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Title: Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation

Abstract

This paper presents a multi-level crystal plasticity-based simulation framework for modeling mechanical response and microstructure evolution of Ti-6Al-4V with α-lath/lamellar microstructures. Here, the model is a correlated structure visco-plastic self-consistent (CS-VPSC) formulation linking three scales: a single crystals micro-scale, a lath/lamellar colony meso-scale, and a lath/lamellar aggregate macro-scale. A selected hardening law for the evolution of critical resolved shear stress per slip system used in CS-VPSC is phenomenological. However, it adjusts the resistances of basal and prismatic slip systems based on the geometry of slip transfer between adjacent lamellae. Consistent with experimental evidences, the resolved shear stress on the pyramidal slip planes is dependent not only on the stress in the direction of slip but also on the two orthogonal shear stress components and the three normal stress components (non-Schmid effects). Electron backscatter diffraction (EBSD) data in conjunction with a procedure relying on α→β phase transformation is used to construct paired variants of α-laths/lamellae satisfying their local crystallographic correlations. The procedure fits volume fractions of individual laths/lamellae with the experimental EBSD data and selects a distribution of habit planes between adjacent variants with respect to the loading direction. The simulation framework is applied to interpret the deformation behavior in tensionmore » and compression along two sample directions of Ti-6Al-4V fabricated via laser powder bed fusion. Moreover, the model is used to simulate texture evolution during rolling of the material to large strains. It is demonstrated that the model is capable of predicting plastic anisotropy/asymmetry and the concomitant texture evolution. While the model reveals a significant effect of habit plane inclination with respect to the loading direction on yield stress, the comparison of the data and model predictions shows that a random distribution of habit planes fits the flow response. It is further inferred that the tension-compression asymmetry arises from the non-Schmid effects.« less

Authors:
 [1];  [1]; ORCiD logo [1]; ORCiD logo [2];  [3];  [4];  [1]
  1. Univ. of New Hampshire, Durham, NH (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Army Research Lab., Adelphi, MD (United States)
  4. Air Force Research Lab. (AFRL), Wright-Patterson AFB, OH (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE; US Army Research Laboratory (USARL)
OSTI Identifier:
1835771
Report Number(s):
LA-UR-20-26185
Journal ID: ISSN 1359-6454
Grant/Contract Number:  
89233218CNA000001; W911NF-15-2-0084
Resource Type:
Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 203; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Microstructures; Lath/lamellar structures; Ti-6Al-4V; Crystal plasticity; Numerical algorithms

Citation Formats

Riyad, Iftekhar A., Feather, William G., Vasilev, Evgenii, Lebensohn, Ricardo A., McWilliams, Brandon A., Pilchak, Adam L., and Knezevic, Marko. Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation. United States: N. p., 2020. Web. doi:10.1016/j.actamat.2020.116502.
Riyad, Iftekhar A., Feather, William G., Vasilev, Evgenii, Lebensohn, Ricardo A., McWilliams, Brandon A., Pilchak, Adam L., & Knezevic, Marko. Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation. United States. https://doi.org/10.1016/j.actamat.2020.116502
Riyad, Iftekhar A., Feather, William G., Vasilev, Evgenii, Lebensohn, Ricardo A., McWilliams, Brandon A., Pilchak, Adam L., and Knezevic, Marko. Fri . "Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation". United States. https://doi.org/10.1016/j.actamat.2020.116502. https://www.osti.gov/servlets/purl/1835771.
@article{osti_1835771,
title = {Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation},
author = {Riyad, Iftekhar A. and Feather, William G. and Vasilev, Evgenii and Lebensohn, Ricardo A. and McWilliams, Brandon A. and Pilchak, Adam L. and Knezevic, Marko},
abstractNote = {This paper presents a multi-level crystal plasticity-based simulation framework for modeling mechanical response and microstructure evolution of Ti-6Al-4V with α-lath/lamellar microstructures. Here, the model is a correlated structure visco-plastic self-consistent (CS-VPSC) formulation linking three scales: a single crystals micro-scale, a lath/lamellar colony meso-scale, and a lath/lamellar aggregate macro-scale. A selected hardening law for the evolution of critical resolved shear stress per slip system used in CS-VPSC is phenomenological. However, it adjusts the resistances of basal and prismatic slip systems based on the geometry of slip transfer between adjacent lamellae. Consistent with experimental evidences, the resolved shear stress on the pyramidal slip planes is dependent not only on the stress in the direction of slip but also on the two orthogonal shear stress components and the three normal stress components (non-Schmid effects). Electron backscatter diffraction (EBSD) data in conjunction with a procedure relying on α→β phase transformation is used to construct paired variants of α-laths/lamellae satisfying their local crystallographic correlations. The procedure fits volume fractions of individual laths/lamellae with the experimental EBSD data and selects a distribution of habit planes between adjacent variants with respect to the loading direction. The simulation framework is applied to interpret the deformation behavior in tension and compression along two sample directions of Ti-6Al-4V fabricated via laser powder bed fusion. Moreover, the model is used to simulate texture evolution during rolling of the material to large strains. It is demonstrated that the model is capable of predicting plastic anisotropy/asymmetry and the concomitant texture evolution. While the model reveals a significant effect of habit plane inclination with respect to the loading direction on yield stress, the comparison of the data and model predictions shows that a random distribution of habit planes fits the flow response. It is further inferred that the tension-compression asymmetry arises from the non-Schmid effects.},
doi = {10.1016/j.actamat.2020.116502},
journal = {Acta Materialia},
number = ,
volume = 203,
place = {United States},
year = {Fri Nov 20 00:00:00 EST 2020},
month = {Fri Nov 20 00:00:00 EST 2020}
}

