Interfacial effect on deformation and failure of Al/Cu nanolaminates under shear loading

Lv, Chao; Yang, Jie; Zhang, Xuping; Cai, Y.; Liu, Xiaoyi; Wang, Guiji; Luo, Sheng‐Nian

doi:10.1088/1361-6463/aad2a8

Cited by 10 publications

(3 citation statements)

References 62 publications

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“…In addition, the relationship between stability, mechanical properties, TC, and RE atomic number has not been respectively obtained, and the effects of the second phases and RE solute atoms on the TC have not been systematically compared. Fortunately, in recent years, with the improvement of computing power, theoretical calculation, e.g., first-principles calculations, has been widely used in the analysis of various materials [49][50][51][52][53][54][55][56][57][58]. Herein, we have calculated the defective formation of impurities and then have analyzed the effects of RE solute atoms and vacancy on TC of the Al matrix; finally, the effects of dissolution of 1% RE, as solute atoms and L1 2 Al 3 RE second phases, respectively, on the TC of Al matrix has been discussed.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Investigation of Point Defects on the Thermal Conductivity and Mechanical Properties of Aluminum at Room Temperature

et al. 2023

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The effects of point defects on the mechanical and thermal conductivity of aluminum at room temperature have been investigated based on the first-principles calculations combined with the Boltzmann equation and the Debye model. The calculated results showed the equilibrium lattice constants a0 of all REAl are larger than that of Al, and the defective formation energy Ef of all REAl is lower than that of VAl. Both a0 and Ef increase from Sc to La and then decrease linearly to Lu. The effects of solute atoms on the mechanical properties of the Al matrix were further calculated, and compared with Al, it is found that the REAl defects decrease the elastic constant Cij, Cauchy pressure C12–C44, bulk modulus B, shear modulus G, Young’s modulus E, B/G and Poisson’s ratio ν of Al, except for C44 of REAl (RE = La-Nd). With the increase of atomic number, the C11 and E of Al-containing REAl decrease from Sc to La and then slowly increase to Lu, whereas C12, C44, B, and G have little change. Meanwhile, the values of C12–C44 and B/G of Al-containing REAl increase from Sc to Ce, and it slightly change after Ce, while ν is nearly unchanged. All defects containing Al present nonuniform and ductility. Finally, the effects of rare earth (RE) atoms on the thermal conductivity (TC) of Al alloys have been investigated based on the first-principles calculations. The reduction of TC of Al alloys by RE solute atoms REAl is much greater than that by the L12 Al3RE phase with the same concentration of RE, which is in good agreement with the experiments. With the RE atomic number increasing, the total TC κ of the Al-RE solid solution decreases from Sc to La firstly and then increases linearly to Lu. Moreover, the decrement of TC Δκ of the Al matrix by early REAl (RE = La-Sm) is larger than that by VAl, while the later REAl (RE = Gd-Lu) shows the opposite influence.

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Section: Introductionmentioning

confidence: 99%

First-Principles Investigation of Point Defects on the Thermal Conductivity and Mechanical Properties of Aluminum at Room Temperature

et al. 2023

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“…With the development of computer simulation techniques, molecular dynamics simulations have become an important tool for studying both the deformation behavior and the mechanical properties of materials. These techniques have been successfully applied to study the evolution of defects and plastic deformation processes in shearing [19,20], nano-scratching [21], impact [22,23], tension, and compression [24,25]. Feng et al explored the effect of the interface of crystalline Cu/amorphous Cu 50 Zr 50 on the shear band using MD simulations.…”

Section: Introductionmentioning

confidence: 99%

Shear Localization and Mechanical Properties of Cu/Ta Metallic Nanolayered Composites: A Molecular Dynamics Study

Wang

et al. 2022

Metals

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With their excellent mechanical properties, Cu/Ta metallic nanolayered composites (MNCs) are extensively applied in aerospace and nuclear industry facilities. However, shear localization severely disrupts the ability of these materials to deform uniformly, attracting many researchers. The necessary time and length conditions of experiments limit the investigation of shear localization; thus, relevant studies are insufficient. The molecular dynamics simulation perfectly corresponds to the short duration and high strain rate of the deformation process. Therefore, in this study, we used molecular dynamics simulations to explore the effect of layer thickness on the shear localization of Cu/Ta MNCs with Kurdjumov–Sachs (KS) orientation–related interfaces. Our research demonstrates that shear localization occurs in samples with layer thicknesses below 2.5 nm, resulting in an inverse size effect on the flow strength. The quantitative analysis indicates that the asymmetry of dislocations in the slip transmission across the interface causes interface rotation. This activates dislocations parallel to the interface to glide beyond the distance of individual layer thicknesses, eventually forming shear bands. Both interface rotation and sliding dominate the plastic deformation in the shear band region. In addition, the dislocation density and amorphous phase increase with decreasing layer thickness.

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“…In 2013, graphene-metal (copper and nickel) nanolayered composites with ordered microstructures were synthesized by Kim et al [17] and studying the mechanical properties of these composites leads to a better understanding of the strengthening and toughening mechanisms. Similar to the interfacial resistance [18][19][20], the incoherent graphene-metal interfaces can increase the resistance against dislocation propagation [21].…”

Section: Introductionmentioning

confidence: 99%

Tunable Poisson’s ratio and tension-compression asymmetry of graphene-copper nanolayered composites

Zhang¹,

Zhang²,

Liu³

et al. 2021

J. Phys. D: Appl. Phys.

Self Cite

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The Poisson’s ratios of graphene-copper nanolayered (GrCuNL) composites under tension and compression are investigated by molecular dynamics and theoretical analysis. The Poisson’s ratio of a GrCuNL composite can be tuned by tailoring its repeat layer spacing without changing the topological structures. The effect of constituent nanocrystalline Cu grain size on the Poisson’s ratio is negligible. There are remarkable in-plane anisotropy and tension-compression asymmetry in the Poisson’s ratio due to the chiral difference in compressive stress in graphene layers. A mechanical model considering the chirality and repeat layer spacing is proposed, which can accurately predict the Poisson’s ratio of a GrCuNL composite. For stable GrCuNL composites, the repeat layer spacing should be larger than 2 nm, and their tunable range of Poisson’s ratio is 0.1–0.35.

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Interfacial effect on deformation and failure of Al/Cu nanolaminates under shear loading

Cited by 10 publications

References 62 publications

First-Principles Investigation of Point Defects on the Thermal Conductivity and Mechanical Properties of Aluminum at Room Temperature

First-Principles Investigation of Point Defects on the Thermal Conductivity and Mechanical Properties of Aluminum at Room Temperature

Shear Localization and Mechanical Properties of Cu/Ta Metallic Nanolayered Composites: A Molecular Dynamics Study

Tunable Poisson’s ratio and tension-compression asymmetry of graphene-copper nanolayered composites

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