC. i only wondered why most of the researchers are using rectangular shape for atomistic simulations like tensile properties. can you suggest me which paper used cylindrical geometry in their atomistic simulation?
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