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Title: Investigation of the Effects of Hydrogen Atoms Concentration on the Tungsten Sigma 5 (310) Symmetric Tilt Grain Boundary Strength

Abstract

Recently, strict policies are being made by several government agencies, environmentalists, and some people against the usage of fossil fuels as the source of energy generation. Not only because its supply does not meet the booming human population all around the world but also it is not pollution-free; just to mention a few. These setbacks attached to fossil fuels make nuclear fusion energy an important means of energy generation; it is characterized with clean and easy means of energy generation compared to other methods of power production such as hydropower and solar power. The success of fusion power depends on the design of modern fusion materials and the selection of the plasma facing materials (PFMs). ITER and Demonstration Power plant (DEMO) considered Tungsten (W) as part of their PFMs. W is the most preferred plasma facing material (PFM) for the future nuclear fusion reactors such as in the proposed DEMO and ITER- which is at the moment the largest Tokamak nuclear fusion reactor under construction in the world. Tungsten has excellent thermal properties, low-sputtering yield, and high melting point. Hydrogen (H) atoms have an affinity for tungsten grain boundary, and are trapped there permanently. In addition, it makes W pronemore » to failure. In a fusion environment, W is exposed to extremely high fluences of H isotopes and irradiation. The low-energy H isotopes will be retained in the tungsten material leading to the formation of blisters in W and cause degradation of the mechanical and thermal properties of W. For safety reason, the effect of hydrogen atoms concentration at the tungsten S5 (310) grain boundary (GB) needs to be investigated and it will aid in better designing of fusion wall materials. Σ5 (310) is considered in this work because it is one of the most important and dominant GBs in the atomic distribution of materials. GBs affect the strength of W as well. The GBs with superior properties can be increased in the atomic distribution of W relative to others in order to achieve high overall material properties. GBs play a role in determining the properties of materials such as the thermal and electrical conductivity of a material. The crystallography description of the Σ5 (310) grain boundary comprises of Σ, tilt type- symmetric, crystallographic direction [001] and the GB plane. The Σ is related to the coincidence site lattice (CSL) model, which denotes that in a certain orientation between two grains, there are numbers of points where the atoms coincide. For the case of Σ5 (310), the misorientation between the two crystals is 36.9 degree along [001] direction and the GB plane is (310). GB properties differ as result of different sigma values and Σ is the reciprocal of CSL. Thus, Σ5 GB has 1/5 of the atoms in coincident sites. For the case of a tilt boundary, the lattice vector is embedded in the GB plane. Also for a tilt-symmetric GB, the grains directions are mirrored against the GB plane. The classic molecular dynamics method (MD) is an accurate numerical approach that adopts Newton's equation of motion to get atoms trajectories.Studies have been carried out on atomistic simulation of tungsten.The effect of H on GB migration in W was studied by using molecular dynamics simulation and it was discovered that H prevents the GB migration at different H concentrations and temperatures. Others investigated the migration, dissolution and trapping of H in W using MD and first principles method. Atomistic simulations have been used to predict the GB energy in Fe and Mo using embedded atom method (EAM) and it was concluded that the GB energies in the metals are affected more by the orientation of the GB plane than by the misorientation of the lattice. Study was done on symmetric and asymmetric tilt grain boundaries in Cu and Al using MD method and the GB structures and energies were established; EAM was adopted as well. The formation of hydrogen blisters and cracking processes for various tungsten materials were investigated and it was observed that, dopants increase the number of blisters and exfoliations for both stress relieved and recrystallized W. Investigation was carried out on the surface morphology changes in W caused by plasmas heat and particle loadings and their effects on material degradation in ITER. In addition, the study of interactions between low energetic hydrogen and tungsten surface was carried out using molecular dynamics simulations with analytical bond order potential (ABOP) and the results addressed irradiation damage in tungsten. Mechanism of blister formation on W surface was studied using experimental approach and it was observed that the amount of blisters formed depends on the beam fluence. This work investigates the effect of hydrogen atom concentrations at the W Σ5 (310) tilt-symmetric GB on the grain boundary energy and the GB pulling force. (authors)« less

Authors:
;  [1]
  1. Texas A and M University-Kingsville, Texas, 78363 (United States)
Publication Date:
OSTI Identifier:
22991888
Resource Type:
Journal Article
Journal Name:
Transactions of the American Nuclear Society
Additional Journal Information:
Journal Volume: 114; Journal Issue: 1; Conference: Annual Meeting of the American Nuclear Society, New Orleans, LA (United States), 12-16 Jun 2016; Other Information: Country of input: France; 16 refs.; Available from American Nuclear Society - ANS, 555 North Kensington Avenue, La Grange Park, IL 60526 United States; Journal ID: ISSN 0003-018X
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY; 36 MATERIALS SCIENCE; CRYSTALLOGRAPHY; DOPED MATERIALS; ELECTRIC CONDUCTIVITY; EQUATIONS OF MOTION; FIRST WALL; FOSSIL FUELS; GRAIN BOUNDARIES; IRRADIATION; ITER TOKAMAK; MOLECULAR DYNAMICS METHOD; SIMULATION; TUNGSTEN

