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中国物理学会期刊

立方铂纳米粒子的形状变化与熔化特性的分子动力学研究

CSTR: 32037.14.aps.58.4080

Shape changes and melting characteristics of cubic Pt nanoparticle:A molecular dynamics study

CSTR: 32037.14.aps.58.4080
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  • 采用分子动力学方法结合嵌入原子多体势,对立方铂纳米粒子的热稳定性进行了模拟研究.计算结果表明,立方纳米粒子在升温过程中首先转变为由111和100面所构成的十四面体,然后再转变为球形,最后熔化为液态.通过计算立方铂钠米粒子的统计半径,发现形状转变温度在1250 K左右.尽管形状不同,立方纳米粒子和球形纳米粒子的熔点是相同的.

     

    Molecular dynamics simulation is used to study the thermal stability of cubic platinum nanoparticle. The simulated results show that the cubic nanoparticle first transforms into the truncated cube enclosed by 111 and 100 facets, and then transforms to the spherical one. Finally, it melts into liquid state. The critical temperature of shape transformation is about 1250 K according to the calculation of statistical radius. Cubic and spherical nanoparticles have the same melting point in spite of their different shapes.

     

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