Atomic-scale simulation of structure and mechanical properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.gif" overflow="scroll"><mml:mrow><mml:mi mathvariant="normal">C</mml:mi><mml:msub><mml:mi mathvariant="normal">u</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ag</mml:mtext></mml:mrow><mml:mi>x</mml:mi></mml:msub></mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:mtext>Ni</mml:mtext

Gola, Adrien; Gumbsch, Peter; Pastewka, Lars

doi:10.1016/j.actamat.2018.02.046

Cited by 18 publications

(6 citation statements)

References 70 publications

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“…3b. As observed in previous work under parallel shear to the interface, FCC nanolaminates accommodate the deformation by interface sliding [36,44]. The higher resistance to shear therefore emerges because the interfacial shear strength increases: Any dislocation with a Burgers vector component normal to interface that sits at the interface provides an obstacle to dislocation gliding parallel and along the interface.…”

Section: Discussionsupporting

confidence: 53%

“…The first effect of misorientation away from the most favourable slip plane {111} is the increase of yield stress with increasing misorientation θ during the simple shear deformation (parallel to the initial x-y interface plane) in shear to the interface, FCC nanolaminates accommodate the deformation by interface sliding [36,44]. The higher resistance to shear therefore emerges because the interfacial shear strength increases: Any dislocation with a Burgers vector component normal to the interface that sits at the interface provides an obstacle to dislocation gliding parallel and along the interface.…”

Section: Discussionmentioning

confidence: 99%

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Pattern formation during deformation of metallic nanolaminates

Gola

Schwaiger

Gumbsch

et al. 2020

Phys. Rev. Materials

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We used nonequilibrium molecular dynamics simulations to study the shear deformation of metallic composites composed of alternating layers of Cu and Au. Our simulations reveal the formation of "vortices" or "swirls" if the bimaterial interfaces are atomically rough and if none of the {111} planes that accommodate slip in fcc materials is exactly parallel to this interface. We trace the formation of these patterns back to grain rotation, induced by hindering dislocations from crossing the bimaterial interface. The instability is accompanied by shear-softening of the material. These calculations shed new light on recent observations of pattern formation in plastic flow, mechanical mixing of materials and the common formation of a tribomutation layer in tribologically loaded systems.

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Section: Discussionsupporting

confidence: 53%

Section: Discussionmentioning

confidence: 99%

Pattern formation during deformation of metallic nanolaminates

Gola

Schwaiger

Gumbsch

et al. 2020

Phys. Rev. Materials

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“…Using computer simulations, however, the same initial microstructure can be used for varying conditions and material compositions, making it easy to compare the current microstructure of a tribologically loaded surface to its initial state via exact superposition. Additionally, experimental studies at this length scale are costly and time-consuming, which is why computer simulations have become an important means to study and quantify complex phenomena as well as to identify the associated mechanisms [34,35]. Finally, the time span observable with MD is perfectly reasonable to study the phenomena happening during the early stages of the sliding process, which greatly influences its later stages.…”

Section: Introductionmentioning

confidence: 99%

Elucidating the Onset of Plasticity in Sliding Contacts Using Differential Computational Orientation Tomography

Eder

Grützmacher²,

Ripoll

et al. 2021

Tribol Lett

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Depending on the mechanical and thermal energy introduced to a dry sliding interface, the near-surface regions of the mated bodies may undergo plastic deformation. In this work, we use large-scale molecular dynamics simulations to generate “differential computational orientation tomographs” (dCOT) and thus highlight changes to the microstructure near tribological FCC alloy surfaces, allowing us to detect subtle differences in lattice orientation and small distances in grain boundary migration. The analysis approach compares computationally generated orientation tomographs with their undeformed counterparts via a simple image analysis filter. We use our visualization method to discuss the acting microstructural mechanisms in a load- and time-resolved fashion, focusing on sliding conditions that lead to twinning, partial lattice rotation, and grain boundary-dominated processes. Extracting and laterally averaging the color saturation value of the generated tomographs allows us to produce quantitative time- and depth-resolved maps that give a good overview of the progress and severity of near-surface deformation. Corresponding maps of the lateral standard deviation in the color saturation show evidence of homogenization processes occurring in the tribologically loaded microstructure, frequently leading to the formation of a well-defined separation between deformed and undeformed regions. When integrated into a computational materials engineering framework, our approach could help optimize material design for tribological and other deformation problems. Graphic Abstract .

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“…The nanolaminates' exceptional properties can be connected to two associated factors, the reduction in layer thickness to the intrinsic scales of dislocations, such as the Burgers vector or the splitting distance of Shockley partials and the importance of interfaces in the system [21]. These metallic nanolaminates not only exhibit enhanced strength and hardness [20,[22][23][24][25], wear resistance [26,27] or toughness [28] but also offer the possibility to tailor those properties by choosing material combinations [29]. Metallic nanolaminates have been characterized using indentation [3,4] and scratch [5] experiments but not yet using tips of nanometer size.…”

Section: Introductionmentioning

confidence: 99%

Scratching Cu|Au Nanolaminates

Gola

Pastewka

2019

Lubricants

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We used molecular dynamics simulations to study the scratching of Cu|Au nanolaminates of 5 nm layer thickness with a nanoscale indenter of 15 nm radius at normal forces between 0.5 μ N and 2 μ N. Our simulations show that Au layers wear quickly while Cu layers are more resistant to wear. Plowing was accompanied by the roughening of the Cu|Au heterointerface that lead to the folding of the nanolaminate structure at the edge of the wear track. Our explorative simulations hint at the complex deformation processes occurring in nanolaminates under tribological load.

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Atomic-scale simulation of structure and mechanical properties of Cu1−xAgx|Ni

Cited by 18 publications

References 70 publications

Pattern formation during deformation of metallic nanolaminates

Pattern formation during deformation of metallic nanolaminates

Elucidating the Onset of Plasticity in Sliding Contacts Using Differential Computational Orientation Tomography

Scratching Cu|Au Nanolaminates

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