کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1569863 1514269 2006 12 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Solute interaction with point defects in α Fe during thermal ageing: A combined ab initio and atomic kinetic Monte Carlo approach
موضوعات مرتبط
مهندسی و علوم پایه مهندسی انرژی انرژی هسته ای و مهندسی
پیش نمایش صفحه اول مقاله
Solute interaction with point defects in α Fe during thermal ageing: A combined ab initio and atomic kinetic Monte Carlo approach
چکیده انگلیسی

Solute Cu plays a major role in the embrittlement of reactor pressure vessel (RPV) steels under radiation. In RPV steels and dilute FeCu alloys, characterization techniques such as the tomographic atom probe (TAP), or the small angle neutron scattering (SANS) have revealed the formation of solute rich clusters (with Cu, Ni, Mn and Si) under neutron flux. It is thus very important to characterize the interactions of these solutes with radiation-induced point defects in order to understand the elementary mechanisms behind the formation of these clusters. Ab initio calculations based on the density functional theory have been made in order to build a database used to parameterise an atomic kinetic Monte Carlo model. The interactions of point defects and solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si) have been evaluated for different configurations of small solute clusters and solute–vacancy complexes. First results obtained with the kinetic Monte Carlo model will be presented and compared to some experimental observations.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Nuclear Materials - Volume 351, Issues 1–3, 1 June 2006, Pages 88–99
نویسندگان
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