Citation Formats

Atiku, Kabiru, and Yang, Xue. Investigation of the Effects of Hydrogen Atoms Concentration on the Tungsten Sigma 5 (310) Symmetric Tilt Grain Boundary Strength. United States: N. p., 2016. Web.
Atiku, Kabiru, & Yang, Xue. Investigation of the Effects of Hydrogen Atoms Concentration on the Tungsten Sigma 5 (310) Symmetric Tilt Grain Boundary Strength. United States.
Atiku, Kabiru, and Yang, Xue. 2016. "Investigation of the Effects of Hydrogen Atoms Concentration on the Tungsten Sigma 5 (310) Symmetric Tilt Grain Boundary Strength". United States.
@article{osti_22991888,
title = {Investigation of the Effects of Hydrogen Atoms Concentration on the Tungsten Sigma 5 (310) Symmetric Tilt Grain Boundary Strength},
author = {Atiku, Kabiru and Yang, Xue},
abstractNote = {Recently, strict policies are being made by several government agencies, environmentalists, and some people against the usage of fossil fuels as the source of energy generation. Not only because its supply does not meet the booming human population all around the world but also it is not pollution-free; just to mention a few. These setbacks attached to fossil fuels make nuclear fusion energy an important means of energy generation; it is characterized with clean and easy means of energy generation compared to other methods of power production such as hydropower and solar power. The success of fusion power depends on the design of modern fusion materials and the selection of the plasma facing materials (PFMs). ITER and Demonstration Power plant (DEMO) considered Tungsten (W) as part of their PFMs. W is the most preferred plasma facing material (PFM) for the future nuclear fusion reactors such as in the proposed DEMO and ITER- which is at the moment the largest Tokamak nuclear fusion reactor under construction in the world. Tungsten has excellent thermal properties, low-sputtering yield, and high melting point. Hydrogen (H) atoms have an affinity for tungsten grain boundary, and are trapped there permanently. In addition, it makes W prone to failure. In a fusion environment, W is exposed to extremely high fluences of H isotopes and irradiation. The low-energy H isotopes will be retained in the tungsten material leading to the formation of blisters in W and cause degradation of the mechanical and thermal properties of W. For safety reason, the effect of hydrogen atoms concentration at the tungsten S5 (310) grain boundary (GB) needs to be investigated and it will aid in better designing of fusion wall materials. Σ5 (310) is considered in this work because it is one of the most important and dominant GBs in the atomic distribution of materials. GBs affect the strength of W as well. The GBs with superior properties can be increased in the atomic distribution of W relative to others in order to achieve high overall material properties. GBs play a role in determining the properties of materials such as the thermal and electrical conductivity of a material. The crystallography description of the Σ5 (310) grain boundary comprises of Σ, tilt type- symmetric, crystallographic direction [001] and the GB plane. The Σ is related to the coincidence site lattice (CSL) model, which denotes that in a certain orientation between two grains, there are numbers of points where the atoms coincide. For the case of Σ5 (310), the misorientation between the two crystals is 36.9 degree along [001] direction and the GB plane is (310). GB properties differ as result of different sigma values and Σ is the reciprocal of CSL. Thus, Σ5 GB has 1/5 of the atoms in coincident sites. For the case of a tilt boundary, the lattice vector is embedded in the GB plane. Also for a tilt-symmetric GB, the grains directions are mirrored against the GB plane. The classic molecular dynamics method (MD) is an accurate numerical approach that adopts Newton's equation of motion to get atoms trajectories.Studies have been carried out on atomistic simulation of tungsten.The effect of H on GB migration in W was studied by using molecular dynamics simulation and it was discovered that H prevents the GB migration at different H concentrations and temperatures. Others investigated the migration, dissolution and trapping of H in W using MD and first principles method. Atomistic simulations have been used to predict the GB energy in Fe and Mo using embedded atom method (EAM) and it was concluded that the GB energies in the metals are affected more by the orientation of the GB plane than by the misorientation of the lattice. Study was done on symmetric and asymmetric tilt grain boundaries in Cu and Al using MD method and the GB structures and energies were established; EAM was adopted as well. The formation of hydrogen blisters and cracking processes for various tungsten materials were investigated and it was observed that, dopants increase the number of blisters and exfoliations for both stress relieved and recrystallized W. Investigation was carried out on the surface morphology changes in W caused by plasmas heat and particle loadings and their effects on material degradation in ITER. In addition, the study of interactions between low energetic hydrogen and tungsten surface was carried out using molecular dynamics simulations with analytical bond order potential (ABOP) and the results addressed irradiation damage in tungsten. Mechanism of blister formation on W surface was studied using experimental approach and it was observed that the amount of blisters formed depends on the beam fluence. This work investigates the effect of hydrogen atom concentrations at the W Σ5 (310) tilt-symmetric GB on the grain boundary energy and the GB pulling force. (authors)},
doi = {},
url = {https://www.osti.gov/biblio/22991888}, journal = {Transactions of the American Nuclear Society},
issn = {0003-018X},
number = 1,
volume = 114,
place = {United States},
year = {2016},
month = {6}
}