scholarly journals Misorientation dependence grain boundary complexions in symmetric tilt Al grain boundaries

2019 ◽  
Vol 181 ◽  
pp. 216-227 ◽  
Author(s):  
Prakash Parajuli ◽  
David Romeu ◽  
Viwanou Hounkpati ◽  
Rubén Mendoza-Cruz ◽  
Jun Chen ◽  
...  
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Symmetric Tilt ◽  
Grain Boundary Complexions

scholarly journals Segregation of P and S Impurities to A Σ9 Grain Boundary in Cu

Metals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 1362
Author(s):  
Cláudio M. Lousada ◽  
Pavel A. Korzhavyi
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Coordination Number ◽  
High Performance ◽  
Chemical Properties ◽  
Atomic Scale ◽  
Atomic Site ◽  
Segregation Energy ◽  
Physical Chemical ◽  
Symmetric Tilt

The segregation of P and S to grain boundaries (GBs) in fcc Cu has implications in diverse physical-chemical properties of the material and this can be of particular high relevance when the material is employed in high performance applications. Here, we studied the segregation of P and S to the symmetric tilt Σ9 (22¯1¯) [110], 38.9° GB of fcc Cu. This GB is characterized by a variety of segregation sites within and near the GB plane, with considerable differences in both atomic site volume and coordination number and geometry. We found that the segregation energies of P and S vary considerably both with distance from the GB plane and sites within the GB plane. The segregation energy is significantly large at the GB plane but drops to almost zero at a distance of only ≈3.5 Å from this. Additionally, for each impurity there are considerable variations in energy (up to 0.6 eV) between segregation sites in the GB plane. These variations have origins both in differences in coordination number and atomic site volume with the effect of coordination number dominating. For sites with the same coordination number, up to a certain atomic site volume, a larger atomic site volume leads to a stronger segregation. After that limit in volume has been reached, a larger volume leads to weaker segregation. The fact that the segregation energy varies with such magnitude within the Σ9 GB plane may have implications in the accumulation of these impurities at these GBs in the material. Because of this, atomic-scale variations of concentration of P and S are expected to occur at the Σ9 GB center and in other GBs with similar features.

scholarly journals Grain Boundary Sliding and Atomic Structures in Alumina Bicrystals with [0001] Symmetric Tilt Grain Boundaries

2002 ◽  
Vol 43 (7) ◽  
pp. 1561-1565 ◽  
Author(s):  
Tsuyoshi Watanabe ◽  
Hidehiro Yoshida ◽  
Yuichi Ikuhara ◽  
Taketo Sakuma ◽  
Hiroyuki Muto ◽  
...  
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Grain Boundary Sliding ◽  
Atomic Structures ◽  
Symmetric Tilt ◽  
Boundary Sliding

Phenomenology of shear-coupled grain boundary motion in symmetric tilt and general grain boundaries

2013 ◽  
Vol 61 (4) ◽  
pp. 1048-1060 ◽  
Author(s):  
Eric R. Homer ◽  
Stephen M. Foiles ◽  
Elizabeth A. Holm ◽  
David L. Olmsted
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Boundary Motion ◽  
Symmetric Tilt ◽  
Grain Boundary Motion

Characterization of structural units in tilt grain boundaries

1992 ◽  
Vol 50 (1) ◽  
pp. 120-121
Author(s):  
Stuart McKernan ◽  
C. Barry Carter
Keyword(s):  
High Resolution ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
High Resolution Electron Microscopy ◽  
Boundary Structure ◽  
Structural Units ◽  
Symmetric Tilt ◽  
Resolution Electron ◽  
Special Cases ◽  
High Resolution Electron Microscope

General tilt grain boundaries can be viewed in terms of small structural units of varying complexity. High-resolution electron microscope (HREM) images of these boundaries in many materials show this repetitive similarity of the atomic structure at the boundary plane. The structure of particular grain boundaries has been examined for several special cases and commonly observed configurations include symmetric tilt grain boundaries and asymmetric tilt grain boundaries with one grain having a prominent, low-index facet. Several different configurations of the boundary structure may possibly occur, even in the same grain boundary. There are thus many possible ways to assemble the basic structural units to form a grain boundary. These structural units and their distribution have traditionally been examined by high-resolution electron microscopy. The images of the projection of the atomic columns (or the tunnels between atomic columns) providing a template for constructing “ball-and-stick ” models of the interface.

Oxygen Diffusion along Symmetric [0001] Tilt Grain Boundaries in α-Alumina

2006 ◽  
Vol 317-318 ◽  
pp. 415-418 ◽  
Author(s):  
Tsubasa Nakagawa ◽  
Isao Sakaguchi ◽  
Katsuyuki Matsunaga ◽  
Takahisa Yamamoto ◽  
Hajime Haneda ◽  
...  
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Oxygen Diffusion ◽  
Isotopic Exchange ◽  
Boundary Diffusion ◽  
Depth Profiling ◽  
Grain Boundary Diffusion ◽  
Symmetric Tilt ◽  
And Diffusion ◽  
Diffusion Properties

Grain boundary diffusion coefficients of oxygen (δDgb) at 1793K in high purity α-alumina bicrystals with Σ7{2 _ ,310}/[0001] and Σ31{7 _ ,1140}/[0001] symmetric tilt grain boundaries were measured by means of the isotopic exchange and diffusion depth profiling using SIMS. δDgb of both grain boundaries were determined to be 7.1x10-24 [m3/sec] for Σ7 grain boundary and 5.3 x10-24 [m3/sec] for Σ31 grain boundary, respectively. These results indicate that Σ values do not directly relate to grain boundary diffusion properties.

