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中国物理学会期刊

C36团簇自组装的分子动力学研究

CSTR: 32037.14.aps.54.2847

Molecular dynamics study on self-assembly of C36 clusters

CSTR: 32037.14.aps.54.2847
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  • 提出了利用C36团簇在气相条件下自组装制备新纳米团簇的设想,并利用分子动力学方法模 拟了包括真实氦气氛作用的碳团簇生长过程,发现环境气体温度是影响最后所生成的团簇结 构的关键因素:C36团簇在1000?K到2000?K的温度范围内,自组装形成保持C36线径特征的 蚕茧状新纳米团簇;在高于2000?K的温度下,最后形成的团簇趋于球状.

     

    A tentative plan to prepare new clusters by self-assembly of C36 clusters in gas-phase is given in this paper. The growth process of the carbon clusters under a real He atmosphere is simulated by molecular dynamics method. We find that the ambient temperature is the key factor to affect the final structures of the n ew clusters: from 1000 to 2000 K, the new clusters keep a pod shape after self-assembly of C36 clusters; and above 2000 K, the structures of the final clusters change into a ball shape.

     

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