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Pis'ma v Zh. Èksper. Teoret. Fiz.:

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Pis'ma v Zh. Èksper. Teoret. Fiz., 2009, Volume 89, Issue 7, Pages 425–431 (Mi jetpl403)  

This article is cited in 20 scientific papers (total in 20 papers)


Structural transitions in small nickel clusters

S. L. Gafnera, L. V. Redel'a, Zh. V. Goloven'koa, Yu. Ya. Gafnera, V. M. Samsonovb, S. S. Kharechkinb

a N. F. Katanov Khakas State University
b Tver State University

Abstract: The processes of a thermal impact on Ni nanoclusters with a radius of up to 0.8 nm have been studied by means of molecular dynamics with the use of a tight-binding potential. The simulation indicates that the structural transition from the initial fcc phase to the icosahedral modification occurs under the influence of temperature. The transition temperature is shifted towards the cluster melting temperature with an increase in the cluster size. A similar behavior has been observed for copper and gold nanoparticles. A conclusion has been drawn that 200–250 atoms is presumably the limiting size of a metallic cluster, below which the initial fcc modification cannot be kept under realistic industrial conditions. The adequacy of the results is checked in the computer experiments with Lennard-Jones nanoparticles. The results for the Lennard-Jones and metallic nanoparticles have been shown to agree with each other.

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English version:
Journal of Experimental and Theoretical Physics Letters, 2009, 89:7, 364–369

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PACS: 61.46.Bc
Received: 04.02.2009
Revised: 05.03.2009

Citation: S. L. Gafner, L. V. Redel', Zh. V. Goloven'ko, Yu. Ya. Gafner, V. M. Samsonov, S. S. Kharechkin, “Structural transitions in small nickel clusters”, Pis'ma v Zh. Èksper. Teoret. Fiz., 89:7 (2009), 425–431; JETP Letters, 89:7 (2009), 364–369

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    This publication is cited in the following articles:
    1. Samsonov V.M., “Byla li nanonauka 50 let nazad?”, Vestn. Tverskogo gos. un-ta. Ser.: Fizika, 2009, no. 6, 92–97  elib
    2. Samsonov V.M., “O probleme teploemkosti nanoklasterov i nanostrukturirovannykh materialov”, Vestnik tverskogo gosudarstvennogo universiteta. seriya: fizika, 2011, no. 14, 4–13  elib
    3. Bembel A.G., Samsonov V.M., “Molekulyarno-dinamicheskoe issledovanie fazovykh perekhodov v svobodnykh klasterakh svintsa i klasterakh svintsa na tverdoi poverkhnosti”, Vestnik tverskogo gosudarstvennogo universiteta. seriya: fizika, 2011, no. 13, 73–81  elib
    4. Samsonov V.M., Bembel A.G., Shakulo O.V., “O fazovykh perekhodakh pervogo roda v klasterakh nikelya”, Vestnik tverskogo gosudarstvennogo universiteta. Seriya: fizika, 2011, no. 13, 82–93  elib
    5. Gafner S.L., Redel L.V., Gafner Yu.Ya., “Vliyanie formy sintezirovannykh iz gazovoi sredy klasterov Ni i Cu na teploemkost”, Nanomaterialy i nanostruktury — XXI vek, 2 (2011), 14–22  elib
    6. Gafner S.L., Redel L.V., Gafner Yu.Ya., “Molecular-Dynamics Simulation of the Heat Capacity for Nickel and Copper Clusters: Shape and Size Effects”, J. Exp. Theor. Phys., 114:3 (2012), 428–439  crossref  adsnasa  isi  elib  scopus
    7. Gafner Yu.Ya., Goloven'ko Zh.V., Gafner S.L., “Formation of the Structure of Gold Nanoclusters During Crystallization”, J. Exp. Theor. Phys., 116:2 (2013), 252–265  crossref  adsnasa  isi  elib  scopus
    8. Goloven'ko Zh.V., Gafner Yu.Ya., Gafner S.L., Redel' L. V., “Thermal Stability of Structure in Small Gold Clusters”, Phys. Metals Metallogr., 114:12 (2013), 1038–1044  crossref  adsnasa  isi  scopus
    9. Samsonov V.M., Vasilyev S.A., Bembel A.G., Samsonov T.E., Skopich V.L., “Molecular Dynamics Investigation of the Size Dependence of the Heat of Melting of Metal Nanoclusters”, Phys. Solid State, 56:12 (2014), 2369–2373  crossref  adsnasa  isi  elib  scopus
    10. Samsonov V.M., Bembel A.G., Shakulo O.V., Vasilyev S.A., “Comparative Molecular Dynamics Study of Melting and Crystallization of Ni and Au Nanoclusters”, Crystallogr. Rep., 59:4 (2014), 580–585  crossref  mathscinet  adsnasa  isi  elib  scopus
    11. Baidyshev V.S., Gafner Yu.Ya., Samsonov V.M., Bembel A.G., “Modeling Possible Structural Transitions in Aluminum and Lead Nanoclusters”, Crystallogr. Rep., 60:1 (2015), 95–100  crossref  adsnasa  isi  elib  scopus
    12. Gafner Yu.Ya., Baidyshev V.S., Gafner S.L., “Effect of Disorder on the Structure of Small Aluminum Clusters During Heat Treatment”, Phys. Solid State, 57:1 (2015), 188–196  crossref  adsnasa  isi  elib  scopus
    13. V. M. Samsonov, S. A. Vasiliyev, I. V. Talyzin, Yu. A. Ryzhkov, “On reasons for the hysteresis of melting and crystallization of nanoparticles”, JETP Letters, 103:2 (2016), 94–99  mathnet  crossref  crossref  isi  elib
    14. Baidyshev V.S., Gafner Yu.Ya., “Formation of structure in small lead clusters under thermal effect”, Crystallogr. Rep., 61:7 (2016), 1096–1101  crossref  isi  elib  scopus
    15. Samsonov V.M., Talyzin I.V., Samsonov M.V., “On the effect of heating and cooling rates on the melting and crystallization of metal nanoclusters”, Tech. Phys., 61:6 (2016), 946–949  crossref  isi  elib  scopus
    16. Samsonov V.M., Vasilyev S.A., Bembel A.G., “Size dependence of the melting temperature of metallic nanoclusters from the viewpoint of the thermodynamic theory of similarity”, Phys. Metals Metallogr., 117:8 (2016), 749–755  crossref  isi  scopus
    17. Samsonov V.M., Chernyshova A.A., “On the size dependence of the surface energy of metal nanoclusters”, Colloid J., 78:3 (2016), 378–385  crossref  isi  elib  scopus
    18. Samsonov V.M., Bembel A.G., Samsonov T.E., Popov I.V., Vasilyev S.A., “On the Rheological Behavior of Nanoparticles in the Force Field of the Solid Surface: Nanotechnological Aspects”, Nanotechnol. Russ., 11:9-10 (2016), 553–561  crossref  isi  scopus
    19. Bembel A.G., “On the Size Dependences of the Metallic Nanoparticle Evaporation and Sublimation Heats: Thermodynamics and Atomistic Modeling”, Russ. Phys. J., 59:10 (2017), 1567–1574  crossref  isi  scopus
    20. Samsonov V.M., Vasilyev S.A., Samsonov M.V., Bembel A.G., Belotserkovskii A.V., Rybakov D.I., “Molecular Dynamics Search For Magic Numbers For Silver and Copper Clusters”, J. Struct. Chem., 58:7 (2017), 1377–1382  crossref  isi  scopus
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