Atomistic Simulations and Experimental Investigations of the Diffusion Behavior of Steel/ZCuPb20Sn5 Bimetals

Wang, Mingjie; Zhang, Guowei; Xu, Hong; Zhang, Yufei

doi:10.3390/coatings10060549

Cited by 3 publications

(1 citation statement)

References 42 publications

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“…In this study, three surface orientations ((100), (110), and (111)) of the γ-Fe/Cu interface were used to calculate the diffusion behavior and mechanical properties of Fe/Cu bimetallic materials. An additional advantage of using a case study approach is that our simulation models are based on our steel-copper bimetallic casting experiment at high temperature [33,34]. The modeling consists of FCC Fe bulk and FCC Cu bulk, and the initialization configurations of a cross-section are shown in Figure 1.…”

Section: Simulation Methodologymentioning

confidence: 99%

Atomic Research on the Diffusion Behavior, Mechanical Properties and Fracture Mechanism of Fe/Cu Solid–Liquid Interface

et al. 2022

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A molecular dynamics simulation was applied to investigate the diffusion behavior and mechanical properties of a Fe/Cu solid–liquid interface with different orientations, temperatures, and strain rates. The results show that the displacement distance of Fe atoms’ diffusion into the Cu matrix was obviously larger than that of Cu atoms’ diffusion into the Fe matrix at any diffusion temperature and diffusion time. Moreover, the diffusion coefficient and diffusion distance both increase with temperature and time, and reach the highest value when the temperature and diffusion time are 1523 K and 3 ns, respectively. Additionally, the diffusion coefficients of the Fe atoms are arranged in the following order: Fe (100) < Fe (110) < Fe (111). The diffusion coefficients of the Cu atoms are arranged in the following order: Cu (110) > Cu (111) > Cu (100), when temperature and time are 1523 K and 3 ns, respectively. The yield strength and fracture strain of the bimetallic interface is positively correlated with the strain rate, but negatively correlated with the tensile temperature. Moreover, the yield strength of the three orientations can be arranged as follows: Fe (110)/Cu (110) > Fe (100)/Cu (100) > Fe (111)/Cu (111), and the yield strength and fracture strain of Fe (110)/Cu (110) diffusion interface are 12.1 GPa and 21% when the strain rate was 1 × 109/s and the tensile temperature was 300 K. The number of stacking faults and dislocations of the diffused Fe/Cu interface decreased significantly in comparison to the undiffused Fe/Cu interface, even in the length of Stair-rod dislocation and Shockley dislocation. All these results lead to a decrease in the tensile yield strength after interface diffusion.

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Section: Simulation Methodologymentioning

confidence: 99%

Atomic Research on the Diffusion Behavior, Mechanical Properties and Fracture Mechanism of Fe/Cu Solid–Liquid Interface

et al. 2022

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Effect of phosphorus on interface characterization of steel–copper bimetals in solid–liquid composite casting

Kang

Zhang

et al. 2022

Materials Today Communications

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Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu1−x-Nix Bimetallic Interface

Zhang

Wang

et al. 2022

Nanomaterials

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To systematically investigate the diffusion behavior of Fe/Cu bimetallic materials and the influence of the Ni element on the diffusion and mechanical properties of the Fe/Cu bimetallic interface, the diffusion distance, diffusion coefficient, and strain–stress process based on molecular dynamics (MD) calculations and experimental testing were analyzed. All simulation results indicated that the liquid Cu matrix had a higher diffusion coefficient but hardly diffused into the Fe matrix, and the solid Fe matrix had a smaller diffusion coefficient but diffused deep into the Cu matrix at the same temperature. Compared with the initial state, the addition of nickel atoms to the Cu matrix favored the improvement of the diffusion coefficient and the diffusion distance of Fe/Cu bimetallic materials. Moreover, we found that the diffusion distance and the yield strength simultaneously increased and then decreased with the increase in Ni atoms, which is in agreement with the experimental test results. These improvements in the diffusion and mechanical properties were attributed to the enrichment of Ni atoms at the interface, but excessive Ni content resulted in deteriorated properties. Finally, our research described the enhancement mechanism of the addition of nickel atoms to the Fe/Cu bimetallic diffusion system. An analysis of the contributions of the diffusion distance, the diffusion coefficient, and the yield strength revealed that the diffusion properties of nickel atoms play an important role in Fe/Cu bimetallic materials.

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Atomistic Simulations and Experimental Investigations of the Diffusion Behavior of Steel/ZCuPb20Sn5 Bimetals

Cited by 3 publications

References 42 publications

Atomic Research on the Diffusion Behavior, Mechanical Properties and Fracture Mechanism of Fe/Cu Solid–Liquid Interface

Atomic Research on the Diffusion Behavior, Mechanical Properties and Fracture Mechanism of Fe/Cu Solid–Liquid Interface

Effect of phosphorus on interface characterization of steel–copper bimetals in solid–liquid composite casting

Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu1−x-Nix Bimetallic Interface

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