The Experts below are selected from a list of 6273 Experts worldwide ranked by ideXlab platform
Jie Hou - One of the best experts on this subject based on the ideXlab platform.
-
Hydrogen Bubble nucleation by self-clustering: Density Functional Theory and statistical models studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Jie Hou, Xiang-shan Kong, Yu-wei You, Changsong Liu, Jingjing Sun, Jun SongAbstract:Low-energy Hydrogen irradiation is known to induce Bubble formation in tungsten, while its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behavior of Hydrogen in tungsten. Unlike previous speculations that Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogens, we demonstrated that Hydrogen self-cluster becomes more favorable as the cluster size increases. We found that Hydrogen atoms would form two-dimensional platelet-like structures along {100} planes. These Hydrogen self-clustering behaviors can be quantitative understood by the competition between long-ranged elastic attraction and local electronic repulsion. Further statistical analysis showed that there exists a critical Hydrogen concentration above which Hydrogen self-clusters are thermodynamically stable and kinetically feasible. Based on this critical Hydrogen concentration, the plasma loading conditions under which Hydrogen self-clusters form were predicted. Our predictions showed excellent agreement with experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
-
Hydrogen Bubble nucleation by self clustering density functional theory and statistical model studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Xiang-shan Kong, Yu-wei You, Jie Hou, Jingjing Sun, C S Liu, Jun SongAbstract:Low-energy, high-flux Hydrogen irradiation is known to induce Bubble formation in tungsten, but its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behaviour of Hydrogen in tungsten. Unlike previous speculations that the Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogen atoms, we found that 2D platelet-like Hydrogen self-clusters could form at high Hydrogen concentrations. The attractive binding energy of the Hydrogen self-cluster becomes larger as the cluster size increases and plateaus at 0.38 eV/H around size of 40. We found that Hydrogen atoms would form 2D platelet-like structures along planes. These Hydrogen self-clustering behaviours can be quantitatively understood by the competition between long-ranged elastic attraction and local electronic repulsion among Hydrogens. Further analysis showed Hydrogen self-clusters to be kinetically feasible and thermodynamically stable above a critical Hydrogen concentration. Based on this critical Hydrogen concentration, we predicted the Hydrogen irradiation condition required for the formation of Hydrogen self-clusters. Our predictions showed excellent agreement with the experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
Jun Song - One of the best experts on this subject based on the ideXlab platform.
-
Hydrogen Bubble nucleation by self-clustering: Density Functional Theory and statistical models studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Jie Hou, Xiang-shan Kong, Yu-wei You, Changsong Liu, Jingjing Sun, Jun SongAbstract:Low-energy Hydrogen irradiation is known to induce Bubble formation in tungsten, while its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behavior of Hydrogen in tungsten. Unlike previous speculations that Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogens, we demonstrated that Hydrogen self-cluster becomes more favorable as the cluster size increases. We found that Hydrogen atoms would form two-dimensional platelet-like structures along {100} planes. These Hydrogen self-clustering behaviors can be quantitative understood by the competition between long-ranged elastic attraction and local electronic repulsion. Further statistical analysis showed that there exists a critical Hydrogen concentration above which Hydrogen self-clusters are thermodynamically stable and kinetically feasible. Based on this critical Hydrogen concentration, the plasma loading conditions under which Hydrogen self-clusters form were predicted. Our predictions showed excellent agreement with experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
-
Hydrogen Bubble nucleation by self clustering density functional theory and statistical model studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Xiang-shan Kong, Yu-wei You, Jie Hou, Jingjing Sun, C S Liu, Jun SongAbstract:Low-energy, high-flux Hydrogen irradiation is known to induce Bubble formation in tungsten, but its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behaviour of Hydrogen in tungsten. Unlike previous speculations that the Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogen atoms, we found that 2D platelet-like Hydrogen self-clusters could form at high Hydrogen concentrations. The attractive binding energy of the Hydrogen self-cluster becomes larger as the cluster size increases and plateaus at 0.38 eV/H around size of 40. We found that Hydrogen atoms would form 2D platelet-like structures along planes. These Hydrogen self-clustering behaviours can be quantitatively understood by the competition between long-ranged elastic attraction and local electronic repulsion among Hydrogens. Further analysis showed Hydrogen self-clusters to be kinetically feasible and thermodynamically stable above a critical Hydrogen concentration. Based on this critical Hydrogen concentration, we predicted the Hydrogen irradiation condition required for the formation of Hydrogen self-clusters. Our predictions showed excellent agreement with the experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
Jingjing Sun - One of the best experts on this subject based on the ideXlab platform.
