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8569636.hi木虫 (正式写手)
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[求助]
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我想表达这样一个意思： 至于纳米粒子的自由能，它能表示为粒子的体，面，边和角自由能之和。然而，Barnard 等证明随着粒子尺寸的增加，边和角自由能的贡献迅速减小。进一步，最近计算的金纳米粒子相图显示纳米粒子在熔化前先经历了表面粗化过程。因此，为了研究纳米粒子的熔化相变，我们把纳米粒子的自由能表示为中心体自由能和表面自由能之和是合理的。实际上，这个方案已经为许多研究者采用。例如，Safaei 计算了锡纳米粒子的熔点，Lu等研究了银纳米粒子的热力学性质。 As for the free energy of nanoparticle, it may be expressed as a sum of contributions from the particle bulk, surfaces, edges, and corners. However, Barnard et al. showed that edge and corner contributions to the total energy rapidly diminish with increase in nanocrystal size. Further, recently calculated phase diagrams for gold nanoparticle show that the melting of nanoparticle is preceded by surface roughening of nanoparticle. Therefore, in order to research the melting transition of small clusters, that we represent the free energies of nanostructural materials as the sum of central bulk and surface free energy is reasonable. Actually, this approach has been adopted by many researchers. For example, Safaei had calculated melting point of Sn nanoparticles, and Lu et al. had researched the thermodynamics properties of silver nanoparticles base on the approach. |
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zuodg
铁杆木虫 (正式写手)
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【答案】应助回帖
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sltmac(金币+1): 3Q 2011-06-11 16:28:21
8569636.hi(金币+10, 翻译EPI+1): 谢谢！ 2011-06-11 23:15:24
sltmac(金币+1): 3Q 2011-06-11 16:28:21
8569636.hi(金币+10, 翻译EPI+1): 谢谢！ 2011-06-11 23:15:24
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As for the free energy of nanoparticle, it may be defined as a sum of contributions from the particle bulk, surfaces, edges, and corners. However, with increase in nanocrystal size Barnard et al. showed that edge and corner contributions to the total energy rapidly diminish. Further, it is shown from recent calculated phase diagrams that before melting gold nanoparticle first undergoes surface roughening. Therefore, in order to investigate the melting transition of nanoparticles, it is reasonable to represent the free energies of nanoparticles as the sum of central bulk and surface free energy. As a matter of fact, this approach has been adopted by many researchers. For example, Safaei had calculated melting point of Sn nanoparticles, and Lu et al. had researched the thermodynamic properties of silver nanoparticles. 互相学习哈 |
2楼2011-06-11 14:23:26