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On the interaction of vacancies in a two-dimensional rare-gas crystal
Authors:L. Modesto  D.L.S. Júnior  J.N. Teixeira Rabelo  L. Cândido
Affiliation:1. Institute of Experimental Physics, SAS, Watsonova 47, 040 01 Ko?ice, Slovakia;2. Department of Theoretical Physics and Astrophysics, Faculty of Science, P.J. ?afárik University, Park Angelinum 9, 040 01 Ko?ice, Slovakia;1. Empa, Swiss Federal Laboratories for Materials Science and Technology, Laboratory 505 (Hydrogen & Energy), Überlandstrasse 129, CH-8600 Dübendorf, Switzerland;2. Chemical and Engineering Materials Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, PO Box 2008, MS 6473 Oak Ridge, USA;3. Istituto dei Sistemi Complessi – sezione di Firenze, Consiglio Nazionale delle Ricerche, via Madonna del piano 10, 50019 Sesto Fiorentino (FI), Italia;1. The College of Chemistry and Molecular Engineering, The Key Laboratory of Chemical Biology and Organic Chemistry of Henan Province, Zhengzhou University, Zhengzhou, 450052, PR China;2. Department of Chemistry, The College of Chemistry and Chemical Engineering, The Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiamen, 361005, PR China;1. Institute for Study of the Earth’s Interior, Okayama University, Misasa, Tottori-ken 682-0193, Japan;2. Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198, Japan
Abstract:We study the interaction between vacancies in a two-dimensional van der Waals crystal by molecular dynamics simulation. We find that the vacancy–vacancy interaction is attractive at short distances, but its binding energy is not enough to keep the pair bounded at the melting region where the vacancies are more likely to be created.
Keywords:
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