Calculation of the cohesive energy of metallic nanoparticles by the Lennard-Jone

2020-01-19 02:02:29

energy potential nanoparticles cohesive Jones

责任者: Qi, W.H.;Wang, M.P.;Hu, W.Y. 单位: Sch. of Mater. Sci. & Eng., Central South Univ., Changsha, China 来源出处: Materials Letters(Mater. Lett. (Netherlands)),2004/04/,58(11):1745-9 摘要: The cohesive energy of metallic nanoparticles has been studied by Lennard-Jones potential. It is found that the Lennard-Jones potential can be used to calculate the cohesive energy of metallic nanoparticles by considering the size-dependent potential parameters. It is predicted that the cohesive energy of small particles decreases with decreasing the particle size, which is consistent with the experimental values of Mo and W nanoparticles 关键词: binding energy;Lennard-Jones potential;molybdenum;nanoparticles;particle size;tungsten;cohesive energy;metallic nanoparticles;Lennard-Jones potential;particle size;size-dependent potential parameters;Mo;W