DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A predictive strain-gradient model with no undetermined constants or length scales

Abstract

A general meso–scale (GM) crystal plasticity (CP) model was developed that accounts for lower-order (strain hardening) and higher-order (internal stress) effects of geometrically necessary dislocations (GNDs). It is predictive: no arbitrary parameters or length scales were invoked and no ad hoc numerical techniques were employed. It uses general stress field equations for GND content and a novel harmonization technique to enforce consistency of elastic long-range singular defect fields with applied elastic-plastic fields. The model facilitates implementation in commercial finite element programs without requiring special elements, special boundary conditions, or access to element shape functions. GM simulations confirmed, with improved accuracy, previously published predictions of the Hall-Petch effect, Bauschinger effect, and anelasticity. Previously unpredicted phenomena were also predicted: anelasticity and hysteresis for single Ta crystals and strain-hardening stagnation. The internal stresses (higher-order effect) dominate at large length scales, while at small length scales, the GND density hardening (lower-order effect) dominates. As a result, GM predicts that strain heterogeneity and consequent GND internal stresses are important factors in anelasticity.

Authors:
 [1];  [2];  [3];  [3];  [2];  [4];  [5];  [6]; ORCiD logo [1]
  1. The Ohio State Univ., Columbus, OH (United States)
  2. Seoul National Univ. (Korea)
  3. Brigham Young Univ., Provo, UT (United States)
  4. Pusan National Univ., Busan (Korea)
  5. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  6. Washington State Univ., Pullman, WA (United States)
Publication Date:
Research Org.:
The Ohio State Univ., Columbus, OH (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1698022
Alternate Identifier(s):
OSTI ID: 1776117
Grant/Contract Number:  
SC0012483; SC0012587; NA0003525
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the Mechanics and Physics of Solids
Additional Journal Information:
Journal Volume: 145; Journal ID: ISSN 0022-5096
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Crystal Plasticity; Strain Gradient; GND; Stagnation; Anelasticity; Finite Element; Harmonization; Bauschinger effect; Ta

Citation Formats

Zhou, G., Jeong, W., Homer, E. R., Fullwood, D. T., Lee, M. G., Kim, J. H., Lim, H., Zbib, H., and Wagoner, R. H. A predictive strain-gradient model with no undetermined constants or length scales. United States: N. p., 2020. Web. doi:10.1016/j.jmps.2020.104178.
Zhou, G., Jeong, W., Homer, E. R., Fullwood, D. T., Lee, M. G., Kim, J. H., Lim, H., Zbib, H., & Wagoner, R. H. A predictive strain-gradient model with no undetermined constants or length scales. United States. https://doi.org/10.1016/j.jmps.2020.104178
Zhou, G., Jeong, W., Homer, E. R., Fullwood, D. T., Lee, M. G., Kim, J. H., Lim, H., Zbib, H., and Wagoner, R. H. Wed . "A predictive strain-gradient model with no undetermined constants or length scales". United States. https://doi.org/10.1016/j.jmps.2020.104178. https://www.osti.gov/servlets/purl/1698022.
@article{osti_1698022,
title = {A predictive strain-gradient model with no undetermined constants or length scales},
author = {Zhou, G. and Jeong, W. and Homer, E. R. and Fullwood, D. T. and Lee, M. G. and Kim, J. H. and Lim, H. and Zbib, H. and Wagoner, R. H.},
abstractNote = {A general meso–scale (GM) crystal plasticity (CP) model was developed that accounts for lower-order (strain hardening) and higher-order (internal stress) effects of geometrically necessary dislocations (GNDs). It is predictive: no arbitrary parameters or length scales were invoked and no ad hoc numerical techniques were employed. It uses general stress field equations for GND content and a novel harmonization technique to enforce consistency of elastic long-range singular defect fields with applied elastic-plastic fields. The model facilitates implementation in commercial finite element programs without requiring special elements, special boundary conditions, or access to element shape functions. GM simulations confirmed, with improved accuracy, previously published predictions of the Hall-Petch effect, Bauschinger effect, and anelasticity. Previously unpredicted phenomena were also predicted: anelasticity and hysteresis for single Ta crystals and strain-hardening stagnation. The internal stresses (higher-order effect) dominate at large length scales, while at small length scales, the GND density hardening (lower-order effect) dominates. As a result, GM predicts that strain heterogeneity and consequent GND internal stresses are important factors in anelasticity.},
doi = {10.1016/j.jmps.2020.104178},
journal = {Journal of the Mechanics and Physics of Solids},
number = ,
volume = 145,
place = {United States},
year = {Wed Oct 07 00:00:00 EDT 2020},
month = {Wed Oct 07 00:00:00 EDT 2020}
}