Works referenced in this record:

Effect of self-accommodation on α/α boundary populations in pure titanium
journal, May 2003


Application of microstructure sensitive design to structural components produced from hexagonal polycrystalline metals
journal, August 2008


A rationalization of stress-strain behavior of two-ductile phase alloys
journal, December 1986

  • Ankem, S.; Margolin, H.
  • Metallurgical Transactions A, Vol. 17, Issue 12
  • DOI: 10.1007/BF02645919

Oxygen effects on the mechanical properties and lattice strain of Ti and Ti-6Al-4V
journal, October 2011


Texture evolution in two-phase Zr/Nb lamellar composites during accumulative roll bonding
journal, June 2014


Anomalous Basal Slip Activity in Zirconium under High-strain Deformation
journal, September 2013


Optimization of VPSC Model Parameters for Two-Phase Titanium Alloys: Flow Stress Vs Orientation Distribution Function Metrics
journal, June 2018

  • Miller, V. M.; Semiatin, S. L.; Szczepanski, C.
  • Metallurgical and Materials Transactions A, Vol. 49, Issue 8
  • DOI: 10.1007/s11661-018-4716-y

Microstructure and Texture Evolution during Friction Stir Processing of Fully Lamellar Ti-6Al-4V
journal, November 2010

  • Pilchak, A. L.; Williams, J. C.
  • Metallurgical and Materials Transactions A, Vol. 42, Issue 3
  • DOI: 10.1007/s11661-010-0434-9

Incorporating grain-level residual stresses and validating a crystal plasticity model of a two-phase Ti-6Al-4 V alloy produced via additive manufacturing
journal, December 2018

  • Kapoor, Kartik; Yoo, Yung Suk Jeremy; Book, Todd A.
  • Journal of the Mechanics and Physics of Solids, Vol. 121
  • DOI: 10.1016/j.jmps.2018.07.025

Quantitative investigation of micro slip and localization in polycrystalline materials under uniaxial tension
journal, September 2018


Image-based crystal plasticity FE framework for microstructure dependent properties of Ti–6Al–4V alloys
journal, September 2012


Fast computation of first-order elastic–plastic closures for polycrystalline cubic-orthorhombic microstructures
journal, May 2007


Evaluation of the high temperature texture of the β phase of a TA6V sample from the individual orientations of grains of the low temperature α phase
journal, February 1994


Compatibility of deformation in two-phase Ti-Al alloys: Dependence on microstructure and orientation relationships
journal, July 1995

  • Luster, J.; Morris, M. A.
  • Metallurgical and Materials Transactions A, Vol. 26, Issue 7
  • DOI: 10.1007/BF02670762

〈c+a〉 Dislocations in deformed Ti–6Al–4V micro-cantilevers
journal, September 2014


The prospects for additive manufacturing of bulk TiAl alloy
journal, April 2016


Analysis of slip transfer and deformation behavior across the α/β interface in Ti–5Al–2.5Sn (wt.%) with an equiaxed microstructure
journal, August 2012

  • Seal, James R.; Crimp, Martin A.; Bieler, Thomas R.
  • Materials Science and Engineering: A, Vol. 552
  • DOI: 10.1016/j.msea.2012.04.114

