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中国物理学会期刊

银纳米杆高温熔化断裂弛豫性能的原子级模拟研究

CSTR: 32037.14.aps.59.6377

An atomistic simulation on melting and breaking relaxation characteristics of Ag nanorods at high temperature

CSTR: 32037.14.aps.59.6377
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  • 采用分子动力学模拟方法,研究了不同长度银纳米杆在不同温度弛豫过程中的结构演变过程.结果表明:银纳米杆存在一与杆长相关的临界熔断温度,该临界熔断温度随杆长增加而显著降低.当温度大于熔点而小于临界熔断温度时,体系形成一个高度无序的球形团簇,而温度大于临界熔断温度时,体系则熔断成两个球形团簇.并给出了银纳米杆的产生该熔断现象的机理.

     

    Based on the molecular dynamics simulation method, the evolution of Ag nanorods structure during the Ag nanorods relaxation process at various temperatures and lengths are intensively studied. The results show that there is a critical breaking temperature, which is decreasing with the increasing Ag naorods length. The Ag nanorod is melted to a highly disordered spherical cluster when the temperature is between the melting point and the critical breaking temperature. However, the Ag nanorod is melted to two spherical clusters when the temperature is above the critical breaking temperature.The physical mechanics of the structure evolution processe at various temperatures are presented.

     

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