scholarly journals KINETIC EVOLUTION OF A 3D SPHERICAL CRYSTAL WITH MOBILE PARTICLES USING MONTE CARLO

Anales AFA ◽  
2019 ◽  
Vol Vol.30 (Vol.30 N.2) ◽  
pp. 25-30
Author(s):  
P. I. Achával ◽  
C. A. Rodríguez Luca ◽  
C. L. Di Prinzio
Keyword(s):  
Monte Carlo ◽  
Grain Boundary ◽  
Boundary Migration ◽  
The Other ◽  
Monte Carlo Algorithm ◽  
Grain Boundary Migration ◽  
Initial Radius ◽  
The Mean ◽  
Spherical Crystal ◽  
The Law

In this work, the evolution of a tridimensional (3D) spherical crystal with mobile particles using a Monte Carlo algorithm is presented. The mean radius R of spherical crystal without particles changes according to the law: R2 = -4kt + Ro2, where Ro is the initial radius and k is a crystal constant. However, this law is modified when mobile particles are included. The effect of two types of mobile particles on the grain boundary migration of a spherical grain was also studied. One type of particle remained located in the middle of the grain boundary once it was incorporated (CT), and the other type of particle remained at the grain boundary without having any particular location (NC). It could be seen that the CT particle slowed down more the grain boundary migration than the NC particles. It was also found that the rate of reduction of the grain area is inversely proportional to the concentration of CT particles in the grain boundary for all the CT particles concentrations. Finally, it was established that the grain reaches a limit radius for CT particles which is related to the amount of particles that can be accommodated in the grain boundary.

STUDY OF THE GRAIN BOUNDARY MIGRATION IN A TRICRISTAL PURE ICE WITH BUBBLES

Anales AFA ◽  
2019 ◽  
Vol 30 (3) ◽  
pp. 47-51
Author(s):  
P.I. Achával ◽  
C. L. Di Prinzio
Keyword(s):  
Monte Carlo ◽  
Grain Boundary ◽  
Numerical Simulations ◽  
Triple Junction ◽  
Boundary Migration ◽  
Optical Microscope ◽  
Physical Parameters ◽  
Grain Boundary Migration

In this paper the migration of a grain triple junction in apure ice sample with bubbles at -5°C was studied for almost 3hs. This allowed tracking the progress of the Grain Boundary (BG) and its interaction with the bubbles. The evolution of the grain triple junction was recorded from successive photographs obtained witha LEICA® optical microscope. Simultaneously, numerical simulations were carried out using Monte Carlo to obtain some physical parameters characteristic of the BG migration on ice.

scholarly journals A model of crystal-size evolution in polar ice masses

2014 ◽  
Vol 60 (221) ◽  
pp. 463-477 ◽  
Author(s):  
Felix NG ◽  
T.H. Jacka
Keyword(s):  
Crystal Growth ◽  
Dislocation Density ◽  
Grain Boundary ◽  
Crystal Size ◽  
Boundary Migration ◽  
Ice Core ◽  
Ice Cores ◽  
Grain Boundary Migration ◽  
Shallow Subsurface ◽  
The Mean

AbstractIn the deep ice cores drilled at the GRIP, NGRIP and GISP2 sites in Greenland and at Byrd Station and the summit of Law Dome in Antarctica, the mean crystal size increases with depth in the shallow subsurface and reaches steady values at intermediate depth. This behaviour has been attributed to the competition between grain-boundary migration driven crystal growth and crystal polygonization, but the effects of changing crystal dislocation density and non-equiaxed crystal shape in this competition are uncertain. We study these effects with a simple model. It describes how the mean height and width of crystals evolve as they flatten under vertical compression, and as crystal growth and polygonization compete. The polygonization rate is assumed to be proportional to the mean dislocation density across crystals. Migration recrystallization, which can affect crystal growth via strain-induced grain boundary migration but whose impact on the mean crystal size is difficult to quantify for ice at present, is not accounted for. When applied to the five ice-core sites, the model simulates the observed crystal-size profiles well down to the bottom of their steady regions, although the match for Law Dome is less satisfactory. Polygonization rate factors retrieved for the sites range from 10–5 to 10–2 a–1. We conclude that since crystal size and dislocation density evolve in a strongly coupled manner, consistent modelling requires multiple differential equations to track both of these variables. Future ice-core analysis should also determine crystal size in all three principal directions.

Dynamical Simulation of the Motion of Curved Grain Boundaries Composed of Pyramidal-Shaped Ledges

1990 ◽  
Vol 193 ◽  
Author(s):  
Re-Jhen Jhan ◽  
P. D. Bristowe
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Boundary Migration ◽  
Model System ◽  
The Other ◽  
Grain Boundary Migration ◽  
Dynamical Simulation ◽  
Atomic Mechanism ◽  
Or Groups

ABSTRACTA dynamical simulation of curved grain boundaries composed of pyramidal-shaped ledges has shown that the boundaries can move by local conservative shuffles of atoms or groups of atoms such that one adjoining crystal grows at the expense of the other. In the model system studied, the shuffles often take the form of correlated rotational displacements about the axis normal to the boundary. The simulations provide support for the atomic mechanism proposed by Babcock and Balluffi to explain their observation of grain boundary migration without the participation of SGBDs.

scholarly journals GRAIN BOUNDARY MIGRATION IN THIN FILMS USING MONTE CARLO METHOD

Anales AFA ◽  
2020 ◽  
Vol 31 (1) ◽  
pp. 7-12
Author(s):  
C. L. Di Prinzio ◽  
P. I. Achával ◽  
D. Stoler ◽  
G. Aguirre Varela
Keyword(s):  
Thin Films ◽  
Monte Carlo ◽  
Free Surface ◽  
Monte Carlo Method ◽  
Grain Boundary ◽  
Boundary Migration ◽  
Grain Boundary Migration ◽  
Thin Sample ◽  
The Monte Carlo Method ◽  
Theoretical Results

This paper presents the evolution of a flat grain boundary in a thin sample, using a numerical algorithm based on the Monte Carlo method. The grain boundary is driven by an external force and the effect of the free surface is studied.The grain boundary migration on the free surface is spasmodic, which means that it has alternating periods of movement and stagnation. Stagnation periods are inversely proportional to the thickness of the sample. The results obtained computationally fitted acceptable with the theoretical results obtained by different authors.

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).

Domain coarsening by grain boundary migration in ordered Ni4Mo

1986 ◽  
Vol 44 ◽  
pp. 560-561
Author(s):  
K. Vasudevan ◽  
H. P. Kao ◽  
C. R. Brooks ◽  
E. E. Stansbury
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Short Range ◽  
Boundary Migration ◽  
Grain Boundary Migration ◽  
Rapid Cooling ◽  
Temperature Range ◽  
Fee Structure ◽  
Domain Coarsening ◽  
Boundary Reaction

The Ni4Mo alloy has a short-range ordered fee structure (α) above 868°C, but transforms below this temperature to an ordered bet structure (β) by rearrangement of atoms on the fee lattice. The disordered α, retained by rapid cooling, can be ordered by appropriate aging below 868°C. Initially, very fine β domains in six different but crystallographically related variants form and grow in size on further aging. However, in the temperature range 600-775°C, a coarsening reaction begins at the former α grain boundaries and the alloy also coarsens by this mechanism. The purpose of this paper is to report on TEM observations showing the characteristics of this grain boundary reaction.

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