Segregation of components as a necessary condition for the eutectic nature of an alloy and nanoalloy
- Авторлар: Samsonov V.M.1, Talyzin I.V.1, Zhigunov D.V.1
-
Мекемелер:
- Tver State University
- Шығарылым: № 16 (2024)
- Беттер: 387-398
- Бөлім: Theory of nanosystems
- URL: https://bakhtiniada.ru/2226-4442/article/view/319444
- DOI: https://doi.org/10.26456/pcascnn/2024.16.387
- EDN: https://elibrary.ru/FEDRYX
- ID: 319444
Дәйексөз келтіру
Толық мәтін
Аннотация
Employing results of our molecular dynamics experiments performed by using the LAMMPS program and embedded atom method, phase diagrams for binary Ag-Cu and Cu-Ni nanoalloys (binary nanoparticles containing 2000 and 5000 atoms) were constructed and analyzed. The concentration dependence of the melting temperature of nanoparticles was interpreted as the liquidus line. It was found that for the Ag-Cu nanoalloy, the phase diagram corresponds to the simple eutectic, and for the Cu-Ni nanoalloy, it corresponds to the phase diagram of an alloy with unlimited mutual solubility of components. The above results agree with the phase diagrams for the corresponding bulk alloys. It was found that the eutectic temperature decreases with decreasing nanoparticle size; and the value of the mole fraction corresponding to the eutectic point and equal to 0,4 coincides with the value corresponding to the bulk alloy. A hypothesis is put forward about the relationship between the surface segregation of one of the components of the binary alloy/nanoalloy and the eutectic type of the phase diagram. It is concluded that the surface segregation effect is a necessary condition for the eutectic behavior, but is not the sufficient condition.
Авторлар туралы
Vladimir Samsonov
Tver State University
Email: samsonoff@inbox.ru
Dr. Sc., Full Professor, General Physics Department
Igor Talyzin
Tver State UniversityPh. D., Researcher, Management of Scientific Research
Dmitry Zhigunov
Tver State University4th year postgraduate student, General Physics Department
Әдебиет тізімі
- Жуховицкий, А.А. Физическая химия / А.А. Жуховицкий, Л.А. Шварцман; - М.: Металлургия, 1987. - 688 c.
- Барыбин, А.А. Электроника и микроэлектроника / А.А. Барыбин. - М.: ФИЗМАТЛИТ, 2006. - 424 с.
- Kawecki, A. Fabrication, properties and microstructures of high strength and high conductivity copper-silver wires / A. Kawecki, T. Knych, E. Sieja-Smaga et. al. // Archives of Metallurgy and Materials. - 2012. - V. 57. - I. 4. - P. 1261-1270. doi: 10.2478/v10172-012-0141-1.
- Qin, Q.Y. Solidification behavior and microstructure of Ag-Cu eutectic alloy at different sub-rapid cooling rates / Q.Y Qin, J.F Li, L. Yang et. al. // Materials Chemistry and Physics. - 2024. - V. 311. - Art. № 128521. - 8 p. doi: 10.1016/j.matchemphys.2023.128521.
- Taylor, S.L. An investigation of the mechanical and physical properties of copper-silver alloys and the use of these alloys in pre-Columbian America / S.L. Taylor. Doctoral dissertation. - Cambridge: Massachusetts Institute of Technology, 2013. - 105 p.
- Xu, J. Cu nanowires and nanoporous Ag matrix fabricated through directional solidification and selective dissolution of Ag-Cu eutectic alloys /j. Xu, J. Gao, H. Qin et. al. // Materials. - 2022. - V. 15. - I. 22. - Art. № 8189. - 13 p. doi: 10.3390/ma15228189.
- Chowdhury, S. Silver-copper alloy nanoparticles for metal enhanced luminescence / S. Chowdhury, V.R. Bhethanabotla, R. Sen // Applied Physics Letters. - 2009. - V. 95. - I. 13. - Art. № 131115. - 3 p. doi: 10.1063/1.3242007.
- Bronner, S.W. Surface segregation in a dilute copper-silver alloy / S.W. Bronner, P. Wynblatt // Journal of Materials Research. - 1986. - V. 1. - I. 5. - P. 646-651. doi: 10.1557/JMR.1986.0646.
- Langenohl, L. Atomic-resolution observations of silver segregation in a [111] tilt grain boundary in copper / L. Langenohl, T. Brink, G. Richter et. al. // Physical Review B. - 2023. - V. 107. - I. 13. - Art. № 134112. - 14 p. doi: 10.1103/PhysRevB.107.134112.
- Bochicchio, D. Structures and segregation patterns of Ag-Cu and Ag-Ni nanoalloys adsorbed on MgO (001) / D. Bochicchio, R. Ferrando, E. Panizon et. al. // Journal of Physics: Condensed Matter. - 2016. V. 28. - I. 6. - Art. № 064005 - 13 p. doi: 10.1088/0953-8984/28/6/064005.
- van der Walt, C. A study of diffusion, atom migration and segregation in Cu and Ag alloy bulk-and nanocrystals / C. van der Walt, J.J. Terblans, H.C. Swart // AIP Advances. - 2017. - V. 7. - I. 5. - Art. № 055102. - 22 p. doi: 10.1063/1.4983083.
- Samsonov, V.M. On the problem of stability/instability of bimetallic core-shell nanostructures: Molecular dynamics and thermodynamic simulations / V.M. Samsonov, I.V. Talyzin, S.A. Vasilyev, M.I. Alymov // Computational Materials Science. - 2021. - V.199. - Art. № 110710. - 11 p. doi: 10.1016/j.commatsci.2021.110710.
