Journal ArticleDOI
The influence of high grain boundary density on helium retention in tungsten
G. Valles,César González,Ignacio Martin-Bragado,R. Iglesias,José Manuel Perlado,Antonio Rivera +5 more
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In this paper, the influence of a high grain boundary density on the amount, size and distribution of defects produced by pulsed helium (625 keV) irradiation in tungsten has been studied.About:
This article is published in Journal of Nuclear Materials.The article was published on 2015-02-01. It has received 41 citations till now. The article focuses on the topics: Tungsten & Grain boundary.read more
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Journal ArticleDOI
Evaluation of tungsten as divertor plasma-facing material: results from ion irradiation experiments and computer simulations
P. N. Maya,Pushp Sharma,A. Satyaprasad,S. Mukherjee,Avesh K. Tyagi,S. S. Vala,P.V. Subhash,A. Attri,Pawan K. Kulriya,Parmendra Kumar Bajpai,P.M. Raole,V. Karki,Manish Kumar Singh,Rohit Kumar,Archana Lakhani,P. Kikani,P. A. Rayjada,Mitul Abhangi,Kedar Mal,Shiv P. Patel,T. Trivedi,K. Saravanan,S. Kannan,Christopher David,P. K. Pujari,Manoj Warrier,Samir S. Khirwadkar,S.P. Deshpande +27 more
TL;DR: In this paper, the effect of primary knock-on atom (PKA) spectrum on the damage creation and subsequent deuterium trapping at the defects has been investigated using computer simulations and surrogate ion-irradiation experiments.
Journal ArticleDOI
Microstructure evolution and Young's modulus of He-implanted nanocrystalline tungsten film
TL;DR: In this paper, the microstructure and Young's modulus of nanocrystalline tungsten film prepared by dual ion beam sputtering deposition and subsequently irradiated by 30 keV He+ of varying fluences at room temperature have been studied by experimental and simulation methods.
Book ChapterDOI
DFT-Parameterized Object Kinetic Monte Carlo Simulations of Radiation Damage
TL;DR: In this article, density functional theory (DFT) is proposed as an ab initio approach that can accurately calculate parameters required by the kinetic Monte Carlo (OKMC) as input data to analyze the microstructure evolution of the system.
Journal ArticleDOI
Blistering and deuterium retention in Nb-doped W exposed to low-energy deuterium plasma
Wenjia Han,Kaigui Zhu,Jing Yan,Tongjun Xia,Zhanlei Wang,Xiaoqiu Ye,Chen Chang An,Jiliang Wu,Yutian Ma +8 more
TL;DR: In this article, Tungsten and tungsten-niobium alloy with niobium concentration of 5 wt% were exposed to deuterium plasma at ~470 − 506 K, with flux of ~1.8 − 1.8 × 1021 D/m2/s, an ion energy of 100 eV and fluence of 1.6 − 2.6 × 1025 D /m2, both the blister size of pure W and W-5Nb alloy continue to increase.
Journal ArticleDOI
An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten.
TL;DR: This review presents recent advances in the understanding of helium effects in tungsten from a simulational approach based on accelerated molecular dynamics, which emphasizes the use of realistic parameters, as are expected in experimental and operational fusion power conditions.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Ab initio molecular dynamics for liquid metals.
Georg Kresse,Jürgen Hafner +1 more
TL;DR: In this paper, the authors present an ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local density approximation.