Works referenced in this record:

On the Microstructural Origin of Certain Inelastic Models
journal, October 1984

  • Aifantis, E. C.
  • Journal of Engineering Materials and Technology, Vol. 106, Issue 4
  • DOI: 10.1115/1.3225725

Quantification of dislocation structures from anelastic deformation behaviour
journal, August 2016


Overview no. 42 Texture development and strain hardening in rate dependent polycrystals
journal, June 1985


Latent hardening size effect in small-scale plasticity
journal, May 2013

  • Bardella, Lorenzo; Segurado, Javier; Panteghini, Andrea
  • Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 5
  • DOI: 10.1088/0965-0393/21/5/055009

A computational study of a model of single-crystal strain-gradient viscoplasticity with an interactive hardening relation
journal, August 2014

  • Bargmann, Swantje; Reddy, B. Daya; Klusemann, Benjamin
  • International Journal of Solids and Structures, Vol. 51, Issue 15-16
  • DOI: 10.1016/j.ijsolstr.2014.03.010

Incompatibility and a simple gradient theory of plasticity
journal, September 2001


A comparison of dislocation induced back stress formulations in strain gradient crystal plasticity
journal, November 2006

  • Bayley, C. J.; Brekelmans, W. A. M.; Geers, M. G. D.
  • International Journal of Solids and Structures, Vol. 43, Issue 24
  • DOI: 10.1016/j.ijsolstr.2006.05.011

A three-dimensional dislocation field crystal plasticity approach applied to miniaturized structures
journal, March 2007

  • Bayley¶, C. J.; Brekelmans, W. A. M.; Geers, M. G. D.
  • Philosophical Magazine, Vol. 87, Issue 8-9
  • DOI: 10.1080/14786430600965107

Experimental and finite element analysis on oscillating cold forming in consideration of nonlinear loading-unloading-reloading behavior
journal, December 2018


Dynamic explicit solution for higher-order crystal plasticity theories
journal, February 2014


An RVE procedure for micromechanical prediction of mechanical behavior of dual-phase steel
journal, May 2017


Gradient-dependent deformation of two-phase single crystals
journal, November 2000


An experimental statistical analysis of stress projection factors in BCC tantalum
journal, October 2013


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


A variational multiscale method to incorporate strain gradients in a phenomenological plasticity model
journal, December 2004

  • Creighton, S. L.; Regueiro, R. A.; Garikipati, K.
  • Computer Methods in Applied Mechanics and Engineering, Vol. 193, Issue 48-51
  • DOI: 10.1016/j.cma.2004.02.021

Variation and consistency of Young’s modulus in steel
journal, January 2016


The elastic–plastic transition of metals
journal, August 2016


Inelastic effects on springback in metals
journal, October 2002


Consistent determination of geometrically necessary dislocation density from simulations and experiments
journal, October 2018


On modeling micro-structural evolution using a higher order strain gradient continuum theory
journal, January 2016


Energetic dislocation interactions and thermodynamical aspects of strain gradient crystal plasticity theories
journal, November 2009

  • Ertürk, İ.; van Dommelen, J. A. W.; Geers, M. G. D.
  • Journal of the Mechanics and Physics of Solids, Vol. 57, Issue 11
  • DOI: 10.1016/j.jmps.2009.08.003

A critical assessment of theories of strain gradient plasticity
journal, March 2009


Non-local crystal plasticity model with intrinsic SSD and GND effects
journal, October 2004


