COUPLED COHESIVE ZONE REPRESENTATIONS FROM 3D QUASICONTINUUM SIMULATION ON BRITTLE GRAIN BOUNDARIES

2011 ◽  
Vol 9 (4) ◽  
pp. 481-501 ◽  
Author(s):  
Torsten Luther ◽  
Carsten Konke
Keyword(s):  
Grain Boundaries ◽  
Cohesive Zone

Molecular Dynamics Simulation Based Cohesive Zone Representation of Intergranular Fracture Processes in Bicrystalline Graphene

2020 ◽  
Author(s):  
MD Imrul Reza Shishir ◽  
Alireza Tabarraei
Keyword(s):  
Molecular Dynamics ◽  
Grain Boundaries ◽  
Cohesive Zone ◽  
Cohesive Zone Model ◽  
Dynamics Simulation ◽  
Zone Model ◽  
Zone Method ◽  
Simulation Based ◽  
Dynamics Simulations ◽  
Fracture Processes

Abstract The fracture properties of various grain boundaries in graphene are investigated using the cohesive zone method (CZM). Molecular dynamics simulations are conducted using REBO2+S potential in order to develop a cohesive zone model for graphene grain boundaries using a double cantilever bicrystalline graphene sheet. The cohesive zone model is used to investigate the traction–separation law to understand the separation-work and strength of grain boundaries.

Investigating the Rolling Contact Fatigue in Rails Using Finite Element Method and Cohesive Zone Approach

2018 ◽  
Author(s):  
Mohamad Ghodrati ◽  
Mehdi Ahmadian ◽  
Reza Mirzaeifar
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Grain Boundaries ◽  
Fatigue Damage ◽  
Cohesive Zone ◽  
Rolling Contact Fatigue ◽  
Contact Fatigue ◽  
Rolling Contact ◽  
Wheel Load ◽  
Element Method

A micromechanical-based 2D framework is presented to study the rolling contact fatigue (RCF) in rail steels using finite element method. In this framework, the contact patch of rail and wheel is studied by explicitly modeling the grains and grain boundaries, to investigate the potential origin of RCF at the microstructural level. The framework incorporates Voronoi tessellation algorithm to create the microstructure geometry of rail material, and uses cohesive zone approach to simulate the behavior of grain boundaries. To study the fatigue damage caused by cyclic moving of wheels on rail, Abaqus subroutines are employed to degrade the material by increasing the number of cycles, and Jiang-Sehitoglu fatigue damage law is employed as evolution law. By applying Hertzian moving cyclic load, instead of wheel load, the effect of traction ratio and temperature change on RCF initiation and growth are studied. By considering different traction ratios (0.0 to 0.5), it is shown that increasing traction ratio significantly increases the fatigue damage. Also by increasing traction ratio, crack initiation migrates from the rail subsurface to surface. The results also show that there are no significant changes in the growth of RCF at higher temperatures, but at lower temperatures there is a measurable increase in RCF growth. This finding correlates with anecdotal information available in the rail industry about the seasonality of RCF, in which some railroads report noticing more RCF damage during the colder months.

scholarly journals Prediction of fracture in grain boundaries of nano-coatings using cohesive zone elements

PAMM ◽  
2016 ◽  
Vol 16 (1) ◽  
pp. 163-164 ◽  
Author(s):  
Shahed Rezaei ◽  
Stephan Wulfinghoff ◽  
Stefanie Reese
Keyword(s):  
Grain Boundaries ◽  
Cohesive Zone ◽  
Cohesive Zone Elements

scholarly journals Modelling Hydrogen Embrittlement using Density Functional Theory: A theoretical approach to understanding environmentally assisted cracking in 7xxx series aluminium alloys

2020 ◽  
Vol 326 ◽  
pp. 04006
Author(s):  
Benjamin T. Wilson ◽  
Joseph D. Robson ◽  
Christopher P. Race
Keyword(s):  
Density Functional Theory ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
Cohesive Zone ◽  
Density Functional ◽  
Atomistic Simulations ◽  
Functional Theory ◽  
Minimal Impact ◽  
Symmetric Tilt ◽  
Environmentally Assisted Cracking

The effects of H segregation to a Σ11 symmetric tilt Al grain boundary are investigated using atomistic simulations, as part of a wider study on cracking in 7xxx series alloys. Density functional theory based simulations of uniaxial straining of grain boundaries containing 11 different concentrations of H were performed under the cohesive zone fracture mechanics framework. The theoretical strength of grain boundaries is shown to be supressed by H segregation, and the cause of this is attributed to the prevention of the formation of Al ligaments across grain boundaries. Segregated concentrations of relevant alloying elements (Zn, Mg, and Cu) show minimal impact on the H embrittlement process investigated, namely H enhanced decohesion (HEDE). Further modelling, of H transport and grain boundary precipitates, is required to confirm the validity of the HEDE mechanism in the case of 7xxx alloys.

scholarly journals Coupling a discrete twin model with cohesive elements to understand twin-induced fracture

