Spiral Patterns of Dislocations at Nodes in (111) Semi-coherent FCC Interfaces

Shao, Shuai; Wang, Jian; Misra, Amit; Hoagland, R. G.

doi:10.1038/srep02448

Cited by 96 publications

(57 citation statements)

References 37 publications

(45 reference statements)

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“…Dynamic boundary conditions were adopted to achieve zero normal stress and zero shear stresses in the interface plane. We found that a node can adopt different atomic structures corresponding to mechanical perturbation, thermal fluctuation, or vacancy/interstitial absorption at a node [31][32][33]37,38,[47][48][49]. The details of the different node structures and dislocations nucleation are discussed in later sections.…”

Section: Methodsmentioning

confidence: 96%

“…These have been shown to produce reliable results [37,38,[42][43][44]. A Cu-Ni bi-crystal model containing a single Cu-Ni interface is assembled by joining two semi-infinite Cu and Ni crystals with the same crystallographic orientations and coordinates, x along ½11 2, y along ½111, and z along½1…”

Section: Methodsmentioning

confidence: 98%

“…The mechanisms of dislocation nucleation from such interfaces are not understood. The {1 1 1} interface between two face centered cubic (fcc) crystals is an example of this kind of interface [37]. Atomistic simulations recently revealed that misfit dislocations have a wide core on the interface, particularly when the spacing between misfit dislocations approaches several times the Burgers vector and/or the coherent interface has a low shear resistance or low stacking fault energy [37,38].…”

Section: Introductionmentioning

confidence: 99%

“…The {1 1 1} interface between two face centered cubic (fcc) crystals is an example of this kind of interface [37]. Atomistic simulations recently revealed that misfit dislocations have a wide core on the interface, particularly when the spacing between misfit dislocations approaches several times the Burgers vector and/or the coherent interface has a low shear resistance or low stacking fault energy [37,38]. More importantly, misfit dislocation intersections (or nodes) are found to adopt multiple dislocation structures under mechanical loadings [37].…”

Section: Introductionmentioning

confidence: 99%

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Glide dislocation nucleation from dislocation nodes at semi-coherent {1 1 1} Cu–Ni interfaces

et al. 2015

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a b s t r a c tUsing atomistic simulations and dislocation theory on a model system of semi-coherent {1 1 1} interfaces, it is shown that misfit dislocation nodes adopt multiple atomic arrangements corresponding to the creation and redistribution of excess volume at the nodes. Four distinctive node structures were identified: volume-smeared nodes with (i) spiral or (ii) straight dislocation patterns, and volume-condensed nodes with (iii) triangular or (iv) hexagonal dislocation patterns. Volume-smeared nodes contain interfacial dislocations lying in the Cu-Ni interface but volume-condensed nodes contain two sets of interfacial dislocations in the two adjacent interfaces and jogs across the atomic layer between the two adjacent interfaces. Under biaxial tension/compression applied parallel to the interface, it is shown that the nucleation of lattice dislocations is preferred at the nodes and is correlated with the reduction of excess volume at the nodes.

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Section: Methodsmentioning

confidence: 96%

Section: Methodsmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Glide dislocation nucleation from dislocation nodes at semi-coherent {1 1 1} Cu–Ni interfaces

et al. 2015

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“…However, there are cases where the interface dislocations lose the privilege to nucleate lattice dislocations. For instance, the core-size of the misfit dislocation in the interfaces with lower shear resistance (such as the FCC {111} interfaces) tends to spread, thereby reducing the strain concentration associated with the dislocation core necessary for the nucleation [20][21][22]32]. In this scenario, the dislocation intersections (nodes) may be the only source available for lattice dislocation nucleation.…”

Section: Introductionmentioning

confidence: 99%

Relaxation Mechanisms, Structure and Properties of Semi-Coherent Interfaces

Shao

Wang

2015

Metals

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Abstract:In this work, using the Cu-Ni (111) semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE) profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes). This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes. The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes' structural transformation. Several node structures have been observed and analyzed. The various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.

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Epitaxial Growth of Phosphorene on Cu Substrate: The Essential Role of Interface Strain

Niu,

Gao,

et al. 2024

Adv Funct Materials

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Two‐dimensional (2D) material epitaxially grown on a metal substrate with precise lattice registry and strong bonding can result in substantial strain within both the 2D layer and the metal surface. In turn, the strain energy has a pronounced influence on the morphology and physical properties of epitaxial films. Here, through a comprehensive approach by combining scanning tunneling microscopy and atomistic simulations, it is demonstrated that monolayer ultraflat blue phosphorene (blueP) and the topmost Cu(111) layer are in the perfect atomic registry. This Cu layer undergoes significant compressive strain, giving rise to a semi‐coherent interface between the blueP‐attached Cu layer and the underlying Cu layers. Straight and spiral dislocation patterns are observed due to strain relief, which strongly depends on the thermal annealing temperature. Dislocation lines intersect to form periodic nodes that can adopt multiple atomic arrangements correlated to the dislocation patterns. Stone‐Wales defects are distinctly imaged within the blueP layer, exhibiting periodic corrugations along the dislocation lines due to the presence of interface strain. This work underscores the potential of epitaxial layers with strong interfacial interactions as promising model systems for exploring dislocation theory and the implication for material functionality engineered by strain.

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Spiral Patterns of Dislocations at Nodes in (111) Semi-coherent FCC Interfaces

Cited by 96 publications

References 37 publications

Glide dislocation nucleation from dislocation nodes at semi-coherent {1 1 1} Cu–Ni interfaces

Glide dislocation nucleation from dislocation nodes at semi-coherent {1 1 1} Cu–Ni interfaces

Relaxation Mechanisms, Structure and Properties of Semi-Coherent Interfaces

Epitaxial Growth of Phosphorene on Cu Substrate: The Essential Role of Interface Strain

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