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344081554木蟲 (著名寫手)
我是小蟲蟲
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[求助]
求助:用MS如何構(gòu)建具有特定孔徑大小的單壁碳納米管?
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| 本帖子包含3個(gè)問題:1、我已經(jīng)知道用MS構(gòu)建單壁碳納米管時(shí)N和M的值會(huì)影響碳納米管的孔徑和尺寸,問題是如何構(gòu)建具有特定孔徑值的單壁碳納米管,比如需要的單壁碳納米管孔徑為1nm,N和M如何設(shè)置?2、生物炭在建模時(shí)與單壁碳納米管有什么區(qū)別?3、如何利用MS或者碳納米管構(gòu)建工具構(gòu)建生物炭模型? |
木蟲 (著名寫手)
我是小蟲蟲
木蟲 (正式寫手)
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try Nanotube Modeler https://www.jcrystal.com/products/wincnt/ Avogadro 1.1 includes a new nanotube builder, based on the well-known TubeGen code and website from the Doren group at U. Delaware. (https://turin.nss.udel.edu/research/tubegenonline.html) |
木蟲 (著名寫手)
我是小蟲蟲
專家顧問 (職業(yè)作家)
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專家經(jīng)驗(yàn): +83 |
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From n and m one can also compute the circumference c, which is the length of the vector w, which turns out to be: {\displaystyle c=\left|{\boldsymbol {u}}\right|{\sqrt {(n^{2}+nm+m^{2})}}\approx 246{\sqrt {((n+m)^{2}-nm)}}} in picometres. The diameter {\displaystyle d} of the tube is then {\displaystyle c/\pi }, that is {\displaystyle d\approx 78.3{\sqrt {((n+m)^{2}-nm)}}} also in picometres. (These formulas are only approximate, especially for small n and m where the bonds are strained; and they do not take into account the thickness of the wall.) 出自https://en.wikipedia.org/wiki/Carbon_nanotube 哎,都2024年了,小木蟲還不能回復(fù)圖片和公式 |
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