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Title: Modeling the effect of neighboring grains on twin growth in HCP polycrystals

Abstract

In this paper, we study the dependence of neighboring grain orientation on the local stress state around a deformation twin in a hexagonal close packed (HCP) crystal and its effects on the resistance against twin thickening. We use a recently developed, full-field elasto-visco-plastic formulation based on fast Fourier transforms that accounts for the twinning shear transformation imposed by the twin lamella. The study is applied to Mg, Zr and Ti, since these HCP metals tend to deform by activation of different types of slip modes. The analysis shows that the local stress along the twin boundary are strongly controlled by the relative orientation of the easiest deformation modes in the neighboring grain with respect to the twin lamella in the parent grain. A geometric expression that captures this parent-neighbor relationship is proposed and incorporated into a larger scale, mean-field visco-plastic self-consistent model to simulate the role of neighboring grain orientation on twin thickening. We demonstrate that the approach improves the prediction of twin area fraction distribution when compared with experimental observations.

Authors:
 [1];  [2];  [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Univ. of California, Santa Barbara, CA (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC). Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1406209
Report Number(s):
LA-UR-17-21482
Journal ID: ISSN 0965-0393
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Modelling and Simulation in Materials Science and Engineering
Additional Journal Information:
Journal Volume: 25; Journal Issue: 6; Journal ID: ISSN 0965-0393
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; deformation twinning; HCP metals; shear transformation; backstress; twin growth

Citation Formats

Kumar, M. Arul, Beyerlein, I. J., Lebensohn, R. A., and Tomé, C. N. Modeling the effect of neighboring grains on twin growth in HCP polycrystals. United States: N. p., 2017. Web. doi:10.1088/1361-651X/aa7bbb.
Kumar, M. Arul, Beyerlein, I. J., Lebensohn, R. A., & Tomé, C. N. Modeling the effect of neighboring grains on twin growth in HCP polycrystals. United States. https://doi.org/10.1088/1361-651X/aa7bbb
Kumar, M. Arul, Beyerlein, I. J., Lebensohn, R. A., and Tomé, C. N. Fri . "Modeling the effect of neighboring grains on twin growth in HCP polycrystals". United States. https://doi.org/10.1088/1361-651X/aa7bbb. https://www.osti.gov/servlets/purl/1406209.
@article{osti_1406209,
title = {Modeling the effect of neighboring grains on twin growth in HCP polycrystals},
author = {Kumar, M. Arul and Beyerlein, I. J. and Lebensohn, R. A. and Tomé, C. N.},
abstractNote = {In this paper, we study the dependence of neighboring grain orientation on the local stress state around a deformation twin in a hexagonal close packed (HCP) crystal and its effects on the resistance against twin thickening. We use a recently developed, full-field elasto-visco-plastic formulation based on fast Fourier transforms that accounts for the twinning shear transformation imposed by the twin lamella. The study is applied to Mg, Zr and Ti, since these HCP metals tend to deform by activation of different types of slip modes. The analysis shows that the local stress along the twin boundary are strongly controlled by the relative orientation of the easiest deformation modes in the neighboring grain with respect to the twin lamella in the parent grain. A geometric expression that captures this parent-neighbor relationship is proposed and incorporated into a larger scale, mean-field visco-plastic self-consistent model to simulate the role of neighboring grain orientation on twin thickening. We demonstrate that the approach improves the prediction of twin area fraction distribution when compared with experimental observations.},
doi = {10.1088/1361-651X/aa7bbb},
journal = {Modelling and Simulation in Materials Science and Engineering},
number = 6,
volume = 25,
place = {United States},
year = {Fri Aug 04 00:00:00 EDT 2017},
month = {Fri Aug 04 00:00:00 EDT 2017}
}

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Cited by: 37 works
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Works referenced in this record:

Effect of microstructure on the nucleation of deformation twins in polycrystalline high-purity magnesium: A multi-scale modeling study
journal, May 2011

  • Beyerlein, I. J.; McCabe, R. J.; Tomé, C. N.
  • Journal of the Mechanics and Physics of Solids, Vol. 59, Issue 5
  • DOI: 10.1016/j.jmps.2011.02.007

Numerical study of the stress state of a deformation twin in magnesium
journal, February 2015


Spatially resolved in situ strain measurements from an interior twinned grain in bulk polycrystalline AZ31 alloy
journal, June 2013


Elastic anisotropy and yield surface estimates of polycrystals
journal, August 2009


A finite element model of deformation twinning in zirconium
journal, January 2008

  • Zhang, Richard Y.; Daymond, Mark R.; Holt, Richard A.
  • Materials Science and Engineering: A, Vol. 473, Issue 1-2
  • DOI: 10.1016/j.msea.2007.04.021