Self-consistent modelling of the mechanical behaviour of viscoplastic polycrystals incorporating intragranular field fluctuations
journal, August 2007

  • Lebensohn, R. A.; Tomé, C. N.; CastaÑeda, P. Ponte
  • Philosophical Magazine, Vol. 87, Issue 28
  • DOI: 10.1080/14786430701432619

Slip band–grain boundary interactions in commercial-purity titanium
journal, September 2014


Coupled texture and non-Schmid effects on yield surfaces of body-centered cubic polycrystals predicted by a crystal plasticity finite element approach
journal, March 2017

  • Savage, Daniel J.; Beyerlein, Irene J.; Knezevic, Marko
  • International Journal of Solids and Structures, Vol. 109
  • DOI: 10.1016/j.ijsolstr.2017.01.003

Recent advances in modelling polycrystals with complex microstructures
journal, December 1997


Determining the strengths of HCP slip systems using harmonic analyses of lattice strain distributions
journal, February 2018


Progress in Additive Manufacturing
journal, February 2015


A finite element methodology to incorporate kinematic activation of discrete deformation twins in a crystal plasticity framework
journal, January 2020

  • Kasemer, Matthew; Dawson, Paul
  • Computer Methods in Applied Mechanics and Engineering, Vol. 358
  • DOI: 10.1016/j.cma.2019.112653

Anisotropic modeling of structural components using embedded crystal plasticity constructive laws within finite elements
journal, January 2016


Crystallographic variant selection in Ti–6Al–4V
journal, October 2004


Yield surfaces for textured polycrystals—I. Crystallographic approach
journal, February 1987


The Development of Deformation Textures as a Function of the Phase Fractions in Two-Phase Titanium-Based Alloys
journal, May 1994


Room temperature deformation and mechanisms of slip transmission in oriented single-colony crystals of an α/β titanium alloy
journal, February 1999


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

Crystallographic texture evolution in bulk deformation processing of FCC metals
journal, January 1992

  • Kalidindi, S. R.; Bronkhorst, C. A.; Anand, L.
  • Journal of the Mechanics and Physics of Solids, Vol. 40, Issue 3
  • DOI: 10.1016/0022-5096(92)80003-9

Enhancing tribological performance of Ti-6Al-4V by sliding process
journal, June 2018

  • Kumar, Deepak; Deepak, K. B.; Muzakkir, S. M.
  • Tribology - Materials, Surfaces & Interfaces, Vol. 12, Issue 3
  • DOI: 10.1080/17515831.2018.1482676

The role of heterogeneous deformation on damage nucleation at grain boundaries in single phase metals
journal, September 2009


The relation between macroscopic and microscopic strain hardening in F.C.C. polycrystals
journal, October 1984


Evidence of a Massive Transformation in a Ti-6Al-4V Solid-State Weld?
journal, March 2013


Grain size and orientation distributions: Application to yielding of α-titanium
journal, May 2009


Texture analysis with the new HIPPO TOF diffractometer
journal, December 2003

  • Wenk, H. -R.; Lutterotti, L.; Vogel, S.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 515, Issue 3
  • DOI: 10.1016/j.nima.2003.05.001

Investigation of the α- and β- texture evolution of hot rolled Ti-64 products
journal, November 1996


The influence of the alpha grain size on internal fatigue crack initiation in drawn Ti-6Al-4V wires
journal, January 2016


Stress-state dependence of slip in Titanium-6Al-4V and other H.C.P. metals
journal, June 1981


Effect of added ethanol in ethylene glycol–NaCl electrolyte on titanium electropolishing
journal, September 2015


A strain-rate and temperature dependent constitutive model for BCC metals incorporating non-Schmid effects: Application to tantalum–tungsten alloys
journal, November 2014


The effect of microstructure on very high cycle fatigue properties in Ti–6Al–4V
journal, July 2010


Additive manufacturing of Ti6Al4V alloy: A review
journal, February 2019


Formation and control of martensite in Ti-6Al-4V alloy produced by selective laser melting
journal, October 2016


Observation of tension–compression asymmetry in α and titanium alloys
journal, January 2005


Effects of build orientation and heat treatment on the evolution of microstructure and mechanical properties of alloy Mar-M-509 fabricated via laser powder bed fusion
journal, October 2019

  • Ferreri, Nicholas C.; Ghorbanpour, Saeede; Bhowmik, Shubhrodev
  • International Journal of Plasticity, Vol. 121
  • DOI: 10.1016/j.ijplas.2019.06.002

