Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited

Vattré, A.; Devincre, Benoît; Feyel, Frédéric; Gatti, Riccardo; Groh, Sébastien; Jamond, Olivier; Roos, Arjen

doi:10.1016/j.jmps.2013.07.003

Cited by 107 publications

(93 citation statements)

References 44 publications

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“…Refs. [251][252][253][254][255]). A code tackling simultaneously the evolving growth morphology and the evolution of the corresponding dislocation network, considering their mutual influence, is what we envision as the future key step.…”

Section: Discussionmentioning

confidence: 99%

Continuum modelling of semiconductor heteroepitaxy: an applied perspective

Bergamaschini

Salvalaglio

Backofen

et al. 2016

Advances in Physics: X

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Semiconductor heteroepitaxy involves a wealth of qualitatively different, competing phenomena. Examples include threedimensional island formation, injection of dislocations, mixing between film and substrate atoms. Their relative importance depends on the specific growth conditions, giving rise to a very complex scenario. The need for an optimal control over heteroepitaxial films and/or nanostructures is widespread: semiconductor epitaxy by molecular beam epitaxy or chemical vapour deposition is nowadays exploited also in industrial environments. Simulation models can be precious in limiting the parameter space to be sampled while aiming at films/nanostructures with the desired properties. In order to be appealing (and useful) to an applied audience, such models must yield predictions directly comparable with experimental data. This implies matching typical time scales and sizes, while offering a satisfactory description of the main physical driving forces. It is the aim of the present review to show that continuum models of semiconductor heteroepitaxy evolved significantly, providing a promising tool (even a working tool, in some cases) to comply with the above requirements. Several examples, spanning from the nanometre to the micron scale, are illustrated. Current limitations and future research directions are also discussed.

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Section: Discussionmentioning

confidence: 99%

Continuum modelling of semiconductor heteroepitaxy: an applied perspective

Bergamaschini

Salvalaglio

Backofen

et al. 2016

Advances in Physics: X

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“…Both solutions make use of a coupling between DD and FEM simulations and were successfully applied to micro-and nanomaterials. [176][177][178] The problem of dislocation-GB interactions is more complex. At a low stress level, the simplest solution considering grain boundary as a nonpenetrable interface is justified and was used with success in past studies.…”

Section: -12 Gerberich Et Almentioning

confidence: 99%

Review Article: Case studies in future trends of computational and experimental nanomechanics

Tadmor

Kysar

Zimmerman

et al. 2017

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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With rapidly increasing numbers of studies of new and exotic material uses for perovskites and quasicrystals, these demand newer instrumentation and simulation developments to resolve the revealed complexities. One such set of observational mechanics at the nanoscale is presented here for somewhat simpler material systems. The expectation is that these approaches will assist those materials scientists and physicists needing to verify atomistic potentials appropriate to the nanomechanical understanding of increasingly complex solids. The five following segments from nine University, National and Industrial Laboratories both review and forecast where some of the important approaches will allow a confirming of how in situ mechanics and nanometric visualization might unravel complex phenomena. These address two-dimensional structures, temporal models for the nanoscale, atomistic and multiscale friction fundamentals, nanoparticle surfaces and interfaces a) Electronic

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“…Other constitutive models include more physical phenomena and provide generic, high-quality results compared to the experiments [15,26,45,47] and require the assessments of the model parameters. The finite element method (FEM) provides an even higher level of accuracy but is computationally more expensive and is commonly not used within an integrated computational design framework [16,32,48,51,61,92,101]. As shown in Fig.…”

Section: Plastic Deformationmentioning

confidence: 99%

A Computational Framework for Material Design

Kattner

Campbell

2017

Integr Mater Manuf Innov

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A computational framework is proposed that enables the integration of experimental and computational data, a variety of user-selected models, and a computer algorithm to direct a design optimization. To demonstrate this framework, a sample design of a ternary Ni-Al-Cr alloy with a high work-to-necking ratio is presented. This design example illustrates how CALPHAD phase-based, composition and temperature-dependent phase equilibria calculations and precipitation models are coupled with models for elastic and plastic deformation to calculate the stress-strain curves. A genetic algorithm then directs the search within a specific set of composition and processing constraints for the ideal composition and processing profile to optimize the mechanical properties. The initial demonstration of the framework provides a potential solution to initiate the material design process in a large space of composition and processing conditions. This framework can also be used in similar material systems or adapted for other material classes.Keywords Ni-based superalloy · Integrated computational materials engineering · Genetic algorithm · Material design

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Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited

Cited by 107 publications

References 44 publications

Continuum modelling of semiconductor heteroepitaxy: an applied perspective

Continuum modelling of semiconductor heteroepitaxy: an applied perspective

Review Article: Case studies in future trends of computational and experimental nanomechanics

A Computational Framework for Material Design

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