摘要
在嵌入原子的方法的框架以内，我们执行了分子动力学的计算在包含 57 和 58 个原子的二铜簇融化期间调查结构的转变。模拟结果揭示他们的不同结构的变化怎么能强烈影响内部精力和光线的分发功能。不同区域的本地结构的模式在温度期间增加，由原子密度侧面决定了，为融化每簇被识别。模拟与不同结构为这二小尺寸簇显示出结构的变化的敏感。
Within the framework of the embedded-atom method, we performed molecular-dynamics calculations to investigate the structural transformation during melting of two copper clus- ters containing 57 and 58 atoms. The simulation results reveal how their different structural changes can strongly influence internal energy and radial distribution functions. The local structural patterns of different regions during the temperature increase, determined by atom density profiles, are identified for the melting of each cluster. The simulations show sensi- tivities of the structural changes for these two small size clusters with different structures.
