Literature DB >> 12633353

Cluster growing process and a sequence of magic numbers.

Ilia A Solov'yov1, Andrey V Solov'yov, Walter Greiner, Andrey Koshelev, Andrey Shutovich.   

Abstract

We present a new theoretical framework for modeling the cluster growing process. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system, and absorbing its energy at each step, we find cluster growing paths up to the cluster sizes of more than 100 atoms. We demonstrate that in this way all known global minimum structures of the Lennard-Jones (LJ) clusters can be found. Our method provides an efficient tool for the calculation and analysis of atomic cluster structure. With its use we justify the magic number sequence for the clusters of noble gas atoms and compare it with experimental observations.

Entities:  

Year:  2003        PMID: 12633353     DOI: 10.1103/PhysRevLett.90.053401

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Size dependent structural, electronic, and magnetic properties of Sc(N) (N=2-14) clusters investigated by density functional theory.

Authors:  Snehasis Bhunia; Nidhi Vyas; Chandan Sahu; Animesh K Ojha
Journal:  J Mol Model       Date:  2014-10-22       Impact factor: 1.810

2.  Catalytic activity, thermal stability and structural evolution of PdCu single-atom alloy catalysts: the effects of size and morphology.

Authors:  Qing Liu; Xiaoxu Wang; Lu Li; Keke Song; Yanzhou Wang; Ping Qian
Journal:  RSC Adv       Date:  2021-12-20       Impact factor: 3.361

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.