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Title: Analytic model of dislocation density evolution in fcc polycrystals accounting for dislocation generation, storage, and dynamic recovery mechanisms

Journal Article · · International Journal of Plasticity

Here, an analytic model of the evolution of dislocation density in fcc polycrystals is described. The evolution equations approximately account for most known dislocation storage, dynamic recovery, and dislocation generation mechanisms in fcc polycrystals. Specifically, the model incorporates network (forest) and grain boundary storage, mobile-network and mobile–mobile annihilation, screw–screw annihilation via athermal and thermal single cross-slip, generation by double cross-slip (Koehler mechanism, including dipole formation), Frank-Read sources, grain boundary nucleation, and mobile–immobile dislocation nucleation due to shock loading. Single cross-slip is assumed to proceed through the Friedel–Escaig (FE) mechanism; the corresponding activation energy is calculated using a modified FE model. The activation energy for double cross-slip is calculated for the first time by extending the FE model. The exact evolution equations are integro-differential equations, and as such are difficult to implement in a code; hence, the evolution equations are simplified by making several approximations. Preliminary results on copper are presented, including comparisons to experimental data.

Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
89233218CNA000001
OSTI ID:
1865027
Report Number(s):
LA-UR-21-28568
Journal Information:
International Journal of Plasticity, Journal Name: International Journal of Plasticity Vol. 151; ISSN 0749-6419
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (138)

Slip, twinning, and fracture in hexagonal close-packed metals journal March 1981
In-situ TEM straining experiments of Al films on polyimide using a novel FIB design for specimen preparation journal July 2006
A review of slip transfer: applications of mesoscale techniques journal December 2017
Recent Progress in Discrete Dislocation Dynamics and Its Applications to Micro Plasticity journal September 2014
Multi-megabar Dynamic Strength Measurements of Ta, Au, Pt, and Ir journal August 2020
Dynamic Strength of Copper at High Pressures Using Pressure Shear Plate Experiments journal January 2021
Some geometrical relations in dislocated crystals journal March 1953
Cross slip of extended dislocations journal February 1959
On internal stresses due to a quasiuniform distribution of dislocations journal August 1967
Experimental and theoretical observations on the relationship between dislocation cell size, dislocation density, residual hardness, peak pressure and pulse duration in shock-loaded nickel journal May 1978
Deformation mechanisms in h.c.p. metals at elevated temperatures—I. Creep behavior of magnesium journal December 1981
The strain and grain size dependence of the flow stress of copper journal February 1982
A constitutive description of the deformation of copper based on the use of the mechanical threshold stress as an internal state variable journal January 1988
A study of cross-slip activation parameters in pure copper journal August 1988
A simple approach to extrapolating measured polycrystalline shear moduli to very high pressure journal July 1975
Inelastic microstructural failure mechanisms in crystalline materials with high angle grain boundaries journal November 1996
On the kinetics of a Frank-Read source journal December 1979
A model of the shear modulus journal January 1992
Calculation of cross-slip parameters in f.c.c. crystals journal May 1993
Nonconvex energy minimization and dislocation structures in ductile single crystals journal February 1999
Models for dislocation cross-slip in close-packed crystal structures: a critical review journal January 2002
Physics and phenomenology of strain hardening: the FCC case journal January 2003
Explicit expressions for stress field of a circular dislocation loop journal June 2000
Shear testing of a sheet steel at wide range of strain rates and a constitutive relation with strain-rate and temperature dependence of the flow stress journal January 2001
Work hardening in heterogeneous alloys—a microstructural approach based on three internal state variables journal November 2000
Phase field methods and dislocations journal January 2003
Some critical experiments on the strain-rate sensitivity of nanocrystalline nickel journal October 2003
Simulation of Frank-Read sources in silicon journal June 1997
Flow stress of f.c.c. polycrystals with application to OFHC Cu journal January 1998
Geometrically necessary dislocations and strain-gradient plasticity: a few critical issues journal January 2003
A constitutive model for fcc single crystals based on dislocation densities and its application to uniaxial compression of aluminium single crystals journal July 2004
Mechanical properties of micro-sized copper bending beams machined by the focused ion beam technique journal September 2005
Strength, strain-rate sensitivity and ductility of copper with nanoscale twins journal December 2006
A generalized Peierls–Nabarro model for curved dislocations and core structures of dislocation loops in Al and Cu journal April 2008
Modeling dislocation storage rates and mean free paths in face-centered cubic crystals journal December 2008
Dynamic recovery and its orientation dependence in face-centered cubic crystals journal May 2009
Detwinning mechanisms for growth twins in face-centered cubic metals journal April 2010
