Influence of grain boundaries on the radiation-induced defects and hydrogen in nanostructured and coarse-grained tungsten

被引：74

作者：

Valles, G. ^{[1
]}

Panizo-Laiz, M. ^{[1
]}

Gonzalez, C. ^{[1
,2
,3
]}

Martin-Bragado, I. ^{[4
]}

Gonzalez-Arrabal, R. ^{[1
]}

Gordillo, N. ^{[1
]}

Iglesias, R. ^{[5
]}

Guerrero, C. L. ^{[1
]}

Perlado, J. M. ^{[1
]}

Rivera, A. ^{[1
]}

机构：

[1] Inst Fus Nucl UPM, Jose Gutierrez Abascal 2, Madrid 28006, Spain

[2] Univ Granada, Dept Elect & Tecnol Comp, Fuente Nueva, E-18071 Granada, Spain

[3] CITIC, E-18071 Granada, Spain

[4] IMDEA Mat Inst, C Eric Kandel 2, Madrid 28906, Spain

[5] Univ Oviedo, Dept Fis, C Calvo Sotelo S-N, Oviedo, Spain

来源：

ACTA MATERIALIA | 2017年 / 122卷

关键词：

Tungsten; Hydrogen; Monte Carlo simulation; Nanocrystalline; Irradiation effect; MOLECULAR-DYNAMICS; DAMAGE; DIFFUSION; ENERGY; RETENTION; VACANCIES; DENSITY; WALL; ACCUMULATION; SIMULATION;

D O I：

10.1016/j.actamat.2016.10.007

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页码：277 / 286

页数：10

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