CAJ | 학술논문

利用分子动力学方法模拟了Ag纳米线的熔化和过热,模拟中采用了一种镶嵌原子势模型.结果表明:自由Ag纳米线的熔点比大块Ag的平衡熔点低,而被高熔点的Ni包覆的Ag纳米线的熔点比Ag的平衡熔点高,即有过热存在.这说明纳米线也可以过热,分析其原因是由于Ag/Ni半共格界面的存在抑制了熔化的形核和生长.
이용분자동역학방법모의료Ag납미선적용화화과열,모의중채용료일충양감원자세모형.결과표명:자유Ag납미선적용점비대괴Ag적평형용점저,이피고용점적Ni포복적Ag납미선적용점비Ag적평형용점고,즉유과열존재.저설명납미선야가이과열,분석기원인시유우Ag/Ni반공격계면적존재억제료용화적형핵화생장.
Superheating of metal particles and thin films has been experimentally achieved in a number of metal systems.In this paper,the superheating of Ag nanowires was studied by using a molecular dynamics (MD) method at atomic level.The simulation results showed a superheating about 193K in the Ag nanowires which is coated by Ni.and the epitaxial Ag/Ni interface formed in such systems.These computer experiments provide a possibility of elevaing the instability temperature against melting for low-dimensional materials of increasingly microelectronic technological interests.