Detwinning, damage and crack initiation during cyclic loading of Cu samples containing aligned nanotwins journal June 2011
Dislocation density evolution and interactions in crystalline materials journal December 2011
Evolution of dislocation density distributions in copper during tensile deformation journal November 2013
Ab initio modeling of dislocation core properties in metals and semiconductors journal February 2017
First-principles prediction of the stacking fault energy of gold at finite temperature journal August 2017
The microstructural origin of work hardening stages journal April 2018
The effects of temperature and strain rate in fcc and bcc metals during extreme deformation rates journal June 2018
Strength, plasticity, thermal stability and strain rate sensitivity of nanograined nickel with amorphous ceramic grain boundaries journal June 2021
Identification of crystal plasticity model parameters by multi-objective optimization integrating microstructural evolution and mechanical data journal June 2021
Improvement of nonlocal Peierls-Nabarro models journal April 2017
Dislocation interactions with grain boundaries journal August 2014
Micro-scale fatigue mechanisms in metals: Insights gained from small-scale experiments and discrete dislocation dynamics simulations journal October 2019
Discrete dislocation plasticity analysis of the grain size dependence of the flow strength of polycrystals journal December 2008
A plastic constitutive equation incorporating strain, strain-rate, and temperature journal December 2010
A dislocation-based constitutive model for viscoplastic deformation of fcc metals at very high strain rates journal January 2011
Parameterization of a rate-dependent model of shock-induced plasticity for copper, nickel, and aluminum journal May 2012
Constitutive modelling of plasticity of fcc metals under extremely high strain rates journal May 2012
Variable strain rate sensitivity in an aluminum alloy: Response and constitutive modeling journal September 2012
Theoretical and numerical investigations of single arm dislocation source controlled plastic flow in FCC micropillars journal April 2014
Simulation of shock wave propagation in single crystal and polycrystalline aluminum journal September 2014
Analytic model of the remobilization of pinned glide dislocations from quasi-static to high strain rates journal July 2015
A link between microstructure evolution and macroscopic response in elasto-plasticity: Formulation and numerical approximation of the higher-dimensional continuum dislocation dynamics theory journal September 2015
Coupling continuum dislocation transport with crystal plasticity for application to shock loading conditions journal January 2016
Is stored energy density the primary meso-scale mechanistic driver for fatigue crack nucleation? journal February 2018
State parameter-based constitutive modelling of stress strain curves in Al-Mg solid solutions journal April 2018
Modelling of shock waves in fcc and bcc metals using a combined continuum and dislocation kinetic approach journal June 2018
Consistent determination of geometrically necessary dislocation density from simulations and experiments journal October 2018
Shock wave compression behavior and dislocation density evolution in Al microstructures at the atomic scales and the mesoscales journal May 2020
Analytic model of the remobilization of pinned glide dislocations: Including dislocation drag from phonon wind journal August 2020
Dynamic crystal plasticity modeling of single crystal tantalum and validation using Taylor cylinder impact tests journal April 2021
A non-local methodology for geometrically necessary dislocations and application to crack tips journal May 2021
A FFT-based formulation for discrete dislocation dynamics in heterogeneous media journal February 2018
Atomistically determined phase-field modeling of dislocation dissociation, stacking fault formation, dislocation slip, and reactions in fcc systems journal April 2015
The role of partial mediated slip during quasi-static deformation of 3D nanocrystalline metals journal May 2015
Three-dimensional phase-field model of dislocations for a heterogeneous face-centered cubic crystal journal August 2017
Theoretical development of continuum dislocation dynamics for finite-deformation crystal plasticity at the mesoscale journal June 2020
Phase field dislocation dynamics (PFDD) modeling of non-Schmid behavior in BCC metals informed by atomistic simulations journal July 2021
Mechanism transition of cross slip with stress and temperature in face-centered cubic metals journal November 2020
Analytic model of the Grüneisen parameter all densities journal August 2004
Shear modulus at all pressures: Generalized Guinan–Steinberg formula journal September 2006
A dislocation-based constitutive description for modeling the behavior of FCC metals within wide ranges of strain rate and temperature journal December 2011
Dislocation cross-slip controlled creep in Zircaloy-4 at high stresses journal January 2015
Slip localization and fatigue crack nucleation near a non-metallic inclusion in polycrystalline nickel-based superalloy journal August 2015
Dislocation density and mechanical threshold stress in OFHC copper subjected to SHPB loading and plate impact journal May 2017
Opposite grain size dependence of strain rate sensitivity of copper at low vs high strain rates journal December 2018
A review on the strain rate dependency of the dynamic viscoplastic response of FCC metals journal July 2017