-
Hydrogen Bubble nucleation by self-clustering: Density Functional Theory and statistical models studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Jie Hou, Xiang-shan Kong, Yu-wei You, Changsong Liu, Jingjing Sun, Jun SongAbstract:Low-energy Hydrogen irradiation is known to induce Bubble formation in tungsten, while its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behavior of Hydrogen in tungsten. Unlike previous speculations that Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogens, we demonstrated that Hydrogen self-cluster becomes more favorable as the cluster size increases. We found that Hydrogen atoms would form two-dimensional platelet-like structures along {100} planes. These Hydrogen self-clustering behaviors can be quantitative understood by the competition between long-ranged elastic attraction and local electronic repulsion. Further statistical analysis showed that there exists a critical Hydrogen concentration above which Hydrogen self-clusters are thermodynamically stable and kinetically feasible. Based on this critical Hydrogen concentration, the plasma loading conditions under which Hydrogen self-clusters form were predicted. Our predictions showed excellent agreement with experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
-
Hydrogen Bubble nucleation by self clustering density functional theory and statistical model studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Xiang-shan Kong, Yu-wei You, Jie Hou, Jingjing Sun, C S Liu, Jun SongAbstract:Low-energy, high-flux Hydrogen irradiation is known to induce Bubble formation in tungsten, but its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behaviour of Hydrogen in tungsten. Unlike previous speculations that the Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogen atoms, we found that 2D platelet-like Hydrogen self-clusters could form at high Hydrogen concentrations. The attractive binding energy of the Hydrogen self-cluster becomes larger as the cluster size increases and plateaus at 0.38 eV/H around size of 40. We found that Hydrogen atoms would form 2D platelet-like structures along planes. These Hydrogen self-clustering behaviours can be quantitatively understood by the competition between long-ranged elastic attraction and local electronic repulsion among Hydrogens. Further analysis showed Hydrogen self-clusters to be kinetically feasible and thermodynamically stable above a critical Hydrogen concentration. Based on this critical Hydrogen concentration, we predicted the Hydrogen irradiation condition required for the formation of Hydrogen self-clusters. Our predictions showed excellent agreement with the experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
Yu-wei You - One of the best experts on this subject based on the ideXlab platform.
-
Hydrogen Bubble nucleation by self clustering density functional theory and statistical model studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Xiang-shan Kong, Yu-wei You, Jie Hou, Jingjing Sun, C S Liu, Jun SongAbstract:Low-energy, high-flux Hydrogen irradiation is known to induce Bubble formation in tungsten, but its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behaviour of Hydrogen in tungsten. Unlike previous speculations that the Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogen atoms, we found that 2D platelet-like Hydrogen self-clusters could form at high Hydrogen concentrations. The attractive binding energy of the Hydrogen self-cluster becomes larger as the cluster size increases and plateaus at 0.38 eV/H around size of 40. We found that Hydrogen atoms would form 2D platelet-like structures along planes. These Hydrogen self-clustering behaviours can be quantitatively understood by the competition between long-ranged elastic attraction and local electronic repulsion among Hydrogens. Further analysis showed Hydrogen self-clusters to be kinetically feasible and thermodynamically stable above a critical Hydrogen concentration. Based on this critical Hydrogen concentration, we predicted the Hydrogen irradiation condition required for the formation of Hydrogen self-clusters. Our predictions showed excellent agreement with the experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
-
Hydrogen Bubble nucleation by self-clustering: Density Functional Theory and statistical models studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Jie Hou, Xiang-shan Kong, Yu-wei You, Changsong Liu, Jingjing Sun, Jun SongAbstract:Low-energy Hydrogen irradiation is known to induce Bubble formation in tungsten, while its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behavior of Hydrogen in tungsten. Unlike previous speculations that Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogens, we demonstrated that Hydrogen self-cluster becomes more favorable as the cluster size increases. We found that Hydrogen atoms would form two-dimensional platelet-like structures along {100} planes. These Hydrogen self-clustering behaviors can be quantitative understood by the competition between long-ranged elastic attraction and local electronic repulsion. Further statistical analysis showed that there exists a critical Hydrogen concentration above which Hydrogen self-clusters are thermodynamically stable and kinetically feasible. Based on this critical Hydrogen concentration, the plasma loading conditions under which Hydrogen self-clusters form were predicted. Our predictions showed excellent agreement with experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
-
The role of impurity oxygen in Hydrogen Bubble nucleation in tungsten
Journal of Nuclear Materials, 2012Co-Authors: Xiang-shan Kong, Yu-wei You, Qianfeng Fang, Changsong Liu, Jun-ling Chen, G.-n. Luo, Bicai Pan, Zhiguang WangAbstract:Abstract The impurity role for Hydrogen Bubble nucleation is investigated based on first-principles studies of the interaction between impurities (oxygen and carbon), Hydrogen and vacancy in tungsten. A new mechanism of Hydrogen Bubble nucleation is proposed: the interstitial oxygen atom traps multiple Hydrogen atoms inducing the appearance of some unstable lattice sites nearby, where the initial vacancy can be created to form vacancy–oxygen–Hydrogen complex, whose formation energy is so low that abundant vacancy–oxygen–Hydrogen complexes could survive and thus the Hydrogen Bubble nucleates. This mechanism could provide a sound explanation for the Hydrogen Bubble nucleation in tungsten (with quite low vacancy concentration) exposed to low-energy (far lower than displacement threshold energy) deuterium ions irradiation. The proposed mechanism should be generally applicable for Hydrogen Bubble nucleation in other metals with low vacancy concentration.
