Journal
ACTA MATERIALIA
Volume 122, Issue -, Pages 277-286Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2016.10.007
Keywords
Tungsten; Hydrogen; Monte Carlo simulation; Nanocrystalline; Irradiation effect
Funding
- MINECO [RADIAFUS ENE-2012-39787-CO6, MATFUSLA AIC-A-2011-0718]
- EUROfusion Consortium [AWP15-ENR-01/CEA-02]
- Spanish Government Ramon y Cajal Fellowship [RyC-2012-10639]
- Junta de Andalucia
- European Commission under 7th Framework Program in the People Program through the Andalucia Talent Hub program [TAHUB-053]
- Spanish Supercomputing Network (RES) [FI-2014-3-0005]
- European PRACE-3IP project [FP7 RI-312763]
- MINECO (Spain) [JCI-2012-12652]
- MECD (Spain) [CAS15/00121]
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We have studied the influence of grain boundaries (GBs) on the radiation-induced defect evolution and on H retention at 300 K, both experimentally and by computer simulations. For this purpose, coarse grained tungsten (CGW) and nanostructured tungsten (NW) samples were implanted with H and C ions at energies of 170 keV and 665 keV respectively. Three different sets of experiments were carried out: (i) H single implantation, (ii) C and H co-implantation and (iii) C and H sequential implantation. Computer simulations were performed by using the Object Kinetic Monte Carlo (OKMC) methodology, which was parameterized by new and pre-existing Density Functional Theory (DFT) data. The three sets of experiments were simulated in monocrystalline tungsten (MW) and NW, resulting that (i) GBs have a clear influence on the amount and distribution of vacancies, being the vacancy concentration larger in NW than in MW samples, (ii) H retention is highly influenced by both the GBs themselves and the vacancy concentration, (iii) the size of HnVm clusters is slightly influenced by the presence of GBs and (iv) it can be inferred, from the comparison between experimental and computational results, that GBs act as preferential paths for H diffusion. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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