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

Title: Mesoscale crystal plasticity modeling of nanoscale Al–Al2Cu eutectic alloy

Abstract

Nanolaminated composites composed of alternate metal and intermetallic or ceramic lamellae exhibit high strength, high strain hardening rate and measurable plasticity at ambient and elevated temperatures. Due to the difference in plastic deformation capability between the two phases, structural instability occurs in hard lamellae associated with buckling when a compression strain is applied parallel to the lamellae. Taking nanoscale Al–Al2Cu eutectic alloy as a model system, we develop a mesoscale crystal plasticity (CP) model based on the confined layer slip (CLS) mechanism (referred to as CLS-CP) to understand the buckling behavior of the nanolaminates. In the CLS-CP model, buckling in Al2Cu lamellae is constrained by the elastic-plastic deformation of Al lamellae. The critical resolved shear stress for dislocation slip in Al lamellae varies with layer thickness, estimated by the CLS mechanism. To capture the essential features of confined layer slip mechanism that dislocations propagate within the layer and are deposited at the interfaces, plastic deformation in each lamella is the same through the layer thickness. The variation of elastic deformation through the layer thickness is captured through dividing each Al lamella into three or more elements that have the same plastic deformation through the thickness. In comparison, we also conductmore » standard crystal plasticity modeling in which plastic deformation in the three elements through the layer thickness is calculated individually according to phenomenological power law. In these simulations, plasticity in Al2Cu lamellae is modeled with slips on {121} planes due to the slip continuity across the interface, which have been observed in our recent experiments. The CLS-CP model is able to predict mechanical properties of nano-scale lamellar materials. In contrast, the standard CP model is more suitable to study deformation behavior of sub-micro scale lamellar materials. In conclusion, the CLS-CP model calculations reveal that critical compression strain corresponding to buckling increases as layer thickness decreases, which agree with micro-pillar compression tests.« less

Authors:
 [1];  [1];  [2];  [2];  [1]
  1. Univ. of Nebraska, Lincoln, NE (United States)
  2. Univ. of Michigan, Ann Arbor, MI (United States)
Publication Date:
Research Org.:
Univ. of Michigan, Ann Arbor, MI (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC). Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1803087
Alternate Identifier(s):
OSTI ID: 1693610; OSTI ID: 2332782
Report Number(s):
LA-UR-19-29362
Journal ID: ISSN 0749-6419; PII: S0749641919303390
Grant/Contract Number:  
SC0016808; 89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
International Journal of Plasticity
Additional Journal Information:
Journal Volume: 121; Journal ID: ISSN 0749-6419
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; buckling; nanolaminates; Al–Al2Cu eutectic alloy; crystal plasticity

Citation Formats

Liu, Guisen, Xie, Dongyue, Wang, Shujuan, Misra, Amit, and Wang, Jian. Mesoscale crystal plasticity modeling of nanoscale Al–Al2Cu eutectic alloy. United States: N. p., 2019. Web. doi:10.1016/j.ijplas.2019.06.008.
Liu, Guisen, Xie, Dongyue, Wang, Shujuan, Misra, Amit, & Wang, Jian. Mesoscale crystal plasticity modeling of nanoscale Al–Al2Cu eutectic alloy. United States. https://doi.org/10.1016/j.ijplas.2019.06.008
Liu, Guisen, Xie, Dongyue, Wang, Shujuan, Misra, Amit, and Wang, Jian. Wed . "Mesoscale crystal plasticity modeling of nanoscale Al–Al2Cu eutectic alloy". United States. https://doi.org/10.1016/j.ijplas.2019.06.008. https://www.osti.gov/servlets/purl/1803087.
@article{osti_1803087,
title = {Mesoscale crystal plasticity modeling of nanoscale Al–Al2Cu eutectic alloy},
author = {Liu, Guisen and Xie, Dongyue and Wang, Shujuan and Misra, Amit and Wang, Jian},
abstractNote = {Nanolaminated composites composed of alternate metal and intermetallic or ceramic lamellae exhibit high strength, high strain hardening rate and measurable plasticity at ambient and elevated temperatures. Due to the difference in plastic deformation capability between the two phases, structural instability occurs in hard lamellae associated with buckling when a compression strain is applied parallel to the lamellae. Taking nanoscale Al–Al2Cu eutectic alloy as a model system, we develop a mesoscale crystal plasticity (CP) model based on the confined layer slip (CLS) mechanism (referred to as CLS-CP) to understand the buckling behavior of the nanolaminates. In the CLS-CP model, buckling in Al2Cu lamellae is constrained by the elastic-plastic deformation of Al lamellae. The critical resolved shear stress for dislocation slip in Al lamellae varies with layer thickness, estimated by the CLS mechanism. To capture the essential features of confined layer slip mechanism that dislocations propagate within the layer and are deposited at the interfaces, plastic deformation in each lamella is the same through the layer thickness. The variation of elastic deformation through the layer thickness is captured through dividing each Al lamella into three or more elements that have the same plastic deformation through the thickness. In comparison, we also conduct standard crystal plasticity modeling in which plastic deformation in the three elements through the layer thickness is calculated individually according to phenomenological power law. In these simulations, plasticity in Al2Cu lamellae is modeled with slips on {121} planes due to the slip continuity across the interface, which have been observed in our recent experiments. The CLS-CP model is able to predict mechanical properties of nano-scale lamellar materials. In contrast, the standard CP model is more suitable to study deformation behavior of sub-micro scale lamellar materials. In conclusion, the CLS-CP model calculations reveal that critical compression strain corresponding to buckling increases as layer thickness decreases, which agree with micro-pillar compression tests.},
doi = {10.1016/j.ijplas.2019.06.008},
journal = {International Journal of Plasticity},
number = ,
volume = 121,
place = {United States},
year = {Wed Jun 12 00:00:00 EDT 2019},
month = {Wed Jun 12 00:00:00 EDT 2019}
}

Works referenced in this record:

Energetic, structural and mechanical properties of terraced interfaces
journal, June 2019


A concurrent scheme for passing dislocations from atomistic to continuum domains
journal, February 2012


Slip transmission across fcc/bcc interfaces with varying interface shear strengths
journal, February 2012


The typical manners of dynamic crack propagation along the metal/ceramics interfaces: A molecular dynamics study
journal, February 2016


Dislocation Mean Free Paths and Strain Hardening of Crystals
journal, June 2008


Review: mechanical behavior of metal/ceramic interfaces in nanolayered composites—experiments and modeling
journal, November 2017


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


Three dimensional (3D) microstructure-based finite element modeling of Al-SiC nanolaminates using focused ion beam (FIB) tomography
journal, October 2016


Crystal plasticity modeling of 3rd generation multi-phase AHSS with martensitic transformation
journal, September 2019


Atomistic modeling of the interaction of glide dislocations with “weak” interfaces
journal, November 2008


Latent Hardening in Single Crystals II. Analytical Characterization and Predictions
journal, October 1991

  • Bassani, J. L.; Wu, T. -Y.
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 435, Issue 1893
  • DOI: 10.1098/rspa.1991.0128

Quantitative investigations on dislocation based discrete-continuous model of crystal plasticity at submicron scale
journal, June 2015


Work hardening in rolled nanolayered metallic composites
journal, January 2005


Mapping dislocation nucleation behavior from bimetal interfaces
journal, November 2013


A transmission electron microscopy study of the deformation behavior underneath nanoindents in nanoscale Al–TiN multilayered composites
journal, May 2010


A gradient plasticity creep model accounting for slip transfer/activation at interfaces evaluated for the intermetallic NiAl-9Mo
journal, February 2019


Characterization of the misfit dislocations at the ferrite/cementite interface in pearlitic steel: An atomistic simulation study
journal, August 2016


Anisotropy, size, and aspect ratio effects on micropillar compression of Al SiC nanolaminate composites
journal, August 2016


Alternative misfit dislocations pattern in semi-coherent FCC {100} interfaces
journal, February 2018


On dislocation storage and the mechanical response of fine scale microstructures
journal, June 1994


The stress–strain response of nanocrystalline metals: A quantized crystal plasticity approach
journal, February 2009


Single‐crystal elastic constants of Al 2 Cu
journal, June 1978

  • Eshelman, F. R.; Smith, J. F.
  • Journal of Applied Physics, Vol. 49, Issue 6
  • DOI: 10.1063/1.325278

Deformation mechanisms of ultra-thin Al layers in Al/SiC nanolaminates as a function of thickness and temperature
journal, August 2016


Hall-Petch relations for multilayered materials
journal, March 1995


Mechanical behavior of Cu/TiN multilayers at ambient and elevated temperatures: Stress-assisted diffusion of Cu
journal, January 2015

  • Raghavan, R.; Wheeler, J. M.; Esqué-de los Ojos, D.
  • Materials Science and Engineering: A, Vol. 620
  • DOI: 10.1016/j.msea.2014.10.023

Dislocation-Based Deformation Mechanisms in Metallic Nanolaminates
journal, February 1999


Length-scale-dependent deformation mechanisms in incoherent metallic multilayered composites
journal, October 2005


The coupled atomistic/discrete-dislocation method in 3d. Part III: Dynamics of hybrid dislocations
journal, September 2018

  • Cho, Jaehyun; Molinari, Jean-Francois; Curtin, William A.
  • Journal of the Mechanics and Physics of Solids, Vol. 118
  • DOI: 10.1016/j.jmps.2018.05.005

Indentation mechanics and fracture behavior of metal/ceramic nanolaminate composites
journal, July 2008


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


Slip transfer across grain and phase boundaries
journal, March 1990


Uniaxial deformation of face-centered-cubic(Ni)-ordered B2(NiAl) bicrystals: atomistic mechanisms near a Kurdjumov–Sachs interface
journal, December 2017

  • Choudhuri, D.; Banerjee, R.; Srinivasan, S. G.
  • Journal of Materials Science, Vol. 53, Issue 8
  • DOI: 10.1007/s10853-017-1937-1

Anisotropic deformation characteristics of an ultrafine- and nanolamellar pearlitic steel
journal, March 2016


Structures and Mechanical Properties of Al-Al2Cu Interfaces
journal, January 2019


Recent advances in modeling of interfaces and mechanical behavior of multilayer metallic/ceramic composites
journal, October 2017


Structural refinement and nanomechanical response of laser remelted Al-Al2Cu lamellar eutectic
journal, October 2017

  • Lei, Qian; Ramakrishnan, Bhupendera Prashanth; Wang, Shujuan
  • Materials Science and Engineering: A, Vol. 706
  • DOI: 10.1016/j.msea.2017.08.105

Circular dislocation pile-ups: I. Strength of ultra-fine polycrystalline aggregates
journal, May 1967


Dislocation mechanisms and symmetric slip in rolled nano-scale metallic multilayers
journal, May 2004


An overview of interface-dominated deformation mechanisms in metallic multilayers
journal, February 2011


Prediction of slip transfer mechanisms across grain boundaries
journal, May 1989


Modeling Interface-Dominated Mechanical Behavior of Nanolayered Crystalline Composites
journal, November 2013


Incorporating interface affected zones into crystal plasticity
journal, February 2015


Glide dislocation nucleation from dislocation nodes at semi-coherent {1 1 1} Cu–Ni interfaces
journal, October 2015


A hierarchical theoretical model for mechanical properties of lath martensitic steels
journal, December 2018


Characteristic orientation relationships in nanoscale Al-AlCu Eutectic
journal, August 2018


Coupled atomistic/discrete dislocation method in 3D Part II: Validation of the method
journal, October 2018

  • Hodapp, M.; Anciaux, G.; Molinari, J. -F.
  • Journal of the Mechanics and Physics of Solids, Vol. 119
  • DOI: 10.1016/j.jmps.2018.05.003

Atomistic simulations of the shear strength and sliding mechanisms of copper–niobium interfaces
journal, August 2008


Properties of Ti/TiC Interfaces from Molecular Dynamics Simulations
journal, June 2016

  • Liang, Tao; Ashton, Michael; Choudhary, Kamal
  • The Journal of Physical Chemistry C, Vol. 120, Issue 23
  • DOI: 10.1021/acs.jpcc.6b02763

Atomic-scale study of nucleation of dislocations from fcc–bcc interfaces
journal, April 2012


Relaxation, Structure, and Properties of Semicoherent Interfaces
journal, November 2015


Interface dislocation patterns and dislocation nucleation in face-centered-cubic and body-centered-cubic bicrystal interfaces
journal, February 2014


Effect of interfacial dislocation networks on the evolution of matrix dislocations in nickel-based superalloy
journal, November 2018


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


Molecular dynamics simulation of effects of interface imperfections and modulation periods on Cu/Ta multilayers
journal, February 2018


Deformation lines on Al2Cu single crystals after creep in compression
journal, July 1976


Micromechanics of Crystals and Polycrystals
book, January 1983


Constitutive analysis of elastic-plastic crystals at arbitrary strain
journal, December 1972


Evolution of cementite morphology in pearlitic steel wire during wet wire drawing
journal, January 2010


Plasticity of laser-processed nanoscale Al Al2Cu eutectic alloy
journal, September 2018


A multiscale model of plasticity
journal, September 2002


Room temperature deformation mechanisms of Mg/Nb nanolayered composites
journal, May 2018

  • Ardeljan, Milan; Knezevic, Marko; Jain, Manish
  • Journal of Materials Research, Vol. 33, Issue 10
  • DOI: 10.1557/jmr.2018.107

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


Micro-scale modeling of interface-dominated mechanical behavior
journal, October 2017


Dislocation mechanism based size-dependent crystal plasticity modeling and simulation of gradient nano-grained copper
journal, February 2019


In situ Nanoindentation Study of Plastic Co-deformation in Al-TiN Nanocomposites
journal, October 2014

  • Li, N.; Wang, H.; Misra, A.
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep06633

Strength and plasticity of nanolaminated materials
journal, July 2016


Atomistic study of fundamental character and motion of dislocations in intermetallic Al2Cu
journal, December 2016


Mesoscale models of interface mechanics in crystalline solids: a review
journal, October 2017


Scaling Theory of the Hall-Petch Relation for Multilayers
journal, September 1998