A new hardness formula incorporating the effect of source density on indentation response: A discrete dislocation plasticity analysis journal September 2019
In situ observation of dislocation nucleation and escape in a submicrometre aluminium single crystal journal January 2009
Direct observation of dislocation plasticity in high-Mn lightweight steel by in-situ TEM journal October 2019
Sur le glissement dévié des dislocations dans la structure cubique à faces centrées journal January 1968
Some aspects of cross-slip mechanisms in metals and alloys journal January 1989
On the symmetrical role of cross-slip of screw dislocations and climb of edge dislocations as recovery processes controlling high-temperature creep journal January 1976
Model of plastic deformation for extreme loading conditions journal January 2003
Pileups of elliptical dislocation loops in a hexagonal crystal journal August 1972
Dislocation Multiplication in Lithium Fluoride Crystals journal April 1960
Intersection Cross slip journal October 1965
A constitutive model for metals applicable at high‐strain rate journal March 1980
Dislocation‐mechanics‐based constitutive relations for material dynamics calculations journal March 1987
The core structure of dislocations and their relationship to the material γ-surface journal April 2014
Bayesian calibration of strength parameters using hydrocode simulations of symmetric impact shock experiments of Al-5083 journal November 2018
Annihilation of dislocations during tensile and cyclic deformation and limits of dislocation densities journal December 1979
The generalized Peierls–Nabarro model journal June 1994
Mechanism of the Koehler dislocation multiplication process journal August 1997
Grain size effect on strain-rate dependence of mechanical properties of polycrystalline copper journal June 2019
Atomistic simulations of cross-slip of jogged screw dislocations in copper journal March 2001
Accumulation of geometrically necessary dislocations near grain boundaries in deformed copper journal November 2012
Modeling dislocations and heat conduction in crystalline materials: atomistic/continuum coupling approaches journal June 2018
Inhibited dynamic recovery and screw dislocation annihilation in multiple slip of fcc single crystals journal September 2006
Spontaneous athermal cross-slip nucleation at screw dislocation intersections in FCC metals and L1 2 intermetallics investigated via atomistic simulations journal August 2013
Dislocation drag from phonon wind in an isotropic crystal at large velocities journal December 2019
III. Dislocation densities in some annealed and cold-worked metals from measurements on the X-ray debye-scherrer spectrum journal January 1956
The deformation of plastically non-homogeneous materials journal February 1970
In-situ observation of dislocation dynamics near heterostructured interfaces journal May 2019
The importance of cross-slip in high-rate deformation journal September 2007
Numerical implementation of a crystal plasticity model with dislocation transport for high strain rate applications journal April 2016
Discrete dislocation plasticity: a simple planar model journal September 1995
Frank-Read sources within a continuum simulation journal July 1999
Orientation dependence of shock induced dislocations in tantalum single crystals journal June 2014
Understanding dislocation mechanics at the mesoscale using phase field dislocation dynamics
  • Beyerlein, I. J.; Hunter, A.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 374, Issue 2066 https://doi.org/10.1098/rsta.2015.0166
journal April 2016
The Nature of Work-Hardening journal April 1952
Nature of the process of overdriven shocks in metals journal November 1981
Simulations of the atomic structure, energetics, and cross slip of screw dislocations in copper journal August 1997
Analytic model of the shear modulus at all temperatures and densities journal March 2003
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni journal December 2018
Twinning and Dislocation Evolution during Shock Compression and Release of Single Crystals: Real-Time X-Ray Diffraction journal June 2018
Extreme Hardening of Pb at High Pressure and Strain Rate journal November 2019
Fractal Dislocation Patterning During Plastic Deformation journal September 1998
Stochastic Problems in Physics and Astronomy journal January 1943
Reaction-rate theory: fifty years after Kramers journal April 1990
Dislocation density in copper and tantalum subjected to shock compression depending on loading parameters and original microstructure journal May 2013
Frontiers in the Simulation of Dislocations journal July 2020
Material dynamics under extreme conditions of pressure and strain rate journal April 2006
Notizen: Bestrahlungsfehlordnung und Diffusionsvorgänge in Edelmetallen journal March 1955
Über die Reaktionsgeschwindigkeit bei der Inversion von Rohrzucker durch Säuren journal January 1889
Atomistic modeling of nanoscale plasticity in high-entropy alloys journal March 2019
Elastic interaction-induced anisotropic growth of dislocation loop arrays journal August 2021
Unusual plasticity and strength of metals at ultra-short load durations journal May 2017
Computational Modeling of Dislocation Slip Mechanisms in Crystal Plasticity: A Short Review journal January 2021
Crystal Plasticity Simulation of Magnesium and Its Alloys: A Review of Recent Advances journal April 2021
First Principles Investigation on Thermodynamic Properties and Stacking Fault Energy of Paramagnetic Nickel at High Temperatures journal February 2020
A Review of the Stages of Work Hardening journal September 1993