Strain gradient plasticity: Theory and experiment
journal, February 1994


Mechanism of the Bauschinger effect in Al-Ge-Si alloys
journal, January 2017


Mechanism-based strain gradient plasticity? I. Theory
journal, April 1999


Taylor-based nonlocal theory of plasticity
journal, April 2001


Second-order crystal plasticity: internal stress effects and cyclic loading
journal, December 2006

  • Geers, M. G. D.; Brekelmans, W. A. M.; Bayley, C. J.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 15, Issue 1
  • DOI: 10.1088/0965-0393/15/1/S12

Local Ratcheting Phenomena in the Cyclic Behavior of Polycrystalline Tantalum
journal, June 2019


〈a〉 Prismatic, 〈a〉 basal, and 〈c+a〉 slip strengths of commercially pure Zr by micro-cantilever tests
journal, September 2015


A physically-based constitutive model for metal deformation
journal, November 1980


A gradient theory of single-crystal viscoplasticity that accounts for geometrically necessary dislocations
journal, January 2002


Boundary conditions in small-deformation, single-crystal plasticity that account for the Burgers vector
journal, January 2005


Gradient single-crystal plasticity with free energy dependent on dislocation densities
journal, September 2007

  • Gurtin, Morton E.; Anand, Lallit; Lele, Suvrat P.
  • Journal of the Mechanics and Physics of Solids, Vol. 55, Issue 9
  • DOI: 10.1016/j.jmps.2007.02.006

Gradient single-crystal plasticity within a Mises–Hill framework based on a new formulation of self- and latent-hardening
journal, August 2014


Mechanism-based strain gradient crystal plasticity—I. Theory
journal, May 2005

  • Han, Chung-Souk; Gao, Huajian; Huang, Yonggang
  • Journal of the Mechanics and Physics of Solids, Vol. 53, Issue 5
  • DOI: 10.1016/j.jmps.2004.08.008

Simulation of the Hall-Petch effect in FCC polycrystals by means of strain gradient crystal plasticity and FFT homogenization
journal, January 2020


“Region of constant flow stress” during compression of aluminium polycrystals prestrained by tension
journal, August 1974


Deformation behaviour and dislocation structures upon stress reversal in polycrystalline aluminium
journal, January 1975


Mechanism-based strain gradient plasticity—II. Analysis
journal, January 2000


Finite deformation analysis of mechanism-based strain gradient plasticity: torsion and crack tip field
journal, February 2003


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

Laws for Work-Hardening and Low-Temperature Creep
journal, January 1976

  • Kocks, U. F.
  • Journal of Engineering Materials and Technology, Vol. 98, Issue 1
  • DOI: 10.1115/1.3443340

Studies of scale dependent crystal viscoplasticity models
journal, September 2006

  • Kuroda, Mitsutoshi; Tvergaard, Viggo
  • Journal of the Mechanics and Physics of Solids, Vol. 54, Issue 9
  • DOI: 10.1016/j.jmps.2006.04.002

A finite deformation theory of higher-order gradient crystal plasticity
journal, August 2008

  • Kuroda, Mitsutoshi; Tvergaard, Viggo
  • Journal of the Mechanics and Physics of Solids, Vol. 56, Issue 8
  • DOI: 10.1016/j.jmps.2008.03.010

On the formulations of higher-order strain gradient crystal plasticity models
journal, April 2008


Nonuniform and localized deformation in single crystals under dynamic tensile loading
journal, April 2019


A new strategy to describe nonlinear elastic and asymmetric plastic behaviors with one yield surface
journal, November 2017


A dislocation density-based single crystal constitutive equation
journal, July 2010


Simulation of polycrystal deformation with grain and grain boundary effects
journal, September 2011


A Practical Meso-Scale Polycrystal Model to Predict Dislocation Densities and the Hall–Petch Effect
journal, January 2014


Grain-scale experimental validation of crystal plasticity finite element simulations of tantalum oligocrystals
journal, September 2014


Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations
journal, May 2016


Investigating active slip planes in tantalum under compressive load: Crystal plasticity and slip trace analyses of single crystals
journal, February 2020


