Impurity effects on the melting of Ni clusters - Physics > Atomic and Molecular ClustersReportar como inadecuado




Impurity effects on the melting of Ni clusters - Physics > Atomic and Molecular Clusters - Descarga este documento en PDF. Documentación en PDF para descargar gratis. Disponible también para leer online.

Abstract: We demonstrate that the addition of a single carbon impurity leads tosignificant changes in the thermodynamic properties of Ni clusters consistingof more than a hundred atoms. The magnitude of the change induced is dependentupon the parameters of the Ni-C interaction. Hence, thermodynamic properties ofNi clusters can be effectively tuned by the addition of an impurity of aparticular type. We also show that the presence of a carbon impurityconsiderably changes the mobility and diffusion of atoms in the Ni cluster attemperatures close to its melting point. The calculated diffusion coefficientsof the carbon impurity in the Ni cluster can be used for a reliable estimate ofthe growth rate of carbon nanotubes.



Autor: Andrey Lyalin, Adilah Hussien, Andrey V. Solov'yov, Walter Greiner

Fuente: https://arxiv.org/







Documentos relacionados