Diffusion Mechanisms near Tilt Grain Boundaries in Ni3Al Intermetallide

Author(s):  
Mikhail D. Starostenkov ◽  
Dmitry V. Sinyaev ◽  
Roman Y. Rakitin ◽  
Gennady M. Poletaev
2020 ◽  
Vol 10 (1) ◽  
Author(s):  
M. Klimenkov ◽  
P. Vladimirov ◽  
U. Jäntsch ◽  
V. Kuksenko ◽  
R. Rolli ◽  
...  

Abstract The microstructural response of beryllium after neutron irradiation at various temperatures (643–923 K) was systematically studied using analytical transmission electron microscope that together with outcomes from advanced atomistic modelling provides new insights in the mechanisms of microstructural changes in this material. The most prominent feature of microstructural modification is the formation of gas bubbles, which is revealed at all studied irradiation temperatures. Except for the lowest irradiation temperature, gas bubbles have the shape of thin hexagonal prisms with average height and diameter increasing with temperature. A high number density of small bubbles is observed within grains, while significantly larger bubbles are formed along high-angle grain boundaries (GB). Denuded zones (DZ) nearly free from bubbles are found along both high- and low-angle grain boundaries. Precipitations of secondary phases (mainly intermetallic Al-Fe-Be) were observed inside grains, along dislocation lines and at GBs. EDX analysis has revealed homogeneous segregation of chromium and iron along GBs. The observed features are discussed with respect to the available atomistic modelling results. In particular, we present a plausible reasoning for the abundant formation of gas bubbles on intermetallic precipitates, observation of various thickness of zones denuded in gas bubbles and precipitates, and their relation to the atomic scale diffusion mechanisms of solute-vacancy clusters.


2000 ◽  
Vol 62 (6) ◽  
pp. 3658-3673 ◽  
Author(s):  
Mads R. Sørensen ◽  
Yuri Mishin ◽  
Arthur F. Voter

2008 ◽  
Vol 139 ◽  
pp. 89-94 ◽  
Author(s):  
Mikhail D. Starostenkov ◽  
Dmitry V. Sinyaev ◽  
Roman Y. Rakitin ◽  
Gennady M. Poletaev

The paper is devoted to the research of diffusion mechanism in Ni3Al intermetallide over grain boundaries of tilt <111> and <100> by the method of molecular dynamics. It was found that grain boundary diffusion represented the combination of three main mechanisms: migration of atoms along the nuclei of grain boundary dislocations, cyclic mechanism near the nuclei and the formation of the chain of displaced atoms from one nucleus of dislocation to the nucleus of the other one. Diffusion mobility of Ni atoms was essentially bigger than the mobility of Al atoms. Grain boundary slipping and intergrain slipping were also observed during the deformation of the bicrystal.


1998 ◽  
Vol 516 ◽  
Author(s):  
C. - L. Liu ◽  
X.-Y. Liu ◽  
L. J. Borucki

AbstractWe describe a newly-developed defect generation mechanism, namely the grain boundary Frenkel pair (GBFP) model, and corresponding diffusion mechanisms during electromigration developed using atomic molecular statics (MS), Monte Carlo (MC), and molecular dynamics (MD) simulation techniques in Al and Al-Cu. We contend that large numbers of interstitials and vacancies exist at grain boundaries and both contribute to mass transport. Cu preferentially segregates to the interstitial sites at grain boundaries via a Frenkel pair generation process and reduces the overall grain boundary diffusivity due to the strong binding in the Al-Cu dimer. Predictions from our models are in excellent agreement with available experimental data and observations.


2006 ◽  
Vol 249 ◽  
pp. 227-230 ◽  
Author(s):  
Nikolai Dolgopolov ◽  
A. Petelin ◽  
S. Rakov

The interaction of liquid metals with solid polycrystalline metal leads to the appearance of liquid grooves at grain boundaries. The shapes of these grooves may be of a very wide variety. In this paper the typical features of different liquid grooves are presented, classified and analyzed on the base of our experimental data. The developed models confirm the dominant role of diffusion mechanisms.


2009 ◽  
Vol 289-292 ◽  
pp. 633-640 ◽  
Author(s):  
Vladimir V. Popov

Capabilities of the emission nuclear gamma resonance (NGR) spectroscopy in studying grain boundaries in metals are considered. It is demonstrated that this method enables to evaluate grain-boundary segregation factors, to determine grain-boundary diffusion mechanisms, to estimate an effective diffusion coefficient in near-boundary areas, etc. Besides, this method permits to evaluate quantitatively differences in the properties of grain boundaries of polycrystalline and nanostructured materials.


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