The relaxed structure of intrinsic dislocation networks in semicoherent interfaces: predictions from anisotropic elasticity theory and comparison with atomistic simulations

Vattré, A.; Abdolrahim, Niaz; Navale, Sanket Sunil; Demkowicz, Michael J.

doi:10.1016/j.eml.2019.02.003

Cited by 6 publications

(1 citation statement)

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“…It is worth mentioning that after multiple annealing stages, the flat morphology of GBs change to a curved one, producing microstructures similar to those of reported in the experimental studies 55 . Such an annealing protocol minimizes dislocation core energies of misfit dislocations located at the interfacial region 56 . During all annealing stages, the isothermal-isobaric barostat (NPT) was employed to ensure zero pressure in all three directions and a lack of residual thermal stress within the samples.…”

Section: Methodology and Simulation Detailsmentioning

confidence: 99%

Strain-rate-dependent plasticity of Ta-Cu nanocomposites for therapeutic implants

Kardani,

Montazeri,

Urbassek

2023

Sci Rep

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Recently, Ta/Cu nanocomposites have been widely used in therapeutic medical devices due to their excellent bioactivity and biocompatibility, antimicrobial property, and outstanding corrosion and wear resistance. Since mechanical yielding and any other deformation in the patient's body during treatment are unacceptable in medicine, the characterization of the mechanical behavior of these nanomaterials is of great importance. We focus on the microstructural evolution of Ta/Cu nanocomposite samples under uniaxial tensile loading conditions at different strain rates using a series of molecular dynamics simulations and compare to the reference case of pure Ta. The results show that the increase in dislocation density at lower strain rates leads to the significant weakening of the mechanical properties. The strain rate-dependent plastic deformation mechanism of the samples can be divided into three main categories: phase transitions at the extreme strain rates, dislocation slip/twinning at lower strain rates for coarse-grained samples, and grain-boundary based activities for the finer-grained samples. Finally, we demonstrate that the load transfer from the Ta matrix to the Cu nanoparticles via the interfacial region can significantly affect the plastic deformation of the matrix in all nanocomposite samples. These results will prove useful for the design of therapeutic implants based on Ta/Cu nanocomposites.

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Section: Methodology and Simulation Detailsmentioning

confidence: 99%