Simulation of Crystalline Phase Formation in Titanium-Based Bimetallic Clusters

Myasnichenko, V.S.; Sdobnyakov, N.Yu.; Ershov, P.M.; Sokolov, D. N.; Kolosov, A.Yu.; Давыденкова, Екатерина Михайловна

doi:10.4028/www.scientific.net/jnanor.61.32

Cited by 6 publications

(2 citation statements)

References 17 publications

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“…Кроме того, эти зонные структуры могут возникать не только в области образования манжеты, но также в областях, содержащих в основном определенный сорт атомов металла. В дальнейшем изучение температурных зависимостей изменения фазового состава биметаллических нанокластеров распространено нами на другие биметаллические системы [26].…”

Section: результаты и обсуждениеunclassified

Features of Cu - Ni Nanoparticle Synthesis: Experiment and Computer Simulation

Романовский¹,

Колосов²,

Хорт³

et al. 2020

Physical and Chemical Aspects of the Study of Clusters, Nanostructures and Nanomaterials

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Сочетание эксперимента и компьютерного моделирования позволили исследовать особенности процесса синтеза наночастиц Cu - Ni. Наночастицы синтезированы методом экзотермического горения в растворах. Рентгено-фазовый анализ полученных материалов показал, что все образцы представляют собой чистые биметаллические нанопорошки с искаженной кубической кристаллической структурой каждого металла. Методом Монте-Карло в температурном диапазоне от 300 до 600 K установлены закономерности формирования манжеты для двух случаев начального расположения наночастиц меди и никеля: непосредственное соприкосновение и относительное смещение на величину 0,2 нм. Показана возможность тесной интеграции кристаллических структур в результате взаимодействия наночастиц Cu и Ni. Combination of experiment and computer simulation made it possible to study the features of the process of Cu - Ni nanoparticle synthesis. Nanoparticles are synthesized by the method of exothermic combustion in solutions. The X-ray phase analysis of the obtained materials showed that all samples are pure bimetallic nanopowders with a distorted cubic crystal structure of each metal. The Monte-Carlo method in the temperature range from 300 to 600 K established regularities of the neck formation for two cases of the initial location of copper and nickel nanoparticles: direct contact and relative displacement by 0,2 nm. The possibility of close integration of crystal structures as a Cu and Ni nanoparticles interaction result is shown.

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Section: результаты и обсуждениеunclassified

Features of Cu - Ni Nanoparticle Synthesis: Experiment and Computer Simulation

Романовский¹,

Колосов²,

Хорт³

et al. 2020

Physical and Chemical Aspects of the Study of Clusters, Nanostructures and Nanomaterials

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“…Hence, an appropriate fabrication method to produce Ti–Ag-based alloys with fine Ag phases not only in binary alloy systems but also in multicomponent alloys is desired [ 41 ]. It has been reported that Ti-based alloys, including ternary alloys [ 42 , 43 , 44 ], show particular structural changes during mechanical alloying and cooling in nanoscale alloys. The successful fabrication of ternary and/or multicomponent Ti–Ag-based alloys containing fine Ag particles with LPS may offer a unique opportunity for the development of Ti–Ag-based dental and antibacterial materials.…”

Section: Introductionmentioning

confidence: 99%

Alloy Design, Thermodynamics, and Electron Microscopy of Ternary Ti-Ag-Nb Alloy with Liquid Phase Separation

Nagase

2020

Materials

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The Ti–Ag alloy system is an important constituent of dental casting materials and metallic biomaterials with antibacterial functions. The binary Ti–Ag alloy system is characterized by flat liquidus lines with metastable liquid miscibility gaps in the phase diagram. The ternary Ti–Ag-based alloys with liquid phase separation (LPS) were designed based on the mixing enthalpy parameters, thermodynamic calculations using FactSage and Scientific Group Thermodata Europe (SGTE) database, and the predicted ground state diagrams constructed by the Materials Project. The LPS behavior in the ternary Ti–Ag–Nb alloy was investigated using the solidification microstructure analysis in arc-melted ingots and rapidly solidified melt-spun ribbons via trans-scale observations, combined with optical microscopy (OM), scanning electron microscopy (SEM) including electron probe micro analysis (EPMA), transmission electron microscopy (TEM), and scanning transmission electron microscopy (STEM). The solidification microstructures depended on the solidification processing in ternary Ti–Ag–Nb alloys; macroscopic phase-separated structures were observed in the arc-melted ingots, whereas fine Ag globules embedded in the Ti-based matrix were observed in the melt-spun ribbons.

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