- Beck, L. Silver surface enrichment of silver-copper alloys: a limitation for the analysis of ancient silver coins by surface techniques / L. Beck, S. Bosonnet, S. Réveillon, et. al. // Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. - 2004. - V. 226. - I. 1-2. - P. 153-162. doi: 10.1016/j.nimb.2004.06.044.
- Талызин, И.В. О фазовой диаграмме наносплава Au-Si: молекулярно-динамическое и термодинамическое моделирование / И.В. Талызин, А.Ю. Картошкин, С.А. Васильев и др. // Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов. - 2019. - Вып. 11. - С. 364-373. doi: 10.26456/pcascnn/2019.11.364.
- Samsonov, V.M. On phase diagrams for Au-Si nanosystems: thermodynamic and atomistic simulations / V.M. Samsonov, A.Y. Kartoshkin, I.V. Talyzin et al. // Journal of Physics: Conference Series. - 2020. V. 1658. - I. 1. - Art. № 012047. - 9 p. doi: 10.1088/1742-6596/1658/1/012047.
- Bogatyrenko, S.I. Effect of size on the formation of solid solutions in Ag-Cu nanoparticles / S.I. Bogatyrenko, A.P. Kryshtal, A. Kruk // The Journal of Physical Chemistry C. - 2023. V. 127. - I. 5. - P. 2569-2580. doi: 10.1021/acs.jpcc.2c07132.
- Жданов, Г. С. Кинетика плавления и кристаллизации островковых металлических пленок / Г. С. Жданов // Известия АН СССР, серия физическая. - 1977. - Т. 41. - Вып. 5. - С. 1004-1008.
- Скрипов, В.П. Спонтанная кристаллизация переохлажденных жидкостей / В.П. Скрипов, В.П. Коверда; - М.: Наука, 1984. - 230 с.
- Kofman, R. Melting of clusters approaching 0D / R. Kofman, P. Cheyssac, Y Lereah, A Stella // The European Physical Journal D: Atomic, molecular and optical physics. - 1999. - V. 9. - I. 1. - P. 441-444. doi: 10.1007/978-3-642-88188-6_88.
- Самсонов, В. М. Молекулярно-динамическое исследование плавления и кристаллизации наночастиц / В. М. Самсонов, С. С. Харечкин, С. Л. Гафнер, Л. В. Редель, Ю. Я. Гафнер // Кристаллография. - 2009. Т. 54. - № 3. - С. 563-569.
- Самсонов, В.М. О причинах гистерезиса плавления и кристаллизации наночастиц / В.М. Самсонов, С.А. Васильев, И.В. Талызин, Ю.А. Рыжков // Письма в Журнал экспериментальной и теоретической физики. - 2016. - Т. 103. - Вып. 2. - С. 100-105. doi: 10.7868/S0370274X16020041.
- Thompson, A.P. LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales / A.P. Thompson, H.M. Aktulga, R. Berger et. al. // Computer Physics Communications. - 2022. - V. 271. - Art. № 108171. - 34 p. doi: 10.1016/j.cpc.2021.108171.
- Verlet, L.Computer "experiments" on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules / L. Verlet // Physical Review. - 1967. - V. 159. - I. 1. - P. 98-103. doi: 10.1103/PhysRev.159.98.
- Nosé, S.A. Molecular dynamics method for simulations in the canonical ensemble / S.A. Nosé // Molecular Physics. - 1984. - V. 52. - I. 2. - Р. 255-268. doi: 10.1080/00268978400101201.
- Zhou, X.W. Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers / X.W. Zhou, R.A. Johnson, H.N.G. Wadley // Physical Review B. - 2004. V. 69. - I. 14. - Art. № 144113. - 10 p. doi: 10.1103/PhysRevB.69.144113.
- Samsonov, V. Puzzles of surface segregation in binary Pt-Pd nanoparticles: molecular dynamics and thermodynamic simulations / V. Samsonov, A. Romanov, I. Talyzin et. al. // Metals. - 2023. V. 13. - I. 7. - Art. № 1269. - 20 p. doi: 10.3390/met13071269.
- Samsonov, V.M. Surface segregation in binary metallic nanoparticles: atomistic simulation and thermodynamic modeling / V.M. Samsonov, A.A. Romanov, I.V. Talyzin et. al. // Bulletin of the Russian Academy of Sciences: Physics. - 2024. - V. 88. - I. 5. - P. 739-744. doi: 10.1134/S1062873824706512.
- Дриц, М.Е. Двойные и многокомпонентные системы на основе меди / М.Е. Дриц, Н.Р. Бочвар, Л.С. Гузей и др.; отв. ред. Н.Х. Абрикосов - М.: Наука, 1979. - 248 с.
- Stukowski, A. Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool / A. Stukowski // Modelling and Simulation in Materials Science and Engineering. - 2009. V. 18. - I. 1. - Art. № 015012. - 7 p. doi: 10.1088/0965-0393/18/1/015012.
- Романовский, В.И. Особенности синтеза наночастиц Cu-Ni: эксперимент и компьютерное моделирование / В.И. Романовский, А.Ю. Колосов, А.А. Хорт и др. // Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов. - 2000. - Вып. 12. - С. 293-309. doi: 10.26456/pcascnn/2020.12.293.
Қосымша файлдар
