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针对气相沉积法制备超细铜粉,采用分子动力学方法,GEAM势函数模拟了金属铜在真空(10 Pa)和1 atm条件下的熔化过程.计算了864个Cu原子的均方位移(MSD)、密度、径向分布函数(RDF)和内能随温度的变化.结果表明,金属铜在真空下的熔点在1 357~1 373 K之间.内能随温度的变化表明真空条件更有利于金属的熔化.研究结果可为气相沉积法制备超细Cu粉的实验研究提供理论依据.
For the preparation of ultrafine copper powder by vapor deposition method, molecular dynamics simulation and GEAM potential function were used to simulate the melting process of copper under vacuum (10 Pa) and 1 atm. The mean square displacements (MSDs) of 864 Cu atoms ), Density, radial distribution function (RDF) and internal energy with temperature.The results show that the melting point of copper under vacuum is between 1 357 and 1 373 K. The change of internal energy with temperature shows that the vacuum condition is more Conducive to the metal melting.The results of the research can provide theoretical basis for the experimental study of the preparation of ultrafine Cu powder by vapor deposition method.