MD simulation of effect of crystal orientations and substrate temperature on growth of Cu/Ni bilayer films

Fu, Tao; Peng, Xianghe; Zhao, Yinbo; Feng, Chao; Huang, Cheng; Li, Qibin; Wang, Zhongchang

doi:10.1007/s00339-015-9592-3

Cited by 27 publications

(7 citation statements)

References 41 publications

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“…The embedded atom method (EAM) potential developed by Daw and Baskes 22 23 was chosen to describe the force between the atoms in the multilayer films, involving Cu-Cu, Ni-Ni and Cu-Ni interatomic potentials. The parameters for the potentials were given by Zhou and Wadley 24 , which had been validated to be able to reproduce the physical properties of Cu-Ni system 25 . The Morse potential 26 , which had widely been used to solve surface contact problems 27 28 , was adopted to compute the interaction between the atoms in the indenter and multilayer film (C-Ni and C-Cu potentials), and the parameters involved were taken from the works by Chang et al .…”

Section: Methodsmentioning

confidence: 99%

Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter

Peng

Chen

et al. 2016

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128

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We performed molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter, aimed to investigate the effects of hetero-twin interface and twin thickness on hardness. We found that both twinning partial slip (TPS) and partial slip parallel with twin boundary (PSPTB) can reduce hardness and therefore should not be ignored when evaluating mechanical properties at nanoscale. There is a critical range of twin thickness λ (~25 Å < λ < ~31 Å), in which hardness of the multilayer films is maximized. At a smaller λ, TPSs appear due to the reaction between partial dislocations and twin boundary accounts for the softening-dominated mechanism. We also found that the combination of the lowered strengthening due to confined layer slips and the softening due to TPSs and PSPTBs results in lower hardness at a larger λ.

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Section: Methodsmentioning

confidence: 99%

Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter

Peng

Chen

et al. 2016

Sci Rep

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128

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“…According to lattice mismatch parameter on an interface, δ = (a A − a B )/a A , the multilayered films consisting of the constituents (A and B) with the same lattice structure can be divided into three groups, namely, coherent (δ ≤ 5%), semi-coherent (5% ≤ δ ≤ 25%), and non-coherent multilayer (δ ≥ 25%) groups. It is known that molecular dynamics (MD) simulation is an effective method to study the deformation and mechanical behavior of materials [24][25][26][27][28]. For example, with MD simulation, Shao et al studied the relaxation mechanisms and misfit dislocation patterns of semi-coherent interfaces in a FCC/FCC multilayered film [29][30][31][32], where FCC is the abbreviation for Face-Centered Cubic.…”

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confidence: 99%

Inapparent Strengthening Effect of Twin Interface in Cu/Pd Multilayered Films with a Large Lattice Mismatch

et al. 2019

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It has been found that there are two kinds of interfaces in a Cu/Pd multilayered film, namely, cube-on-cube and twin. However, the effects of the interfacial structure and modulation period on the mechanical properties of a Cu/Pd multilayered film remain unclear. In this work, molecular dynamics simulations of Cu/Pd multilayered film with different interfaces and modulation periods under in-plane tension are performed to investigate the effects of the interfacial structure and modulation period. The interface misfit dislocation net exhibits a periodic triangular distribution, while the residual internal stress can be released through the bending of dislocation lines. With the increase of the modulation period, the maximum stress shows an upward trend, while the flow stress declines. It was found that the maximum stress and flow stress of the sample with a cube-on-cube interface is higher than that of the sample with a twin interface, which is different from the traditional cognition. This unusual phenomenon is mainly attributed to the discontinuity and unevenness of the twin boundaries caused by the extremely severe lattice mismatch.in Cu/Pd multilayered film is unquestionable. Since Cu/Pd multilayered films were first found to have excellent mechanical performance, such as an increase of strength and hardness, in this work, it will be selected as a representative to study the mechanical properties of multilayered films [16][17][18][19][20].The modulation period (λ) and modulation ratio (η) are the thickness of a representative unit in a multilayered film and the ratio of the layer thickness of each constituent, respectively [21,22]. The change of λ and η may induce a change of interface proportion and the space for dislocation movement. Moreover, the grain boundary-dominated deformation mechanism may also vary with the variation of λ and η. For example, as λ decreases, the dominant deformation mechanisms in metallic multilayered films may vary from "dislocation pile-up" to "confined layer slip", or to "interface crossing" [21]. With the decrease of λ, the strengthening caused by the dislocation pile-up is weakened due to fact that a large number of dislocations between the interfaces can be stored in layers. However, the strengthening induced by the glide of single dislocations confined by interfaces ("confined layer slip") or the weakening resulting from dislocation crossing the interface ("interface crossing") dominate would play a leading role. Therefore, λ and η have significant effects on the mechanical properties of a multilayered film. This has an essential guiding significance to establish the relationship between the mechanical performance and modulation parameters for the design and development of high-performance multilayered films with excellent mechanical properties. In this work, we will mainly focus on the effects of λ on mechanical properties.Last but not least, interfaces, the transition zone between two components in nanostructured metallic multilayered films, can act as sources of defects, sin...

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“…The embedded atom method (EAM) developed by Daw et al [ 22 ] has been widely adopted to study the defects and their evolution [ 23 ], dislocation-CTB interaction [ 13 , 24 , 25 ], and deposition and growth problems [ 26 ] in metals and alloys. In the MD simulation for the nanoindentation on nt-Ta films, EAM potential [ 22 ] is employed and the parameters suggested by Ravelo et al [ 27 ] are adopted.…”

Section: Methodsmentioning

confidence: 99%

Investigation of Interaction between Dislocation Loop and Coherent Twin Boundary in BCC Ta Film during Nanoindentation

et al. 2017

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In this work, the interaction between dislocation loop (DL) and coherent twin boundary (CTB) in a body-centered cubic (BCC) tantalum (Ta) film during nanoindentation was investigated with molecular dynamics (MD) simulation. The formation and propagation of <111> full DLs in the nanotwinned (nt) Ta film during the indentation was observed, and it was found that CTB can strongly affect the stress distribution in the Ta film, and thus change the motion and type of dislocations. There are three kinds of mechanisms for the interaction between DL and CTB in a twinned BCC Ta film: (i) dislocation absorption, (ii) dislocation desorption, and (iii) direct slip transmission. The nucleation of twin boundary dislocations and the formation of the steps in CTB were also observed during the indentation. The mechanisms presented in this work can provide atomic images for understanding the plastic deformation of BCC metals with mirror-symmetry grain boundary structures, and provide available information for the evaluation and design of high-performance nt BCC metallic thin film coatings.

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MD simulation of effect of crystal orientations and substrate temperature on growth of Cu/Ni bilayer films

Cited by 27 publications

References 41 publications

Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter

Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter

Inapparent Strengthening Effect of Twin Interface in Cu/Pd Multilayered Films with a Large Lattice Mismatch

Investigation of Interaction between Dislocation Loop and Coherent Twin Boundary in BCC Ta Film during Nanoindentation

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