naa a22 4500 510814964 CHVBK 20180411083502.0 cr unu---uuuuu 180411e20131201xx s 000 0 eng 10.1134/S0031918X13120028 doi (NATIONALLICENCE)springer-10.1134/S0031918X13120028 Thermal stability of structure in small gold clusters [Elektronische Daten] [Zh. Goloven'ko, Yu. Gafner, S. Gafner, L. Redel'] Limits of thermal stability of the original fcc phase in gold clusters up to 3.5 nm in diameter have been studied. The simulation carried out by the molecular-dynamics method using a modified TB-SMA tight-binding potential has shown that in small Au clusters under the effect of the temperature factor there occurs a transition from the original fcc phase to other structural modifications, including those with a pentagonal symmetry. As the size of gold nanoparticles increases, the polytypic-transition temperature shifts toward the melting temperature of the cluster. The results obtained are compared with the data for copper and nickel nanoparticles with similar sizes. It has been shown that, in the case of nickel and copper clusters, it is the transition from the fcc phase into structures with a pentagonal symmetry, which are not found in the bulk state, that is the governing factor; the gold clusters demonstrate a much more intricate behavior. Pleiades Publishing, Ltd., 2013 computer simulation nationallicence nanoclusters nationallicence gold nationallicence structure nationallicence thermal stability nationallicence Goloven'ko Zh Katanov Khakass State University, pr. Lenina 90, 655017, Abakan, Russia aut Gafner Yu Katanov Khakass State University, pr. Lenina 90, 655017, Abakan, Russia aut Gafner S. Katanov Khakass State University, pr. Lenina 90, 655017, Abakan, Russia aut Redel' L. Katanov Khakass State University, pr. Lenina 90, 655017, Abakan, Russia aut The Physics of Metals and Metallography Springer US; http://www.springer-ny.com 114/12(2013-12-01), 1038-1044 0031-918X 114:12<1038 2013 114 11508 https://doi.org/10.1134/S0031918X13120028 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1134/S0031918X13120028 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Goloven'ko Zh Katanov Khakass State University, pr. Lenina 90, 655017, Abakan, Russia aut NATIONALLICENCE 700 1- Gafner Yu Katanov Khakass State University, pr. Lenina 90, 655017, Abakan, Russia aut NATIONALLICENCE 700 1- Gafner S. Katanov Khakass State University, pr. Lenina 90, 655017, Abakan, Russia aut NATIONALLICENCE 700 1- Redel' L. Katanov Khakass State University, pr. Lenina 90, 655017, Abakan, Russia aut NATIONALLICENCE 773 0- The Physics of Metals and Metallography Springer US; http://www.springer-ny.com 114/12(2013-12-01), 1038-1044 0031-918X 114:12<1038 2013 114 11508 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer