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

Title: Modelling intergranular and transgranular micro-cracking in polycrystalline materials

Journal Article · · Computer Methods in Applied Mechanics and Engineering
 [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Università degli Studi di Palermo (Italy); Harvard University, Cambridge, MA (United States)
  2. Harvard University, Cambridge, MA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
  3. Università degli Studi di Palermo (Italy)

Presented is a grain boundary formulation for intergranular and transgranular micro-cracking in three-dimensional polycrystalline aggregates.. The formulation is based on the displacement and stress boundary integral equations of solid mechanics and it has the advantage of expressing the polycrystalline problem in terms of grain boundary variables only. The individual grains within the polycrystalline morphology are modelled as generally anisotropic linear elastic domains with random spatial orientation. Transgranular micro-cracking is assumed to occur along specific cleavage planes, whose orientation in space within the grains depend upon the crystallographic lattice. Both intergranular and transgranular micro-cracking are modelled using suitably defined cohesive laws, whose parameters characterise the behaviour of the two mechanisms. The algorithm developed to track the inter/transgranular micro-cracking history is presented and discussed. Several numerical tests involving pseudo-3D and fully 3D morphologies are performed and analysed. The presented numerical results show that the developed formulation is capable of tracking the initiation and evolution of both intergranular and transgranular cracking as well as their competition, thus providing a useful tool for the study of damage micro-mechanics.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1526503
Journal Information:
Computer Methods in Applied Mechanics and Engineering, Journal Name: Computer Methods in Applied Mechanics and Engineering Journal Issue: C Vol. 329; ISSN 0045-7825
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (60)

Finite-deformation irreversible cohesive elements for three-dimensional crack-propagation analysis journal March 1999
Bounds for element size in a variable stiffness cohesive finite element model journal January 2004
A boundary cohesive grain element formulation for modelling intergranular microfracture in polycrystalline brittle materials journal January 2007
A fast dual boundary element method for 3D anisotropic crack problems: A FAST DUAL DBEM FOR 3D ANISOTROPIC CRACK PROBLEMS journal June 2009
Brittle fracture in polycrystalline microstructures with the extended finite element method: BRITTLE FRACTURE IN POLYCRYSTALLINE MICROSTRUCTURES WITH THE X-FEM
  • Sukumar, N.; Srolovitz, D. J.; Baker, T. J.
  • International Journal for Numerical Methods in Engineering, Vol. 56, Issue 14 https://doi.org/10.1002/nme.653
journal February 2003
Numerical simulations of dynamic crack growth along an interface journal December 1995
Periodic three-dimensional mesh generation for crystalline aggregates based on Voronoi tessellations journal October 2008
An enhanced grain-boundary framework for computational homogenization and micro-cracking simulations of polycrystalline materials journal August 2015
Multi-phase-field modeling of anisotropic crack propagation for polycrystalline materials journal April 2017
Matching-based preprocessing algorithms to the solution of saddle-point problems in large-scale nonconvex interior-point optimization journal February 2007
Numerical simulation of intergranular and transgranular crack propagation in ferroelectric polycrystals journal January 2012
An analysis of the influence of grain boundary strength on microstructure dependent fracture in polycrystalline tungsten journal February 2016
Coupled Crystal Plasticity–Phase Field Fracture Simulation Study on Damage Evolution Around a Void: Pore Shape Versus Crystallographic Orientation journal March 2017
Overview no. 5 journal October 1979
Computational modelling of impact damage in brittle materials journal August 1996
Effect of fibre debonding in a whisker-reinforced metal journal June 1990
Hydrogen-induced intergranular fracture of steels journal April 2001
A grain level model for the study of failure initiation and evolution in polycrystalline brittle materials. Part I: Theory and numerical implementation journal March 2003
A grain level model for the study of failure initiation and evolution in polycrystalline brittle materials. Part II: Numerical examples journal March 2003
Crack interaction with microstructure journal September 2007
A statistical investigation of the effects of grain boundary properties on transgranular fracture journal October 2008
Simulation of inter- and transgranular crack propagation in polycrystalline aggregates due to stress corrosion cracking journal August 2009
Overview of constitutive laws, kinematics, homogenization and multiscale methods in crystal plasticity finite-element modeling: Theory, experiments, applications journal February 2010
Three-dimensional simulation of crack propagation in ferroelectric polycrystals: Effect of combined toughening mechanisms journal February 2014
On the influence of transgranular and intergranular failure mechanisms during dynamic loading of silicon nitride journal April 2014
Dynamic crack propagation in a heterogeneous ceramic microstructure, insights from a cohesive model journal April 2015
TEM in situ observation of fracture behavior in ceramic materials journal February 2005
Multi-scale boundary element modelling of material degradation and fracture journal January 2007
Large-scale 3D random polycrystals for the finite element method: Generation, meshing and remeshing journal April 2011
A three-dimensional cohesive-frictional grain-boundary micromechanical model for intergranular degradation and failure in polycrystalline materials journal October 2013
A peridynamic material model for the analysis of dynamic crack propagation in orthotropic media journal July 2014
Multiscale modeling of polycrystalline materials: A boundary element approach to material degradation and fracture journal June 2015
Phase field modeling and simulation of coupled fracture and twinning in single crystals and polycrystals journal December 2016
Simulation of polycrystalline structure with Voronoi diagram in Laguerre geometry based on random closed packing of spheres journal March 2004
A three-dimensional grain boundary formulation for microstructural modeling of polycrystalline materials journal February 2013
Extended finite element modeling of crack propagation in ceramic tool materials by considering the microstructural features journal September 2013
Phase field modeling of directional fracture in anisotropic polycrystals journal February 2015
Intergranular stress corrosion cracking of copper in nitrite solutions journal September 2005
3D cellular automata simulations of intra and intergranular corrosion journal November 2016
Modelling inter- and transgranular fracture in piezoelectric polycrystals journal April 2009
Micromechanical boundary element modelling of transgranular and intergranular cohesive cracking in polycrystalline materials journal May 2017
A numerical modelling of 3D polycrystal-to-polycrystal diffusive phase transformations involving crystal plasticity journal June 2011
A grain boundary formulation for crystal plasticity journal August 2016
A fast 3D dual boundary element method based on hierarchical matrices journal April 2008
Fundamental solutions for general anisotropic multi-field materials based on spherical harmonics expansions journal December 2016
Elasto-viscoplastic phase field modelling of anisotropic cleavage fracture journal February 2017
Role of delamination and crystallography on anisotropy of Charpy toughness in API-X80 steel journal June 2012
Investigating the microstructural effect on elastic and fracture behavior of polycrystals using a nonlocal lattice particle model journal April 2015
Towards modeling intergranular stress corrosion cracks on grain size scales journal May 2012
VORO++ : A three-dimensional Voronoi cell library in C++ journal December 2009
Models to describe brittle and ductile fracture in ferritic steels journal November 2002
Fitting three-dimensional Laguerre tessellations to foam structures journal August 2008
Cleavage Anisotropy in Tungsten Single Crystals journal May 1996
Observations of Intergranular Stress Corrosion Cracking in a Grain-Mapped Polycrystal journal July 2008
On Large-Scale Diagonalization Techniques for the Anderson Model of Localization journal January 2008
Modelling Polycrystalline Materials: An Overview of Three-Dimensional Grain-Scale Mechanical Models journal March 2013
The role of cohesive zone properties on intergranular to transgranular fracture transition in polycrystalline solids journal November 2015
Computational Modelling of Fracture in Polycrystalline Materials journal March 2005
An examination of the linkage of cleavage cracks at grain boundaries journal November 2005
Nouvelles applications des paramètres continus à la théorie des formes quadratiques. Deuxième mémoire. Recherches sur les parallélloèdres primitifs. journal July 1908

Cited By (1)