Multiscale Simulation of Plasticity in bcc Metals

Thomas Hochrainer, D. Weygand, M. Mrovec, P. Gumbsch

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Annual Review of Materials Research
Volume 45, 1 July 2015, Pages 369-390
Multiscale Simulation of Plasticity in bcc Metals (Article)
Weygand, D.a , Mrovec, M.b, Hochrainer, T.c, Gumbsch, P.ab
a Institute for Applied Materials, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany
b Fraunhofer IWM, Freiburg, Germany
c Bremen Institute of Mechanical Engineering, University of Bremen, Bremen, Germany
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Abstract
Significant progress in our understanding of plasticity in body-centered cubic (bcc) metals during the last decade has enabled rigorous multiscale modeling based on quantitative physical principles. Significant advances have been made at the atomistic level in the understanding of dislocation core structures and energetics associated with dislocation glide by using high-fidelity models originating from quantum mechanical principles. These simulations revealed important details about the influence of non-Schmid (nonglide) stresses on the mobility of screw dislocations in bcc metals that could be implemented to mesoscopic discrete dislocation simulations with atomistically informed dislocation mobility laws. First applications of dislocation dynamics simulations to studies of plasticity in small-scale bcc single crystals have been performed. Dislocation dynamics simulations inspired the development of continuum models based on advanced 3D dislocation density measures with evolution equations that naturally track dislocation motion. These advances open new opportunities and perspectives for future quantitative and materials-specific multiscale simulation methods to describe plastic deformation in bcc metals and their alloys. Copyright © 2015 by Annual Reviews. All rights reserved.
Original languageEnglish
Pages (from-to)369-390
JournalAnnual Review of Materials Research
Volume45
DOIs
Publication statusPublished - 2015

Fingerprint

Plasticity
Metals
Screw dislocations
Computer simulation
Mechanical engineering
Dislocations (crystals)
Plastic deformation
Single crystals

Keywords

  • Atomistic modeling
  • Continuum theory
  • Dislocation
  • Dislocation dynamics
  • Plastic deformation
  • Single crystal

ASJC Scopus subject areas

  • Mechanics of Materials

Cite this

Multiscale Simulation of Plasticity in bcc Metals. / Hochrainer, Thomas; Weygand, D.; Mrovec, M.; Gumbsch, P.

In: Annual Review of Materials Research, Vol. 45, 2015, p. 369-390.

Research output: Contribution to journalArticleResearchpeer-review

Hochrainer, Thomas ; Weygand, D. ; Mrovec, M. ; Gumbsch, P. / Multiscale Simulation of Plasticity in bcc Metals. In: Annual Review of Materials Research. 2015 ; Vol. 45. pp. 369-390.
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abstract = "Export Download More...Annual Review of Materials ResearchVolume 45, 1 July 2015, Pages 369-390Multiscale Simulation of Plasticity in bcc Metals (Article)Weygand, D.a , Mrovec, M.b, Hochrainer, T.c, Gumbsch, P.aba Institute for Applied Materials, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany b Fraunhofer IWM, Freiburg, Germany c Bremen Institute of Mechanical Engineering, University of Bremen, Bremen, Germany View additional affiliationsView referencesAbstractSignificant progress in our understanding of plasticity in body-centered cubic (bcc) metals during the last decade has enabled rigorous multiscale modeling based on quantitative physical principles. Significant advances have been made at the atomistic level in the understanding of dislocation core structures and energetics associated with dislocation glide by using high-fidelity models originating from quantum mechanical principles. These simulations revealed important details about the influence of non-Schmid (nonglide) stresses on the mobility of screw dislocations in bcc metals that could be implemented to mesoscopic discrete dislocation simulations with atomistically informed dislocation mobility laws. First applications of dislocation dynamics simulations to studies of plasticity in small-scale bcc single crystals have been performed. Dislocation dynamics simulations inspired the development of continuum models based on advanced 3D dislocation density measures with evolution equations that naturally track dislocation motion. These advances open new opportunities and perspectives for future quantitative and materials-specific multiscale simulation methods to describe plastic deformation in bcc metals and their alloys. Copyright {\circledC} 2015 by Annual Reviews. All rights reserved.",
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N2 - Export Download More...Annual Review of Materials ResearchVolume 45, 1 July 2015, Pages 369-390Multiscale Simulation of Plasticity in bcc Metals (Article)Weygand, D.a , Mrovec, M.b, Hochrainer, T.c, Gumbsch, P.aba Institute for Applied Materials, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany b Fraunhofer IWM, Freiburg, Germany c Bremen Institute of Mechanical Engineering, University of Bremen, Bremen, Germany View additional affiliationsView referencesAbstractSignificant progress in our understanding of plasticity in body-centered cubic (bcc) metals during the last decade has enabled rigorous multiscale modeling based on quantitative physical principles. Significant advances have been made at the atomistic level in the understanding of dislocation core structures and energetics associated with dislocation glide by using high-fidelity models originating from quantum mechanical principles. These simulations revealed important details about the influence of non-Schmid (nonglide) stresses on the mobility of screw dislocations in bcc metals that could be implemented to mesoscopic discrete dislocation simulations with atomistically informed dislocation mobility laws. First applications of dislocation dynamics simulations to studies of plasticity in small-scale bcc single crystals have been performed. Dislocation dynamics simulations inspired the development of continuum models based on advanced 3D dislocation density measures with evolution equations that naturally track dislocation motion. These advances open new opportunities and perspectives for future quantitative and materials-specific multiscale simulation methods to describe plastic deformation in bcc metals and their alloys. Copyright © 2015 by Annual Reviews. All rights reserved.

AB - Export Download More...Annual Review of Materials ResearchVolume 45, 1 July 2015, Pages 369-390Multiscale Simulation of Plasticity in bcc Metals (Article)Weygand, D.a , Mrovec, M.b, Hochrainer, T.c, Gumbsch, P.aba Institute for Applied Materials, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany b Fraunhofer IWM, Freiburg, Germany c Bremen Institute of Mechanical Engineering, University of Bremen, Bremen, Germany View additional affiliationsView referencesAbstractSignificant progress in our understanding of plasticity in body-centered cubic (bcc) metals during the last decade has enabled rigorous multiscale modeling based on quantitative physical principles. Significant advances have been made at the atomistic level in the understanding of dislocation core structures and energetics associated with dislocation glide by using high-fidelity models originating from quantum mechanical principles. These simulations revealed important details about the influence of non-Schmid (nonglide) stresses on the mobility of screw dislocations in bcc metals that could be implemented to mesoscopic discrete dislocation simulations with atomistically informed dislocation mobility laws. First applications of dislocation dynamics simulations to studies of plasticity in small-scale bcc single crystals have been performed. Dislocation dynamics simulations inspired the development of continuum models based on advanced 3D dislocation density measures with evolution equations that naturally track dislocation motion. These advances open new opportunities and perspectives for future quantitative and materials-specific multiscale simulation methods to describe plastic deformation in bcc metals and their alloys. Copyright © 2015 by Annual Reviews. All rights reserved.

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