Strain rate and temperature effects on the selection of primary and secondary slip and twinning systems in HCP Zr
journal, April 2015


Stochastic modeling of twin nucleation in polycrystals: An application in hexagonal close-packed metals
journal, May 2014

  • Niezgoda, Stephen R.; Kanjarla, Anand K.; Beyerlein, Irene J.
  • International Journal of Plasticity, Vol. 56
  • DOI: 10.1016/j.ijplas.2013.11.005

Strength and ductility with {10͞11} — {10͞12} double twinning in a magnesium alloy
journal, April 2016

  • Lentz, M.; Risse, M.; Schaefer, N.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11068

Twinning-Associated Boundaries in Hexagonal Close-Packed Metals
journal, November 2013


The role of strain accommodation during the variant selection of primary twins in magnesium
journal, March 2011


Reorientation and stress relaxation due to twinning: Modeling and experimental characterization for Mg
journal, June 2008


Twinning-induced dynamic recrystallization in a magnesium alloy extruded at 450°C
journal, November 2011


Characterization of basal-prismatic interface of twin in deformed titanium by high-resolution transmission electron microscopy
journal, March 2015


Assessment of residual stress fields at deformation twin tips and the surrounding environments
journal, February 2016


An elasto-viscoplastic formulation based on fast Fourier transforms for the prediction of micromechanical fields in polycrystalline materials
journal, May 2012

  • Lebensohn, Ricardo A.; Kanjarla, Anand K.; Eisenlohr, Philip
  • International Journal of Plasticity, Vol. 32-33
  • DOI: 10.1016/j.ijplas.2011.12.005

Relationship between fatigue crack initiation and activated twins in as-extruded pure magnesium
journal, November 2013


Influence of temperature and plastic relaxation on tensile twinning in a magnesium alloy
journal, October 2013


Toward understanding twin–twin interactions in hcp metals: Utilizing multiscale techniques to characterize deformation mechanisms in magnesium
journal, September 2014


In Situ Characterization of Twin Nucleation in Pure Ti Using 3D-XRD
journal, November 2013

  • Bieler, Thomas R.; Wang, Leyun; Beaudoin, Armand J.
  • Metallurgical and Materials Transactions A, Vol. 45, Issue 1
  • DOI: 10.1007/s11661-013-2082-3

Deformation twinning in h.c.p. metals and alloys
journal, May 1991


The crystallography and deformation modes of hexagonal close-packed metals
journal, January 1967


Direct numerical simulation of deformation twinning in polycrystals
journal, November 2016


The crystallography and deformation modes of hexagonal close-packed metals
journal, January 1967


Plastic relaxation of the internal stress induced by twinning
journal, December 2013


The determination of the elastic field of an ellipsoidal inclusion, and related problems
journal, August 1957

  • Eshelby, John Douglas
  • Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 241, Issue 1226, p. 376-396
  • DOI: 10.1098/rspa.1957.0133

Effects of texture, temperature and strain on the deformation modes of zirconium
journal, August 2006


Observations on the interaction of twins with grain boundaries in Mo-35 at.% Re alloy
journal, March 1973


Quantitative analysis of deformation twinning in zirconium
journal, March 2009

  • McCabe, Rodney J.; Proust, Gwénaëlle; Cerreta, Ellen K.
  • International Journal of Plasticity, Vol. 25, Issue 3
  • DOI: 10.1016/j.ijplas.2008.03.010

A phase-field model for incoherent martensitic transformations including plastic accommodation processes in the austenite
journal, October 2011

  • Kundin, J.; Raabe, D.; Emmerich, H.
  • Journal of the Mechanics and Physics of Solids, Vol. 59, Issue 10
  • DOI: 10.1016/j.jmps.2011.07.001

Experimental Characterization and Crystal Plasticity Modeling of Heterogeneous Deformation in Polycrystalline α-Ti
journal, June 2010

  • Wang, L.; Barabash, R. I.; Yang, Y.
  • Metallurgical and Materials Transactions A, Vol. 42, Issue 3
  • DOI: 10.1007/s11661-010-0249-8

Effect of local stress fields on twin characteristics in HCP metals
journal, September 2016


Strengthening and toughening of magnesium alloy by {10−12} extension twins
journal, January 2012


A probabilistic twin nucleation model for HCP polycrystalline metals
journal, March 2010

  • Beyerlein, I. J.; Tomé, C. N.
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 466, Issue 2121
  • DOI: 10.1098/rspa.2009.0661

Orientation image-based micromechanical modelling of subgrain texture evolution in polycrystalline copper
journal, September 2008


Estimating Critical Stresses Required for Twin Growth in a Magnesium Alloy
journal, December 2012

