Molecular dynamics simulations of temperature effect on tungsten sputtering yields under helium bombardment

Meng, Qingling; Niu, Lei; Zhang, Ying; Lü, Guang-Hong

doi:10.1007/s11433-017-9109-8

Cited by 7 publications

(3 citation statements)

References 16 publications

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“…Then, the NVE ensemble (constant number of atoms, volume, and total energy) was employed to simulate the dynamic process of the incident PKA. The potential selected in this work is the embedded-atom method potential developed by Marinica [ 32 ], which was successfully applied in many previous works to investigate the defects under the irradiation of W [ 33 , 34 , 35 , 36 , 37 ]. The Open Visualization Tool (OVITO) was used for defect analysis and visualization of the simulation results [ 38 ].…”

Section: Methodsmentioning

confidence: 99%

The Evolution of Structural Defects under Irradiation in W by Molecular Dynamics Simulation

et al. 2023

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Tungsten (W) can be used in plasma-facing components in a fusion reactor because of its excellent radiation resistance. Some studies have found that nanocrystalline metals with a high density of grain boundary show a higher ability to resist radiation damage compared to conventional coarse-grained materials. However, the interaction mechanism between grain boundary and defect is still unclear. In the present study, molecular dynamics simulations were carried out to explore the difference of defect evolution in single-crystal and bicrystal W, while the effects of temperature and the energy of the primary knocked atom (PKA) were taken into account. The irradiation process was simulated at the temperature range of 300 to 1500 K, and the PKA energy varied from 1 to 15 keV. The results show that the generation of defects is more sensitive to the energy of PKA than temperature; the number of defects increases at the thermal spike stage with the increase of the PKA energy, but the correlation with temperature is not strong. The presence of the grain boundary prevented the recombination of interstitial atoms and vacancies during the collision cascades, and the vacancies were more likely to form large clusters than interstitial atoms in the bicrystal models. This can be ascribed to the strong segregation tendency of the interstitial atoms to grain boundaries. The simulations provide useful information for understanding the role of grain boundaries in the evolution of irradiated structural defects.

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Section: Methodsmentioning

confidence: 99%

The Evolution of Structural Defects under Irradiation in W by Molecular Dynamics Simulation

et al. 2023

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“…Molecular dynamics analysis is mainly used to study the mechanism of damage formation. It can be used to simulate the early nucleation of helium atoms in solid material [19][20][21], and it can also be used to simulate the effect of temperature on the processing damage induced by He-FIB [22]. However, in molecular dynamics simulations, the size of the substrate is limited to a range of tens of atoms, so damage formations with a size of several hundred nanometers cannot be simulated.…”

Section: Introductionmentioning

confidence: 99%

An Experiment-Based Profile Function for the Calculation of Damage Distribution in Bulk Silicon Induced by a Helium Focused Ion Beam Process

Chen

Shao

Xing

2020

Sensors

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The helium focused ion beam (He-FIB) is widely used in the field of nanostructure fabrication due to its high resolution. Complicated forms of processing damage induced by He-FIB can be observed in substrates, and these damages have a severe impact on nanostructure processing. This study experimentally investigated the influence of the beam energy and ion dose of He-FIB on processing damage. Based on the experimental results, a prediction function for the amorphous damage profile of the single-crystalline silicon substrate caused by incident He-FIB was proposed, and a method for calculating the amorphous damage profile by inputting ion dose and beam energy was established. Based on one set of the amorphous damage profiles, the function coefficients were determined using a genetic algorithm. Experiments on single-crystalline silicon scanned by He-FIB under different process parameters were carried out to validate the model. The proposed experiment-based model can accurately predict the amorphous damage profile induced by He-FIB under a wide range of different ion doses and beam energies.

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“…As the demand for tungsten and its alloys in engineering and experimental nuclear physics continue to grow, the need for performing more accurate thermo-mechanical testing also increases [1][2][3][4][5][6][7][8][9][10]. The most required metallurgic characteristic in this context is the elevated temperature dynamic elasticity [11][12][13] that helps in developing advanced metallic grads of refractory materials [14][15][16][17][18].…”

Section: Introductionmentioning

confidence: 99%

Young’s modulus of tungsten at elevated temperatures using synchronous laser shadow vibrometry

Ayoub

El-Sherif

Hassan

et al. 2018

The International Conference on Mathematics and Engineering Phy

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This paper presents the use of an improved laser shadowgraphy method for measuring the dynamic elastic moduli of tungsten, from room temperature to near melting point. The method is based on measuring the frequency of impulse induced longitudinal vibration of a tungsten filament, subject to joule heating. The natural resonance frequency of the filament is obtained by lock-in synchronous photo-detection of the laser generated filament shadowgraph. The correlation between the filament natural frequency and its temperature lead to the calculation of shear modulus at variable temperatures, the tensile and bulk modului of tungsten. The results were compared to those obtained by laser Doppler vibrometry of a tungsten wire induced by pulsed current technique. Our method permitted a wider measuring temperature range and an easier calculation procedure. The used setup was simple, non-destructive, non-contacting and accurate, enabling low cost vibrometry measurements that help in future synthesis and test of new grades of refractory materials, deployed as plasma facing material in the latest fusion reactor or super alloys in critical applications.

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Molecular dynamics simulations of temperature effect on tungsten sputtering yields under helium bombardment

Cited by 7 publications

References 16 publications

The Evolution of Structural Defects under Irradiation in W by Molecular Dynamics Simulation

The Evolution of Structural Defects under Irradiation in W by Molecular Dynamics Simulation

An Experiment-Based Profile Function for the Calculation of Damage Distribution in Bulk Silicon Induced by a Helium Focused Ion Beam Process

Young’s modulus of tungsten at elevated temperatures using synchronous laser shadow vibrometry

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