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Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates

Research output: Contribution to journalArticlepeer-review

Standard

Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates. / Galvis Rodriguez, Andres Felipe; Santos-Flórez, Pedro A.; Sollero, Paulo; de Koning, Maurice; Wrobel, Luiz C.

In: Computer Methods in Applied Mechanics and Engineering, Vol. 362, 112868, 15.04.2020.

Research output: Contribution to journalArticlepeer-review

Harvard

Galvis Rodriguez, AF, Santos-Flórez, PA, Sollero, P, de Koning, M & Wrobel, LC 2020, 'Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates', Computer Methods in Applied Mechanics and Engineering, vol. 362, 112868. https://doi.org/10.1016/j.cma.2020.112868

APA

Galvis Rodriguez, A. F., Santos-Flórez, P. A., Sollero, P., de Koning, M., & Wrobel, L. C. (2020). Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates. Computer Methods in Applied Mechanics and Engineering, 362, [112868]. https://doi.org/10.1016/j.cma.2020.112868

Vancouver

Galvis Rodriguez AF, Santos-Flórez PA, Sollero P, de Koning M, Wrobel LC. Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates. Computer Methods in Applied Mechanics and Engineering. 2020 Apr 15;362. 112868. https://doi.org/10.1016/j.cma.2020.112868

Author

Galvis Rodriguez, Andres Felipe ; Santos-Flórez, Pedro A. ; Sollero, Paulo ; de Koning, Maurice ; Wrobel, Luiz C. / Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates. In: Computer Methods in Applied Mechanics and Engineering. 2020 ; Vol. 362.

Bibtex

@article{03e9d409a4a24ed1a6eedf8cc180dfa6,
title = "Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates",
abstract = "A multiscale approach to investigate the influence of the grain boundary (GB) lattice structures on the dynamic intergranular failure in 3D polycrystalline materials is proposed. The model comprises the meso- and atomistic scales using the boundary element method (BEM) and molecular dynamics (MD), respectively. At the mesoscale, stochastic grain morphologies, random crystalline orientations and initial defects are included in the physical model. Moreover, a dynamic high-rate load is imposed to produce dynamic stress and strain waves propagating throughout the polycrystal, inducing the material to be susceptible to fail. The intergranular failure is governed by the critical energy density for shear and cleavage modes, evaluated from a set of nano GBs at the atomistic scale. The novelty is the assessment of the energy density considering its dependency on the interface lattice, leading to a group of failure criteria distributed along the aggregate. The difference in the order of magnitude between these length scales is a challenge for the transition multiscale model. Hence, an asymptotic scaling methodology is adapted for bridging the mechanical strength. Finally, it is worth noting that the level of detail of this criterion, is a remarkable enhancement over other intergranular failure models.",
keywords = "Boundary element method, Dynamic failure, Energy density, Molecular dynamics, Multiscale",
author = "{Galvis Rodriguez}, {Andres Felipe} and Santos-Fl{\'o}rez, {Pedro A.} and Paulo Sollero and {de Koning}, Maurice and Wrobel, {Luiz C.}",
year = "2020",
month = apr,
day = "15",
doi = "10.1016/j.cma.2020.112868",
language = "English",
volume = "362",
journal = "Computer Methods in Applied Mechanics and Engineering",
issn = "0045-7825",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates

AU - Galvis Rodriguez, Andres Felipe

AU - Santos-Flórez, Pedro A.

AU - Sollero, Paulo

AU - de Koning, Maurice

AU - Wrobel, Luiz C.

PY - 2020/4/15

Y1 - 2020/4/15

N2 - A multiscale approach to investigate the influence of the grain boundary (GB) lattice structures on the dynamic intergranular failure in 3D polycrystalline materials is proposed. The model comprises the meso- and atomistic scales using the boundary element method (BEM) and molecular dynamics (MD), respectively. At the mesoscale, stochastic grain morphologies, random crystalline orientations and initial defects are included in the physical model. Moreover, a dynamic high-rate load is imposed to produce dynamic stress and strain waves propagating throughout the polycrystal, inducing the material to be susceptible to fail. The intergranular failure is governed by the critical energy density for shear and cleavage modes, evaluated from a set of nano GBs at the atomistic scale. The novelty is the assessment of the energy density considering its dependency on the interface lattice, leading to a group of failure criteria distributed along the aggregate. The difference in the order of magnitude between these length scales is a challenge for the transition multiscale model. Hence, an asymptotic scaling methodology is adapted for bridging the mechanical strength. Finally, it is worth noting that the level of detail of this criterion, is a remarkable enhancement over other intergranular failure models.

AB - A multiscale approach to investigate the influence of the grain boundary (GB) lattice structures on the dynamic intergranular failure in 3D polycrystalline materials is proposed. The model comprises the meso- and atomistic scales using the boundary element method (BEM) and molecular dynamics (MD), respectively. At the mesoscale, stochastic grain morphologies, random crystalline orientations and initial defects are included in the physical model. Moreover, a dynamic high-rate load is imposed to produce dynamic stress and strain waves propagating throughout the polycrystal, inducing the material to be susceptible to fail. The intergranular failure is governed by the critical energy density for shear and cleavage modes, evaluated from a set of nano GBs at the atomistic scale. The novelty is the assessment of the energy density considering its dependency on the interface lattice, leading to a group of failure criteria distributed along the aggregate. The difference in the order of magnitude between these length scales is a challenge for the transition multiscale model. Hence, an asymptotic scaling methodology is adapted for bridging the mechanical strength. Finally, it is worth noting that the level of detail of this criterion, is a remarkable enhancement over other intergranular failure models.

KW - Boundary element method

KW - Dynamic failure

KW - Energy density

KW - Molecular dynamics

KW - Multiscale

UR - http://www.scopus.com/inward/record.url?scp=85078534458&partnerID=8YFLogxK

U2 - 10.1016/j.cma.2020.112868

DO - 10.1016/j.cma.2020.112868

M3 - Article

AN - SCOPUS:85078534458

VL - 362

JO - Computer Methods in Applied Mechanics and Engineering

JF - Computer Methods in Applied Mechanics and Engineering

SN - 0045-7825

M1 - 112868

ER -

ID: 21701076