Effect of grain boundary misorientation on the apparent diffusivity in nanocrystalline aluminum by atomistic simulation study

2018 ◽  
Vol 124 (3) ◽  
pp. 035102 ◽  
Author(s):  
Roghayeh Mohammadzadeh ◽  
Mina Mohammadzadeh
Keyword(s):  
Grain Boundary ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Boundary Misorientation ◽  
Grain Boundary Misorientation ◽  
Nanocrystalline Aluminum

An atomistic simulation study of nanoscale sintering: The role of grain boundary misorientation

2019 ◽  
Vol 165 ◽  
pp. 180-189 ◽  
Author(s):  
Jesse M. Sestito ◽  
Fadi Abdeljawad ◽  
Tequila A.L. Harris ◽  
Yan Wang ◽  
Allen Roach
Keyword(s):  
Grain Boundary ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Boundary Misorientation ◽  
Grain Boundary Misorientation

Measurement of solute segregation to grain boundaries in the AEM: A review

1988 ◽  
Vol 46 ◽  
pp. 606-607
Author(s):  
D. B. Williams ◽  
A. D. Romig
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Boundary Migration ◽  
Grain Boundary Migration ◽  
Boundary Misorientation ◽  
Collector Plate ◽  
Segregation Process ◽  
Grain Boundary Misorientation ◽  
Structure Boundary ◽  
Equilibrium Segregation

The segregation of solute or imparity elements to grain boundaries can occur by three well-defined processes. The first is Gibbsian segregation in which an element of minimal matrix solubility confines itself to a monolayer at the grain boundary. Classical examples include Bi in Cu and S or P in Fe. The second process involves the depletion of excess matrix solute by volume diffusion to the boundary. In the boundary, the solute atoms diffuse rapidly to precipitates, causing them to grow by the ‘collector-plate mechanism.’ Such grain boundary diffusion is thought to initiate “Diffusion-Induced Grain Boundary Migration,” (DIGM). This process has been proposed as the origin of eutectoid transformations or discontinuous grain boundary reactions. The third segregation process is non-equilibrium segregation which result in a solute build-up around the boundary because of solute-vacancy interactions.All of these segregation phenomena usually occur on a sub-micron scale and are often affected by the nature of the grain boundary (misorientation, defect structure, boundary plane).

scholarly journals The Effects of Grain Boundary Misorientation on the Mechanical Properties and Mechanism of Plastic Deformation of Ni/Ni3Al: A Molecular Dynamics Study

Materials ◽  
2020 ◽  
Vol 13 (24) ◽  
pp. 5715
Author(s):  
Jun Ding ◽  
Sheng-Lai Zhang ◽  
Quan Tong ◽  
Lu-Sheng Wang ◽  
Xia Huang ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Grain Boundary ◽  
Misorientation Angle ◽  
Interfacial Energy ◽  
Stacking Faults ◽  
Boundary Misorientation ◽  
Grain Boundary Misorientation ◽  
Mechanisms Of Plastic Deformation

The effects of grain boundary misorientation angle (θ) on mechanical properties and the mechanism of plastic deformation of the Ni/Ni3Al interface under tensile loading were investigated using molecular dynamics simulations. The results show that the space lattice arrangement at the interface is dependent on grain boundary misorientations, while the interfacial energy is dependent on the arrangement. The interfacial energy varies in a W pattern as the grain boundary misorientation increases from 0° to 90°. Specifically, the interfacial energy first decreases and then increases in both segments of 0–60° and 60–90°. The yield strength, elastic modulus, and mean flow stress decrease as the interfacial energy increases. The mechanism of plastic deformation varies as the grain boundary misorientation angle (θ) increases from 0° to 90°. When θ = 0°, the microscopic plastic deformation mechanisms of the Ni and Ni3Al layers are both dominated by stacking faults induced by Shockley dislocations. When θ = 30°, 60°, and 80°, the mechanisms of plastic deformation of the Ni and Ni3Al layers are the decomposition of stacking faults into twin grain boundaries caused by extended dislocations and the proliferation of stacking faults, respectively. When θ = 90°, the mechanisms of plastic deformation of both the Ni and Ni3Al layers are dominated by twinning area growth resulting from extended dislocations.

Excess energy of grain-boundary trijunctions: an atomistic simulation study

1999 ◽  
Vol 47 (9) ◽  
pp. 2821-2829 ◽  
Author(s):  
S.G. Srinivasan ◽  
J.W. Cahn ◽  
H. Jónsson ◽  
G. Kalonji
Keyword(s):  
Grain Boundary ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Excess Energy
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