These results are discussed in connection with various factors such as composition, phase diagram, melting point, interatomic force and e/ a effecting the stability of amorphous alloys. 对这些实验规律,从组份、相图、熔点、原子间的结合作用、e/a等进行了讨论。
Firstly, we must choose the appropriate interatomic potentials for molecular dynamics simulation to determine the strength of interparticle force. And then we can get the phase space trajectory of molecular dynamics simulation to research the macroscopic property of the materials. 进行分子动力学模拟首先要选择原子间势函数,根据原子间势函数来确定粒子之间所受力的大小,从而获得分子动力学模拟的相空间的轨迹,进而研究材料的一些宏观性能。
Analysis of the real-space interatomic force constants confirms that the ionic radius of Sr and Ba are crucial for different A-O interactions. 通过对原子间力常数的分析,可以发现Ba和Sr的离子半径对A-O之间不同性质的相互作用至关重要。