Pathways to Optimize Performance/Cost Ratio of Powder Metallurgy Titanium – A Perspective
journal, August 2012


Determining the orientation of parent β grain from one α variant in titanium alloys
journal, July 2018


Tension–compression asymmetry of c + a slip in Ti–6Al
journal, March 2020


An Overview of the Thermomechanical Processing of α/β Titanium Alloys: Current Status and Future Research Opportunities
journal, January 2020


Explicit incorporation of deformation twins into crystal plasticity finite element models
journal, October 2015

  • Ardeljan, Milan; McCabe, Rodney J.; Beyerlein, Irene J.
  • Computer Methods in Applied Mechanics and Engineering, Vol. 295
  • DOI: 10.1016/j.cma.2015.07.003

Texture strengthening and strength differential in titanium-6Al-4V
journal, March 1975

  • Lowden, M. A. W.; Hutchinson, W. B.
  • Metallurgical Transactions A, Vol. 6, Issue 3
  • DOI: 10.1007/BF02658401

A self consistent approach of the large deformation polycrystal viscoplasticity
journal, December 1987


Integration of self-consistent polycrystal plasticity with dislocation density based hardening laws within an implicit finite element framework: Application to low-symmetry metals
journal, October 2013

  • Knezevic, Marko; McCabe, Rodney J.; Lebensohn, Ricardo A.
  • Journal of the Mechanics and Physics of Solids, Vol. 61, Issue 10
  • DOI: 10.1016/j.jmps.2013.05.005

Computationally efficient database and spectral interpolation for fully plastic Taylor-type crystal plasticity calculations of face-centered cubic polycrystals
journal, July 2008

  • Knezevic, Marko; Kalidindi, Surya R.; Fullwood, David
  • International Journal of Plasticity, Vol. 24, Issue 7
  • DOI: 10.1016/j.ijplas.2007.12.002

Plastic flow of γ-TiAl-based polysynthetically twinned crystals: micromechanical modeling and experimental validation
journal, August 1998


Grain boundaries and interfaces in slip transfer
journal, August 2014

  • Bieler, T. R.; Eisenlohr, P.; Zhang, C.
  • Current Opinion in Solid State and Materials Science, Vol. 18, Issue 4
  • DOI: 10.1016/j.cossms.2014.05.003

Modeling discrete twin lamellae in a microstructural framework
journal, August 2016


Material-based design of the extrusion of bimetallic tubes
journal, December 2014


On slip initiation in equiaxed α/β Ti-6Al-4V
journal, September 2017


A method to determine the orientation of the high-temperature beta phase from measured EBSD data for the low-temperature alpha phase in Ti-6Al-4V
journal, April 2003


Modelling the temperature and texture effects on the deformation mechanisms of magnesium alloy AZ31
journal, September 2020


A dislocation density based crystal plasticity finite element model: Application to a two-phase polycrystalline HCP/BCC composites
journal, May 2014

  • Ardeljan, Milan; Beyerlein, Irene J.; Knezevic, Marko
  • Journal of the Mechanics and Physics of Solids, Vol. 66
  • DOI: 10.1016/j.jmps.2014.01.006

Modelling the role of local correlations in polycrystal plasticity using viscoplastic self-consistent schemes
journal, September 1999

  • Lebensohn, R.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 7, Issue 5
  • DOI: 10.1088/0965-0393/7/5/306

Review of Mechanical Properties of Ti-6Al-4V Made by Laser-Based Additive Manufacturing Using Powder Feedstock
journal, December 2015


Activity of pyramidal I and II slip in Mg alloys as revealed by texture development
journal, February 2018

  • Zecevic, Miroslav; Beyerlein, Irene J.; Knezevic, Marko
  • Journal of the Mechanics and Physics of Solids, Vol. 111
  • DOI: 10.1016/j.jmps.2017.11.004

Modeling bending of α-titanium with embedded polycrystal plasticity in implicit finite elements
journal, March 2013

  • Knezevic, Marko; Lebensohn, Ricardo A.; Cazacu, Oana
  • Materials Science and Engineering: A, Vol. 564
  • DOI: 10.1016/j.msea.2012.11.037

Texture formation in orthorhombic alpha-uranium under simple compression and rolling to high strains
journal, May 2016


Hydrogen-enabled microstructure and fatigue strength engineering of titanium alloys
journal, February 2017

  • Paramore, James D.; Fang, Zhigang Zak; Dunstan, Matthew
  • Scientific Reports, Vol. 7, Issue 1
  • DOI: 10.1038/srep41444