Numerical study of the size-dependent deformation morphology in micropillar compressions by a dislocation-based crystal plasticity model
journal, December 2016


A dislocation dynamics based higher-order crystal plasticity model and applications on confined thin-film plasticity
journal, February 2011


Stress/strain gradient plasticity model for size effects in heterogeneous nano-microstructures
journal, October 2017


A comparison of Gurtin type and micropolar theories of generalized single crystal plasticity
journal, June 2014


Continuous distribution of moving dislocations
journal, May 1963


Computational strain gradient crystal plasticity
journal, January 2014

  • Niordson, Christian F.; Kysar, Jeffrey W.
  • Journal of the Mechanics and Physics of Solids, Vol. 62
  • DOI: 10.1016/j.jmps.2013.08.014

Indentation size effects in crystalline materials: A law for strain gradient plasticity
journal, March 1998


On the Finite Element implementation of higher-order gradient plasticity, with focus on theories based on plastic distortion incompatibility
journal, October 2016

  • Panteghini, Andrea; Bardella, Lorenzo
  • Computer Methods in Applied Mechanics and Engineering, Vol. 310
  • DOI: 10.1016/j.cma.2016.07.045

On the role of higher-order conditions in distortion gradient plasticity
journal, September 2018


On an implementation of the strain gradient plasticity with linear finite elements and reduced integration
journal, October 2012


An analysis of nonuniform and localized deformation in ductile single crystals
journal, June 1982


Modeling of surface effects in crystalline materials within the framework of gradient crystal plasticity
journal, March 2018

  • Peng, Xiang-Long; Husser, Edgar; Huang, Gan-Yun
  • Journal of the Mechanics and Physics of Solids, Vol. 112
  • DOI: 10.1016/j.jmps.2018.01.007

A physically based yield criterion I. Determination of the yield stress based on analysis of pre-yield dislocation behaviour
journal, April 2016


Finite element implementation of gradient plasticity models Part I: Gradient-dependent yield functions
journal, September 1998


Finite element approximation of field dislocation mechanics
journal, January 2005


Dislocation pile-up and grain boundary interactions in 304 stainless steel
journal, June 1986


Dislocation and grain boundary interactions in metals
journal, December 1988


Consistent tangent operators for rate-independent elastoplasticity
journal, February 1985


Complex unloading behavior: Nature of the deformation and its consistent constitutive representation
journal, July 2011


On the nonlinear anelastic behavior of AHSS
journal, October 2018


Sample Dimensions Influence Strength and Crystal Plasticity
journal, August 2004


Grain boundary interfacial plasticity with incorporation of internal structure and energy
journal, November 2015


Gradient plasticity theory with a variable length scale parameter
journal, July 2005


Strain gradient continuum plasticity theories: Theoretical, numerical and experimental investigations
journal, October 2019


Slip planes in bcc transition metals
journal, June 2013


Gradient crystal plasticity including dislocation-based work-hardening and dislocation transport
journal, June 2015


Stagnation of Strain Hardening During Reversed Straining of Prestrained Aluminium, Copper and Iron
journal, January 1985

  • Yakou, Takao; Hasegawa, Tadashi; Karashima, Seiichi
  • Transactions of the Japan Institute of Metals, Vol. 26, Issue 2
  • DOI: 10.2320/matertrans1960.26.88

BCC single crystal plasticity modeling and its experimental identification
journal, October 2008

  • Yalcinkaya, T.; Brekelmans, W. A. M.; Geers, M. G. D.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 16, Issue 8
  • DOI: 10.1088/0965-0393/16/8/085007

A comparison of a statistical-mechanics based plasticity model with discrete dislocation plasticity calculations
journal, February 2004

  • Yefimov, S.; Groma, I.; van der Giessen, E.
  • Journal of the Mechanics and Physics of Solids, Vol. 52, Issue 2
  • DOI: 10.1016/S0022-5096(03)00094-2

A model of large-strain cyclic plasticity describing the Bauschinger effect and workhardening stagnation
journal, October 2002


A model of large-strain cyclic plasticity and its application to springback simulation
journal, October 2003