2021 ◽  
Vol 227 (2) ◽  
pp. 173-192
Author(s):  
Nicolò Grilli ◽  
Edmund Tarleton ◽  
Alan C. F. Cocks
Keyword(s):  
Plastic Strain ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
Cohesive Zone ◽  
Cohesive Zone Model ◽  
Crack Nucleation ◽  
Zone Model ◽  
Cohesive Elements ◽  
Strain Concentration ◽  
Twin Model

Abstract The interplay between twinning and fracture in metals under deformation is an open question. The plastic strain concentration created by twin bands can induce large stresses on the grain boundaries. We present simulations in which a continuum model describing discrete twins is coupled with a crystal plasticity finite element model and a cohesive zone model for intergranular fracture. The discrete twin model can predict twin nucleation, propagation, growth and the correct twin thickness. Therefore, the plastic strain concentration in the twin band can be modelled. The cohesive zone model is based on a bilinear traction-separation law in which the damage is caused by the normal stress on the grain boundary. An algorithm is developed to generate interface elements at the grain boundaries that satisfy the traction-separation law. The model is calibrated by comparing polycrystal simulations with the experimentally observed strain to failure and maximum stress. The dynamics of twin and crack nucleation have been investigated. First, twins nucleate and propagate in a grain, then, microcracks form near the intersection between twin tips and grain boundaries. Microcracks appear at multiple locations before merging. A propagating crack can nucleate additional twins starting from the grain boundary, a few micrometres away from the original crack nucleation site. This model can be used to understand which type of texture is more resistant against crack nucleation and propagation in cast metals in which twinning is a deformation mechanism. The code is available online at https://github.com/TarletonGroup/CrystalPlasticity. Graphic Abstract

Morphology, Distribution and Identification of Micro-Constituents Along Grain Boundaries in Nickel-Base Alloys

1973 ◽  
Vol 31 ◽  
pp. 176-177
Author(s):  
D. E. Fornwalt ◽  
A. R. Geary ◽  
B. H. Kear
Keyword(s):  
Electron Microscope ◽  
Grain Boundaries ◽  
Volume Fraction ◽  
Rupture Life ◽  
Stress Rupture ◽  
High Volume ◽  
Precipitate Morphology ◽  
Stress Rupture Life ◽  
Nickel Base ◽  
Scanning Electron

A systematic study has been made of the effects of various heat treatments on the microstructures of several experimental high volume fraction γ’ precipitation hardened nickel-base alloys, after doping with ∼2 w/o Hf so as to improve the stress rupture life and ductility. The most significant microstructural chan§e brought about by prolonged aging at temperatures in the range 1600°-1900°F was the decoration of grain boundaries with precipitate particles.Precipitation along the grain boundaries was first detected by optical microscopy, but it was necessary to use the scanning electron microscope to reveal the details of the precipitate morphology. Figure 1(a) shows the grain boundary precipitates in relief, after partial dissolution of the surrounding γ + γ’ matrix.

Measurement of the Displacement Across a Coincidence Grain Boundary

1977 ◽  
Vol 35 ◽  
pp. 124-125
Author(s):  
J. W. Matthews ◽  
W. M. Stobbs
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Stacking Fault ◽  
The Other ◽  
Measuring Technique ◽  
High Angle ◽  
Twin Boundaries ◽  
Rigid Displacement ◽  
Cubic Crystals ◽  
Lattice Displacement

Many high-angle grain boundaries in cubic crystals are thought to be either coincidence boundaries (1) or coincidence boundaries to which grain boundary dislocations have been added (1,2). Calculations of the arrangement of atoms inside coincidence boundaries suggest that the coincidence lattice will usually not be continuous across a coincidence boundary (3). There will usually be a rigid displacement of the lattice on one side of the boundary relative to that on the other. This displacement gives rise to a stacking fault in the coincidence lattice.Recently, Pond (4) and Smith (5) have measured the lattice displacement at coincidence boundaries in aluminum. We have developed (6) an alternative to the measuring technique used by them, and have used it to find two of the three components of the displacement at {112} lateral twin boundaries in gold. This paper describes our method and presents a brief account of the results we have obtained.

Lattice Imaging of Grain Boundaries in Ceramics

1977 ◽  
Vol 35 ◽  
pp. 114-115
Author(s):  
D. R. Clarke ◽  
G. Thomas
Keyword(s):  
Mechanical Properties ◽  
High Temperature ◽  
Silicon Nitride ◽  
Grain Boundaries ◽  
High Temperature Strength ◽  
Current Interest ◽  
Lattice Imaging ◽  
Special Significance ◽  
Structural Applications ◽  
Refractory Ceramics

Grain boundaries have long held a special significance to ceramicists. In part, this has been because it has been impossible until now to actually observe the boundaries themselves. Just as important, however, is the fact that the grain boundaries and their environs have a determing influence on both the mechanisms by which powder compaction occurs during fabrication, and on the overall mechanical properties of the material. One area where the grain boundary plays a particularly important role is in the high temperature strength of hot-pressed ceramics. This is a subject of current interest as extensive efforts are being made to develop ceramics, such as silicon nitride alloys, for high temperature structural applications. In this presentation we describe how the techniques of lattice fringe imaging have made it possible to study the grain boundaries in a number of refractory ceramics, and illustrate some of the findings.

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