Atomistic Simulations of [001] Symmetric Tilt Boundaries in Ni3Al

1986 ◽  
Vol 81 ◽  
Author(s):  
S. P. Chen ◽  
A. F. Voter ◽  
D. J. Srolovitz
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Simulation Study ◽  
Atomistic Simulation ◽  
Atomistic Simulations ◽  
Boundary Composition ◽  
Symmetric Tilt ◽  
Tilt Boundaries ◽  
Cohesive Energies

AbstractWe report a systematic atomistic simulation study of [001] symmetric tilt grain boundaries (GB) in Ni3Al, Ni, and Al. We found that the grain boundary energies and cohesive energies of Ni3Al and pure fcc Ni are approximately thesame. Grain boundary energies aid cohesive energies in Ni3Al depends stronglyon the grain boundary composition. The Al-rich boundaries have highest grain boundary energies and lowest cohesive energies. This offers an explanation for the stoichiometric effect on the boron ductilization

Grain Boundary Mechanics – Influence of Mechanical Stress Fields on Grain Boundaries

2004 ◽  
Vol 819 ◽  
Author(s):  
Myrjam Winning
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Mechanical Stress ◽  
Rotation Axis ◽  
Temperature Deformation ◽  
High Angle ◽  
Symmetric Tilt ◽  
In Situ Experiments ◽  
Grain Boundary Motion

AbstractThe reaction of grain boundaries to mechanical stresses is reviewed. Results of in-situ experiments on planar, symmetric tilt grain boundaries with different tilt axes (<112>, <111> and <100>) as well as twist grain boundaries with <100> rotation axis will be presented. It was found that the motion of planar grain boundaries can be induced by an imposed external stress irrespective of the angle of misorientation i.e. irrespective whether the grain boundary was a low or high angle grain boundary. The observed activation enthalpies of the stress induced grain boundary motion allow conclusions on the migration mechanism. The motion of planar low and high angle grain boundaries under the influence of a mechanical stress field can be attributed to the movement of the grain boundary dislocations which comprise the structure of the boundary. A sharp transition between low and high angle grain boundaries was observed for different tilt axes. The fact that boundaries can also be moved by mechanical forces sheds new light on microstructure evolution during elevated temperature deformation.

scholarly journals Molecular dynamics investigation on tilt grain boundary energies of beta-titanium and tungsten at high temperature

2021 ◽  
Author(s):  
Hong He ◽  
Shangyi Ma ◽  
Shaoqing Wang
Keyword(s):  
High Temperature ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
Dynamic Simulations ◽  
Beta Titanium ◽  
Symmetric Tilt ◽  
Higher Temperature ◽  
Lattice Misorientation ◽  
The Relationship ◽  
Variation Trends

Abstract The grain boundary energies (GBEs) of symmetric tilt grain boundaries (STGBs) and asymmetric tilt grain boundaries (ATGBs) for W at 0 and 2400 K and β-Ti at 1300 K were calculated by means of Molecular static method and Molecular dynamic simulations to investigate the effects of high temperature and grain boundary (GB) planes on the GBE. Generally, the variation trends of GBEs functioned with tilt angle are similar in the three cases when the tilt axis is specified. It is of course that these similarities result from their similar GB microstructures in most cases. However, the variation trends of β-Ti at 1300 K are somewhat different from that of W at 2400 K for STGBs with <100> and <110> tilt axes. This difference mainly stems from the following two reasons: firstly, the GB microstructures of W at 2400 K and β-Ti at 1300 K are different for some STGBs; secondly, the atoms at STGB of β-Ti at 1300 K tend to evolve into the local ω- or α-like structures distributed at STGBs, which make the corresponding STGBs more stable, thereby decreasing the GBEs. Furthermore, a geometric parameter θ, an angle between misorientation axis and GB plane, was defined to explore the effects of GB planes on GBEs. It was found that the relationship between GBEs and sin(θ) can be described by some simple functions of sin(θ) for the GBs with definite lattice misorientation, which can well explain and predict the preferred GB planes for the GBs with specific lattice misorientation. Our calculations not only extend the investigation of GBs to higher temperature, but also deepen the understanding on the temperature contribution to the microstructure evolution at GBs and on the relationship between GBE and possible geometric parameters.

High-resolution imaging of symmetric tilt and mixed character boundaries in Al

1990 ◽  
Vol 48 (4) ◽  
pp. 336-337
Author(s):  
M. Shamzuzzoha ◽  
P.A. Deymier ◽  
David J. Smith
Keyword(s):  
High Resolution ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
Thin Foil ◽  
Polycrystalline Materials ◽  
Voltage Electron ◽  
Symmetric Tilt ◽  
Resolution Electron ◽  
Resolution Imaging ◽  
Electron Microscopes

The determination of the core structure of grain boundaries is central to a better understanding of the properties of polycrystalline materials. With the recent advent of intermediate-voltage electron microscopes (300-400kV), it is possible to obtain atomic-resolution images of grain boundaries in many metals - for example, the atomic structure of periodic grain boundaries in selected metals has been studied. Our knowledge of materials properties can be further enhanced by investigating more complex, arbitrarily misoriented grain boundaries. In this paper, we will report HREM imaging of a symmetric tilt low-angle grain boundary and a twist-and-tilt (mixed character) grain boundary in Al.The Al bicrystals used in this study were produced by cross-rolling and annealing methods described in detail elsewhere. Thin foil specimens of 3mm diameter containing specific boundaries were obtained by spark-cutting and subsequent electropolishing in 73% methanol, 25% nitric acid and 2% hydrochloric acid. HREM was performed with a JEM-4000EX operated at 400kV, using axial illumination and without an objective aperture. High-resolution electron micrographs were recorded near the optimum defocus, typically at a magnification of 500,000 times.

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