scholarly journals The Kinetic Monte Carlo Algorithm in Materials Science: Study of Radiation-Induced Segregation in Fe-Cr alloys

2018 ◽  
Author(s):  
Enrique Martinez Saez
Keyword(s):  
Monte Carlo ◽  
Materials Science ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Algorithm ◽  
Science Study ◽  
Radiation Induced

scholarly journals Radiation-induced segregation in W-Re: from kinetic Monte Carlo simulations to atom probe tomography experiments

2019 ◽  
Vol 92 (10) ◽  
Author(s):  
Matthew J. Lloyd ◽  
Robert G. Abernethy ◽  
David E. J. Armstrong ◽  
Paul A. J. Bagot ◽  
Michael P. Moody ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Atom Probe Tomography ◽  
Ion Irradiation ◽  
Kinetic Monte Carlo ◽  
Cluster Formation ◽  
Monte Carlo Model ◽  
Atom Probe ◽  
Solubility Limit ◽  
Radiation Induced ◽  
Kinetic Monte Carlo Simulations

Abstract A viable fusion power station is reliant on the development of plasma facing materials that can withstand the combined effects of high temperature operation and high neutron doses. In this study we focus on W, the most promising candidate material. Re is the primary transmutation product and has been shown to induce embrittlement through cluster formation and precipitation below its predicted solubility limit in W. We investigate the mechanism behind this using a kinetic Monte Carlo model, implemented into Stochastic Parallel PARticle Kinetic Simulator (SPPARKS) code and parameterised with a pairwise energy model for both interstitial and vacancy type defects. By introducing point defect sinks into our simulation cell, we observe the formation of Re rich clusters which have a concentration similar to that observed in ion irradiation experiments. We also compliment our computational work with atom probe tomography (APT) of ion implanted, model W-Re alloys. The segregation of Re to grain boundaries is observed in both our APT and KMC simulations. Graphical abstract

scholarly journals Разогрев и релаксация энергии электронно-дырочного газа в треке первичного атома отдачи

2020 ◽  
Vol 54 (8) ◽  
pp. 791
Author(s):  
А.С. Пузанов ◽  
С.В. Оболенский ◽  
В.А. Козлов
Keyword(s):  
Monte Carlo ◽  
Charged Particle ◽  
Energy Spectrum ◽  
Charge Carriers ◽  
Monte Carlo Algorithm ◽  
Fast Neutrons ◽  
Recoil Atom ◽  
Hole Plasma ◽  
Characteristic Temperatures ◽  
Radiation Induced

Based on the Monte Carlo algorithm, a method has been developed for calculating the energy spectrum of hot nonequilibrium electrons and holes in the track of the primary recoil atom when exposed to single fast neutrons. The calculations of the heating and subsequent relaxation of nonequilibrium charge carriers in silicon in the track of a charged particle with initial energies in the range of 50...200 keV are carried out. The characteristic temperatures of the electron and hole plasma were obtained, which amounted to 5400 K and 2700 K, respectively. The effect of radiation-induced heating of charge carriers on the failure stability of static memory elements is discussed.

scholarly journals A First-Passage Kinetic Monte Carlo algorithm for complex diffusion–reaction systems

2010 ◽  
Vol 229 (9) ◽  
pp. 3214-3236 ◽  
Author(s):  
Aleksandar Donev ◽  
Vasily V. Bulatov ◽  
Tomas Oppelstrup ◽  
George H. Gilmer ◽  
Babak Sadigh ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Algorithm ◽  
Diffusion Reaction ◽  
First Passage ◽  
Reaction Systems ◽  
Complex Diffusion
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