Xiang-shan Kong - One of the best experts on this subject based on the ideXlab platform.
-
Hydrogen Bubble nucleation by self clustering density functional theory and statistical model studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Xiang-shan Kong, Yu-wei You, Jie Hou, Jingjing Sun, C S Liu, Jun SongAbstract:Low-energy, high-flux Hydrogen irradiation is known to induce Bubble formation in tungsten, but its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behaviour of Hydrogen in tungsten. Unlike previous speculations that the Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogen atoms, we found that 2D platelet-like Hydrogen self-clusters could form at high Hydrogen concentrations. The attractive binding energy of the Hydrogen self-cluster becomes larger as the cluster size increases and plateaus at 0.38 eV/H around size of 40. We found that Hydrogen atoms would form 2D platelet-like structures along planes. These Hydrogen self-clustering behaviours can be quantitatively understood by the competition between long-ranged elastic attraction and local electronic repulsion among Hydrogens. Further analysis showed Hydrogen self-clusters to be kinetically feasible and thermodynamically stable above a critical Hydrogen concentration. Based on this critical Hydrogen concentration, we predicted the Hydrogen irradiation condition required for the formation of Hydrogen self-clusters. Our predictions showed excellent agreement with the experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
-
Hydrogen Bubble nucleation by self-clustering: Density Functional Theory and statistical models studies using tungsten as a model system
Nuclear Fusion, 2018Co-Authors: Jie Hou, Xiang-shan Kong, Yu-wei You, Changsong Liu, Jingjing Sun, Jun SongAbstract:Low-energy Hydrogen irradiation is known to induce Bubble formation in tungsten, while its atomistic mechanisms remain little understood. Using first-principles calculations and statistical models, we studied the self-clustering behavior of Hydrogen in tungsten. Unlike previous speculations that Hydrogen self-clusters are energetically unstable owing to the general repulsion between two Hydrogens, we demonstrated that Hydrogen self-cluster becomes more favorable as the cluster size increases. We found that Hydrogen atoms would form two-dimensional platelet-like structures along {100} planes. These Hydrogen self-clustering behaviors can be quantitative understood by the competition between long-ranged elastic attraction and local electronic repulsion. Further statistical analysis showed that there exists a critical Hydrogen concentration above which Hydrogen self-clusters are thermodynamically stable and kinetically feasible. Based on this critical Hydrogen concentration, the plasma loading conditions under which Hydrogen self-clusters form were predicted. Our predictions showed excellent agreement with experimental results of Hydrogen Bubble formation in tungsten exposed to low-energy Hydrogen irradiation. Finally, we proposed a possible mechanism for the Hydrogen Bubble nucleation via Hydrogen self-clustering. This work provides mechanistic insights and quantitative models towards understanding of plasma-induced Hydrogen Bubble formation in plasma-facing tungsten.
-
The role of impurity oxygen in Hydrogen Bubble nucleation in tungsten
Journal of Nuclear Materials, 2012Co-Authors: Xiang-shan Kong, Yu-wei You, Qianfeng Fang, Changsong Liu, Jun-ling Chen, G.-n. Luo, Bicai Pan, Zhiguang WangAbstract:Abstract The impurity role for Hydrogen Bubble nucleation is investigated based on first-principles studies of the interaction between impurities (oxygen and carbon), Hydrogen and vacancy in tungsten. A new mechanism of Hydrogen Bubble nucleation is proposed: the interstitial oxygen atom traps multiple Hydrogen atoms inducing the appearance of some unstable lattice sites nearby, where the initial vacancy can be created to form vacancy–oxygen–Hydrogen complex, whose formation energy is so low that abundant vacancy–oxygen–Hydrogen complexes could survive and thus the Hydrogen Bubble nucleates. This mechanism could provide a sound explanation for the Hydrogen Bubble nucleation in tungsten (with quite low vacancy concentration) exposed to low-energy (far lower than displacement threshold energy) deuterium ions irradiation. The proposed mechanism should be generally applicable for Hydrogen Bubble nucleation in other metals with low vacancy concentration.
