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Fizika Tverdogo Tela, 2017, Volume 59, Issue 1, Pages 103–109
DOI: https://doi.org/10.21883/FTT.2017.01.43958.237
(Mi ftt9714)
 

This article is cited in 11 scientific papers (total in 11 papers)

Mechanical properties, strength physics and plasticity

Monte Carlo simulation of the kinetics of decomposition and the formation of precipitates at grain boundaries of the general type in dilute BCC Fe–Cu alloys

I. N. Kar'kinab, L. E. Kar'kinaa, P. A. Korzhavyyac, Yu. N. Gornostyrevab

a Institute of Metal Physics, Ural Division of the Russian Academy of Sciences, Ekaterinburg
b Institute of Quantum Materials Science, Ekaterinburg
c Department of Materials Science and Engineering, KTH Royal Institute of Technology, Stockholm, Sweden
Abstract: The kinetics of decomposition of a polycrystalline Fe–Cu alloy and the formation of precipitates at the grain boundaries of the material have been investigated theoretically using the atomistic simulation on different time scales by (i) the Monte Carlo method implementing the diffusion redistribution of Cu atoms and (ii) the molecular dynamics method providing the atomic relaxation of the crystal lattice. It has been shown that, for a small grain size (D 10 nm), the decomposition in the bulk of the grain is suppressed, whereas the copper-enriched precipitates coherently bound to the matrix are predominantly formed at the grain boundaries of the material. The size and composition of the precipitates depend significantly on the type of grain boundaries: small precipitates (1.2–1.4 nm) have the average composition of Fe–40 at % Cu and arise in the vicinity of low-angle grain boundaries, while larger precipitates that have sizes of up to 4 nm and the average composition of Fe–60 at % Cu are formed near grain boundaries of the general type and triple junctions.
Received: 07.06.2016
English version:
Physics of the Solid State, 2017, Volume 59, Issue 1, Pages 106–113
DOI: https://doi.org/10.1134/S1063783417010140
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: I. N. Kar'kin, L. E. Kar'kina, P. A. Korzhavyy, Yu. N. Gornostyrev, “Monte Carlo simulation of the kinetics of decomposition and the formation of precipitates at grain boundaries of the general type in dilute BCC Fe–Cu alloys”, Fizika Tverdogo Tela, 59:1 (2017), 103–109; Phys. Solid State, 59:1 (2017), 106–113
Citation in format AMSBIB
\Bibitem{KarKarKor17}
\by I.~N.~Kar'kin, L.~E.~Kar'kina, P.~A.~Korzhavyy, Yu.~N.~Gornostyrev
\paper Monte Carlo simulation of the kinetics of decomposition and the formation of precipitates at grain boundaries of the general type in dilute BCC Fe--Cu alloys
\jour Fizika Tverdogo Tela
\yr 2017
\vol 59
\issue 1
\pages 103--109
\mathnet{http://mi.mathnet.ru/ftt9714}
\crossref{https://doi.org/10.21883/FTT.2017.01.43958.237}
\elib{https://elibrary.ru/item.asp?id=28969437}
\transl
\jour Phys. Solid State
\yr 2017
\vol 59
\issue 1
\pages 106--113
\crossref{https://doi.org/10.1134/S1063783417010140}
Linking options:
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  • https://www.mathnet.ru/eng/ftt/v59/i1/p103
  • This publication is cited in the following 11 articles:
    1. P. V. Polyakova, J. A. Baimova, “The Effect of Atomic Interdiffusion at the Al/Su Interface in an Al/Su Composite on Its Mechanical Properties: Molecular Dynamics”, Phys. Metals Metallogr., 124:4 (2023), 394  crossref
    2. P. V. Polyakova, Yu. A. Baimova, “The Effect of Atomic Interdiffusion at the Al/Su Interface in an Al/Su Composite on Its Mechanical Properties: Molecular Dynamics”, Fizika metallov i metallovedenie, 124:4 (2023), 415  crossref
    3. P. E. L'vov, V. V. Svetukhin, “The Effect of Grain Boundary Mobility on the Formation of Second Phases in Nanostructured Binary Alloys”, Phys. Metals Metallogr., 123:10 (2022), 1004  crossref
    4. Shuang Liu, Zongjun Tian, Lida Shen, Mingbo Qiu, Xuesong Gao, “Monte Carlo simulation of ceramic grain growth during laser ablation processing”, Optik, 227 (2021), 165569  crossref
    5. I. N. Karkin, L. E. Karkina, Yu. N. Gornostyrev, P. A. Korzhavyi, “Effect of Ni and Al on the Decomposition Kinetics and Stability of Cu-Enriched Precipitates in Fe–Cu–Ni–Al Alloys: Results of MD + MC Simulation”, Phys. Metals Metallogr., 122:5 (2021), 498  crossref
    6. I. K. Razumov, A. Y. Yermakov, Yu. N. Gornostyrev, B. B. Straumal, “Nonequilibrium phase transformations in alloys under severe plastic deformation”, Phys. Usp., 63:8 (2020), 733–757  mathnet  crossref  crossref  adsnasa  isi  elib
    7. Guowei Zhang, Yuanyuan Kang, Mingjie Wang, Hong Xu, Hongmin Jia, “Atomic diffusion behavior and diffusion mechanism in Fe–Cu bimetal casting process studied by molecular dynamics simulation and experiment”, Mater. Res. Express, 7:9 (2020), 096519  crossref
    8. I. N. Kar'kin, L. E. Kar'kina, Yu. N. Gornostyrev, A. P. Korzhavyi, “Kinetics of early decomposition stages in diluted bcc Fe–Сu–Ni–Al alloy: MC+MD simulation”, Phys. Solid State, 61:4 (2019), 601–608  mathnet  mathnet  crossref  crossref
    9. I.K. Razumov, “RAZMERNYE EFFEKTY V FORMIROVANII SEGREGATsII I ZERNOGRANIChNYI RASPAD V NANOKRISTALLIChESKIKh SPLAVAKh, “Zhurnal fizicheskoi khimii””, Zhurnal fizicheskoi khimii, 2018, no. 7, 1098  crossref
    10. Sang Xiong, Dong Liang, Zhuowen Zhao, “Effects of Lubricants and Nano-Inclusions on Copper Corrosion Behavior and Their Electrical Conductivity”, Journal of Elec Materi, 47:8 (2018), 4694  crossref
    11. I. K. Razumov, “Size Effects in Formation of Segregation and Grain-Boundary Decomposition in Nanocrystalline Alloys”, Russ. J. Phys. Chem., 92:7 (2018), 1338  crossref
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
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