Modelling of Grain Boundary Stability of Materials under Severe Plastic Deformation and Experimental Verification

2010 ◽  
Vol 638-642 ◽  
pp. 2724-2729
Author(s):  
Yoshiyuki Saito ◽  
Chitoshi Masuda
Keyword(s):  
Monte Carlo ◽  
Grain Boundary ◽  
Computer Simulations ◽  
Phase Field ◽  
Field Methods ◽  
Simulation Results ◽  
Boundary Stability ◽  
Textured Materials ◽  
Phase Field Methods ◽  
Good Agreement

Thermodynamic stability of Grain boundary in materials under severe plastic deformation was simulated by the Monte Carlo and the phase field methods. Computer simulations were performed on 3-dimensional textured materials. The Monte Carlo simulation results were qualitatively in good agreement with those by the phase field model. The classification of the solution of differential equations based on the mean-field Hillert model describing temporal evolution of the scaled grain size distribution function was in good agreement with those given by the Computer simulations. The ARB experiments were performed for pure Al and Al alloys-sheets in order to validate the computer simulation results concerning the grain boundary stability of textured materials. With use of the Monte Carlo and the phase field methods. Effect of grain boundary mobilises and interface energy given by the computer simulations.

The Free Energy Simulation Approach to Grain Boundary Segregation In Cu-Ni

1990 ◽  
Vol 209 ◽  
Author(s):  
H. Y. Wang ◽  
R. Najafabadi ◽  
D. J. Srolovitz ◽  
R. Lesar
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Grain Boundary ◽  
Chemical Potential ◽  
Boundary Segregation ◽  
Configurational Entropy ◽  
Accurate Method ◽  
Increasing Temperature ◽  
Atomic Coordinates ◽  
Good Agreement

ABSTRACTA new, accurate method for determining equilibrium segregation to defects in solids is employed to examine the segregation of Cu to grain boundaries in Cu-Ni alloys. The results are in very good agreement with the ones given by Monte Carlo. This method is based upon a point approximation for the configurational entropy, an Einstein model for vibrational contributions to the free energy. To achieve the equilibrium state of a defect in an alloy the free energy is minimized with respect to atomic coordinates and composition of each site at constant chemical potential. One of the main advantages this new method enjoys over other methods such as Monte Carlo, is the efficiency with which the atomic structure of a defect, segregation and thermodynamic properties can be determined. The grain boundary free energy can either increase or decrease with increasing temperature due to the competition between energetic and configurational entropy terms. In general, the grain boundary free energy increases with temperature when the segregation is strongest.

scholarly journals A one-dimensional modified TASEP model on a track of variable length: analytical and computational results

2021 ◽  
Vol 2090 (1) ◽  
pp. 012025
Author(s):  
B. Reed ◽  
E. Aldrich ◽  
L. Stoleriu ◽  
D.A. Mazilu ◽  
I. Mazilu
Keyword(s):  
Monte Carlo ◽  
Molecular Motors ◽  
Mean Field Theory ◽  
Mean Field ◽  
Limited Range ◽  
Field Methods ◽  
One Dimensional ◽  
Emergent Features ◽  
Simulation Results ◽  
Mean Field Methods

Abstract We present analytical solutions and Monte Carlo simulation results for a one-dimensional modified TASEP model inspired by the interplay between molecular motors and their cellular tracks of variable lengths, known as microtubules. Our TASEP model incorporates rules for changes in the length of the track based on the occupation of the first two sites. Using mean-field theory, we derive analytical results for the particle densities and particle currents and compare them with Monte Carlo simulations. These results show the limited range of mean-field methods for models with localized high correlation between particles. The variability in length adds to the complexity of the model, leading to emergent features for the evolution of particle densities and particle currents compared to the traditional TASEP model.

scholarly journals Benchmarking of Siemens Linac in Electron Modes: 8-14 MeV Electron Beams

2018 ◽  
Vol 8 (2) ◽  
Author(s):  
H Dowlatabadi ◽  
A A Mowlavi ◽  
M Ghorbani ◽  
S Mohammadi ◽  
F Akbari
Keyword(s):  
Monte Carlo ◽  
Radiation Treatment ◽  
Electron Beams ◽  
Dose Profile ◽  
Depth Dose ◽  
Mcnpx Code ◽  
Gamma Index ◽  
Simulation Results ◽  
Mc Simulation ◽  
Good Agreement

Introduction: Radiation therapy using electron beams is a promising method due to its physical dose distribution. Monte Carlo (MC) code is the best and most accurate technique for forespeaking the distribution of dose in radiation treatment of patients.Materials and Methods: We report an MC simulation of a linac head and depth dose on central axis, along with profile calculations. The purpose of the present research is to carefully analyze the application of MC methods for the calculation of dosimetric parameters for electron beams with energies of 8–14 MeV at a Siemens Primus linac. The principal components of the linac head were simulated using MCNPX code for different applicators. Results: The consequences of measurements and simulations revealed a good agreement. Gamma index values were below 1 for most points, for all energy values and all applicators in percent depth dose and dose profile computations. A number of states exhibited rather large gamma indices; these points were located at the tail of the percent depth dose graph; these points were less used in in radiotherapy. In the dose profile graph, gamma indices of most parts were below 1. The discrepancies between the simulation results and measurements in terms of Zmax, R90, R80 and R50 were insignificant. The results of Monte Carlo simulations showed a good agreement with the measurements. Conclusion: The software can be used for simulating electron modes of a Siemens Primus linac when direct experimental measurements are not feasible.

Computation of Madalines' Sensitivity to Input and Weight Perturbations

2006 ◽  
Vol 18 (11) ◽  
pp. 2854-2877 ◽  
Author(s):  
Yingfeng Wang ◽  
Xiaoqin Zeng ◽  
Daniel So Yeung ◽  
Zhihang Peng
Keyword(s):  
Probability Theory ◽  
Computer Simulations ◽  
Structural Characteristics ◽  
Analytical Formula ◽  
Single Neurons ◽  
Important Measure ◽  
Simulation Results ◽  
Theoretical Results ◽  
Good Agreement

The sensitivity of a neural network's output to its input and weight perturbations is an important measure for evaluating the network's performance. In this letter, we propose an approach to quantify the sensitivity of Madalines. The sensitivity is defined as the probability of output deviation due to input and weight perturbations with respect to overall input patterns. Based on the structural characteristics of Madalines, a bottomup strategy is followed, along which the sensitivity of single neurons, that is, Adalines, is considered first and then the sensitivity of the entire Madaline network. Bymeans of probability theory, an analytical formula is derived for the calculation of Adalines' sensitivity, and an algorithm is designed for the computation of Madalines' sensitivity. Computer simulations are run to verify the effectiveness of the formula and algorithm. The simulation results are in good agreement with the theoretical results.

scholarly journals A redefined energy functional to prevent mass loss in phase-field methods

AIP Advances ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 065124
Author(s):  
M. Kwakkel ◽  
M. Fernandino ◽  
C. A. Dorao
Keyword(s):  
Mass Loss ◽  
Phase Field ◽  
Energy Functional ◽  
Field Methods ◽  
Phase Field Methods
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