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Open AccessArticle

Effect of Cold-Sintering Parameters on Structure, Density, and Topology of Fe–Cu Nanocomposites

1
Center for Computational and Data-Intensive Science and Engineering (CDISE), Skolkovo Institute of Science and Technology (Skoltech), 30, bld. 1, Bolshoy Boulevard, 121205 Moscow, Russia
2
Faculty of Physics, Lomonosov Moscow State University, GSP-1, 1-2 Leninskie Gory, 119991 Moscow, Russia
3
Department of Mechanical Engineering, ORT Braude College, Karmiel 2161002, Israel
4
Department of Materials Science and Engineering, Technion-Israel Institute of Technology, Haifa 32000, Israel
5
Institute of Strength Physics and Materials Science of SB RAS, 2/4, pr. Akademicheskii, 634055 Tomsk, Russia
*
Author to whom correspondence should be addressed.
Materials 2020, 13(3), 541; https://doi.org/10.3390/ma13030541
Received: 15 November 2019 / Revised: 16 January 2020 / Accepted: 19 January 2020 / Published: 23 January 2020
(This article belongs to the Special Issue Computer-Aided Design and Modeling of Materials at Different Scales)
The design of advanced nanostructured materials with predetermined physical properties requires knowledge of the relationship between these properties and the internal structure of the material at the nanoscale, as well as the dependence of the internal structure on the production (synthesis) parameters. This work is the first report of computer-aided analysis of high pressure consolidation (cold sintering) of bimetallic nanoparticles of two immiscible (Fe and Cu) metals using the embedded atom method (EAM). A detailed study of the effect of cold sintering parameters on the internal structure and properties of bulk Fe–Cu nanocomposites was conducted within the limitations of the numerical model. The variation of estimated density and bulk porosity as a function of Fe-to-Cu ratio and consolidation pressure was found in good agreement with the experimental data. For the first time, topological analysis using Minkowski functionals was applied to characterize the internal structure of a bimetallic nanocomposite. The dependence of topological invariants on input processing parameters was described for various components and structural phases. The model presented allows formalizing the relationship between the internal structure and properties of the studied nanocomposites. Based on the obtained topological invariants and Hadwiger’s theorem we propose a new tool for computer-aided design of bimetallic Fe–Cu nanocomposites. View Full-Text
Keywords: Fe–Cu nanocomposite; internal structure; bimetallic nanoparticles; cold sintering; high pressure; computer-aided design; Minkowski functionals; property prediction; computer modeling Fe–Cu nanocomposite; internal structure; bimetallic nanoparticles; cold sintering; high pressure; computer-aided design; Minkowski functionals; property prediction; computer modeling
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MDPI and ACS Style

Tsukanov, A.; Ivonin, D.; Gotman, I.; Gutmanas, E.Y.; Grachev, E.; Pervikov, A.; Lerner, M. Effect of Cold-Sintering Parameters on Structure, Density, and Topology of Fe–Cu Nanocomposites. Materials 2020, 13, 541.

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