  • Barnett, Matthew; Setty, Mohan; Siska, Filip
  • Metallurgical and Materials Transactions A, Vol. 44, Issue 7
  • DOI: 10.1007/s11661-012-1573-y

Plastic deformation of zirconium single crystals
journal, July 1971


Statistical analyses of deformation twinning in magnesium
journal, May 2010


A spectral method solution to crystal elasto-viscoplasticity at finite strains
journal, July 2013


Initiation and accommodation of primary twins in high-purity titanium
journal, June 2014


Effect of twinning and dynamic recrystallization on the high strain rate rolling process
journal, November 2010


Grain neighbour effects on twin transmission in hexagonal close-packed materials
journal, December 2016

  • Arul Kumar, M.; Beyerlein, I. J.; McCabe, R. J.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms13826

On the deformation twinning of Mg AZ31B: A three-dimensional synchrotron X-ray diffraction experiment and crystal plasticity finite element model
journal, July 2015


Deformation twinning
journal, January 1995


Modeling texture, twinning and hardening evolution during deformation of hexagonal materials
journal, April 2007


Fatigue damage development in pure polycrystalline magnesium under cyclic tension–compression loading
journal, September 2011


Twin Nucleation by Slip Transfer across Grain Boundaries in Commercial Purity Titanium
journal, November 2009

  • Wang, L.; Yang, Y.; Eisenlohr, P.
  • Metallurgical and Materials Transactions A, Vol. 41, Issue 2
  • DOI: 10.1007/s11661-009-0097-6

Observations of the Atomic Structure of Tensile and Compressive Twin Boundaries and Twin–Twin Interactions in Zirconium
journal, August 2014

  • Morrow, Benjamin M.; McCabe, Rodney J.; Cerreta, Ellen K.
  • Metallurgical and Materials Transactions A, Vol. 45, Issue 13
  • DOI: 10.1007/s11661-014-2481-0

Accommodation around {101} twins in titanium
journal, October 1985


Disconnections and other defects associated with twin interfaces
journal, October 2016


Interfacial structure of { 1 0 1 2 } twin tip in deformed magnesium alloy
journal, November 2014


A dislocation-based constitutive law for pure Zr including temperature effects
journal, May 2008


A constitutive model of twinning and detwinning for hexagonal close packed polycrystals
journal, October 2012


Grain size constraints on twin expansion in hexagonal close packed crystals
journal, October 2016

  • Arul Kumar, M.; Beyerlein, I. J.; Tomé, C. N.
  • Journal of Applied Physics, Vol. 120, Issue 15
  • DOI: 10.1063/1.4965719

Nucleation and growth of twins in Zr: A statistical study
journal, December 2009


A crystal plasticity model for hexagonal close packed (HCP) crystals including twinning and de-twinning mechanisms
journal, October 2013


Dilatational viscoplasticity of polycrystalline solids with intergranular cavities
journal, August 2011


Slip, twinning, and fracture in hexagonal close-packed metals
journal, March 1981


Non-basal slip systems in HCP metals and alloys: source mechanisms
journal, December 2001


Influence of temperature and strain rate on slip and twinning behavior of zr
journal, October 1995

  • Song, S. G.; Gray, G. T.
  • Metallurgical and Materials Transactions A, Vol. 26, Issue 10
  • DOI: 10.1007/BF02669423

Evolution of stress in individual grains and twins in a magnesium alloy aggregate
journal, July 2009


A model for texture development dominated by deformation twinning: Application to zirconium alloys
journal, November 1991


Stochastic Processes of {1012} Deformation Twinning in Hexagonal Close-Packed Polycrystalline Zirconium and Magnesium
journal, January 2011

  • Beyerlein, Irene J.; McCabe, R. J.; Tome, C. N.
  • International Journal for Multiscale Computational Engineering, Vol. 9, Issue 4
  • DOI: 10.1615/IntJMultCompEng.v9.i4.80

A numerical method for computing the overall response of nonlinear composites with complex microstructure
journal, April 1998


N-site modeling of a 3D viscoplastic polycrystal using Fast Fourier Transform
journal, August 2001


The Elastic Constants of Anisotropic Materials
journal, July 1946


Single-Crystal Elastic Moduli and the hcp → bcc Transformation in Ti, Zr, and Hf
journal, July 1964


On the criteria for slip transmission across interfaces in polycrystals
journal, January 1992


A constitutive model for hcp materials deforming by slip and twinning
journal, October 2003


The crystallography and deformation modes of hexagonal close-packed metals
journal, January 1967


Works referencing / citing this record:

Mechanical Twinning is a Correlated Dynamic Process
journal, April 2019


A dislocation-based model for twin growth within and across grains
journal, February 2018

  • Lloyd, J. T.
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 474, Issue 2210
  • DOI: 10.1098/rspa.2017.0709