Archivo Digital UPM: No conditions. Results ordered -Date Deposited. 2019-08-19T04:37:54ZEPrintshttp://oa.upm.es/style/images/logo-archivo-digital.pnghttp://oa.upm.es/2012-06-26T08:00:30Z2017-09-06T16:21:02Zhttp://oa.upm.es/id/eprint/11158This item is in the repository with the URL: http://oa.upm.es/id/eprint/111582012-06-26T08:00:30ZObject Kinetic Monte Carlo calculations of irradiated Fe-Cr dilute alloys: The effect of the interaction radius between substitutional Cr and self-interstitial FeObjectKineticMonteCarlo models allow for the study of the evolution of the damage created by irradiation to time scales that are comparable to those achieved experimentally. Therefore, the essential ObjectKineticMonteCarlo parameters can be validated through comparison with experiments. However, this validation is not trivial since a large number of parameters is necessary, including migration energies of point defects and their clusters, binding energies of point defects in clusters, as well as the interactionradii. This is particularly cumbersome when describing an alloy, such as the Fe–Cr system, which is of interest for fusion energy applications. In this work we describe an ObjectKineticMonteCarlo model for Fe–Cr alloys in the dilute limit. The parameters used in the model come either from density functional theory calculations or from empirical interatomic potentials. This model is used to reproduce isochronal resistivity recovery experiments of electron irradiateddiluteFe–Cr alloys performed by Abe and Kuramoto. The comparison between the calculated results and the experiments reveal that an important parameter is the capture radius between substitutionalCr and self-interstitialFe atoms. A parametric study is presented on the effect of the capture radius on the simulated recovery curves.María de Linarejos Gámez MejíasBerta Gamez MejiasMaria Jose Caturla TerolD. TerentyevJosé Manuel Perlado Martín2011-06-15T10:41:49Z2017-09-08T13:11:16Zhttp://oa.upm.es/id/eprint/7521This item is in the repository with the URL: http://oa.upm.es/id/eprint/75212011-06-15T10:41:49ZSimulations of Resistivity Recovery curves of electron-irradiated dilute FeCr alloys using an Object Kinetic Monte Carlo Model.An Object Kinetic Monte Carlo model is being developed for dilute (less than 1% Cr) FeCr alloys. The model includes the effects of Cr on the mobility of radiation effects using information obtained either from density functional theory or effects of Cr on the mobility of radiation effects, using information obtained either from density functional theory or molecular dynamics calculations. The results are compared to experimental measurements of electric resistivity for different Cr concentrations. We analyse the dependence of Cr on the first two observed peaks: ID2 and IE and the influence of parameters such as the interaction radius between Cr and an Fe self-interstitiaBerta Gamez MejiasMaría de Linarejos Gámez MejíasMaria Jose Caturla TerolD. TerentyevL. MalerbaJosé Manuel Perlado Martín2011-06-15T10:15:42Z2017-09-08T13:12:51Zhttp://oa.upm.es/id/eprint/7524This item is in the repository with the URL: http://oa.upm.es/id/eprint/75242011-06-15T10:15:42ZThe Importance of the Interaction Radius Between Cr and Self-interstitial Fe in Object Kinetic Monte Carlo Calculations of Irradiated FeCr Diluted AlloysWe have studied electron irradiation and annealing of FeCr alloys in the dilute limit ( less than 1% Cr) using Object kinetic Monte Carlo (OKMC) with input from density functional theory calculations and empirical potentials. The results are compared to experimental measurements of electric resistivity for different Cr concentrations. We analyse the dependence of Cr on the first two observed peaks: ID2 and IE and the influence of parameters such as the interaction radius between Cr and an Fe self-interstitial.María de Linarejos Gámez MejíasBerta Gamez MejiasMaria Jose Caturla TerolD. TerentyevJosé Manuel Perlado Martín2011-06-15T10:06:04Z2017-09-11T18:07:36Zhttp://oa.upm.es/id/eprint/7525This item is in the repository with the URL: http://oa.upm.es/id/eprint/75252011-06-15T10:06:04ZResistivity Recovery curves of electron-irradiated FeCr alloys with Object Kinetic Monte Carlo: influence of Cr interctions.An Object Kinetic Monte Carlo model is being developed for dilute (less than 1% Cr) FeCr alloys. The model includes the effects of Cr on the mobility of radiation effects, using information obtained either from density functional theory or molecular dynamics calculations. The results are compared to experimental measurements of electric resistivity for different Cr concentrations. We analyse the dependence of Cr on the first two observed peaks: ID2 and IE and the influence of parameters such as the interaction radius between Cr and an Fe self-interstitial.María de Linarejos Gámez MejíasBerta Gamez MejiasMaria Jose Caturla TerolD. TerentyevJosé Manuel Perlado MartínL. MalerbaJosé Manuel Perlado Martín