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In this work, we develop a phase-field model to simulate the growth behaviors of the dislocation loop in irradiated tungsten. The model considers the fact that plenty of defect clusters such as dislocation loops and voids are formed by the diffusion and aggregation of self-interstitial atoms (SIAs) and vacancies created by cascade collision damages. The stable void phase and plate-like morphology of the dislocation loop can be reproduced. We then study the effects of the concentration of SIAs, kinetic coefficient, lattice misfit strain energy, applied shear stress, and the type of the dislocation loop on the growth behaviors of the dislocation loops. It is found that the growth rate of the dislocation loop increases with increasing the concentration of SIAs, kinetic coefficient, and applied stress. The current results can help to understand the growth behaviors of dislocation loops in irradiated W and other irradiated materials. [ABSTRACT FROM AUTHOR]

In irradiated tungsten (W), the formation of numerous helium (He) bubbles has a significant impact on the diffusion behaviors of hydrogen (H) isotopes. To investigate the influence of the microstructure of He bubbles on the diffusion behaviors of deuterium (D), we utilize the reconstructed experimental data, the phase-field method, and the steady-state diffusion equation to calculate the effective diffusion coefficients of D based on four possible diffusion paths, i.e., D atoms diffuse in the bulk W, inside the He bubbles, and along the outer and inner surface of He bubbles. Simulation results based on the reconstructed depth-dependent distribution of He bubbles reveal that the diffusion paths remarkably affect the effective diffusion coefficient of D. By varying the radius and number density of He bubbles, the effective diffusion coefficient of D undergoes significant changes. Subsequently, we fit an empirical formula of the effective diffusion coefficient of D as a function of the radius and number density of He bubbles for different diffusion paths of D based on simulation data. Besides, the growth behaviors of He bubbles are simulated by the phase-field model, and the effective diffusion coefficient of D as a function of the evolutionary time for different diffusion paths is also discussed. At last, we investigate the influence of the D concentration and temperature on the effective diffusion coefficient of D along different diffusion paths. These results indicate that the effective diffusion coefficient of D increases with decreasing the D concentration and increasing the temperature for four diffusion paths. The current study provides a reference for investigating the diffusion behaviors of D in W in the presence of He bubbles, and may benefit the efforts of developing low D retention W-based materials. [ABSTRACT FROM AUTHOR]

Tungsten (W) is considered to be the most promising plasma-facing material in fusion reactors. During their service, severe irradiation conditions create plenty of point defects in W, which can significantly degrade their performance. In this work, we first employ the molecular static simulations to investigate the interaction between a 1/2[111] dislocation loop and a vacancy-type defect including a vacancy, di-vacancy, and vacancy cluster in W. The distributions of the binding energies of a 1/2[111] interstitial and vacancy dislocation loop to a vacancy along different directions at 0 K are obtained, which are validated by using the elasticity theory. The calculated distributions of the binding energies of a 1/2[111] interstitial dislocation loop to a di-vacancy and a vacancy cluster, showing a similar behavior to the case of a vacancy. Furthermore, we use the molecular dynamics simulation to study the effect of a vacancy cluster on the mobility of the 1/2[111] interstitial dislocation loop. The interaction is closely related to the temperature and their relative positions. A vacancy cluster can attract the 1/2[111] interstitial dislocation loop and pin it at low temperatures. At high temperatures, the 1/2[111] interstitial dislocation loop can move randomly. These results will help us to understand the essence of the interaction behaviors between the dislocation loop and a vacancy-type defect and provide necessary parameters for mesoscopic scale simulations. [ABSTRACT FROM AUTHOR]

Atomistic simulations were employed to investigate the stress field spatial distributions, strain energy of the 1/2 〈1 1 1〉 {1 1 0} edge dislocation, and the binding energies between the edge dislocation and the point defects in tungsten, based on two different embedded-atom method (EAM) potentials. The basic static properties are consistent with the elastic theory of dislocations for these two potentials. Comparatively speaking, the map of the binding energy between the edge dislocation and the monovacancy illustrates that the results based on the Marinica's potential fits better with the elastic theory. In addition, we obtained the radii of absorption between the point defects and the edge dislocation in the slip plane (the maximum value is 19 Å for the monovacancy, while 34 Å for the self-interstitial atom (SIA)) at 0 K. By calculating the binding energy and the interaction radii, we found the intensity of the interaction between the SIA and the edge dislocation is stronger than that of the vacancy and the edge dislocation. [ABSTRACT FROM AUTHOR]

• The crack tip is blunted and the crack propagation rate is reduced in W at high temperatures. • The crack propagation rate decreases as the strain rate increased due to the emission of dislocations from the crack tip in W, regardless of the presence of H. • H atoms in the vicinity of the crack tip can hinder the propagation of the crack at low temperatures, while they can promote the propagation of the crack at high temperatures. Tungsten (W) is regarded as a viable choice for plasma-facing materials in nuclear fusion reactors. However, its mechanical properties are significantly degraded by hydrogen (H) atoms during irradiation, of which the mechanism is still elusive. In this study, we conduct molecular dynamics (MD) simulations to study the impact of H atoms on the propagation of a crack in single crystal W. The results show that the propagation rate of the crack slows down with increasing temperature. This is due to the enhanced plastic deformation, leading to blunting of the crack tip. A pre-existing crack in W is then considered at various temperatures and uniaxial applied tensile strain conditions. The propagation rate of the crack decreases with the increase of the applied tensile strain rate. This phenomenon occurs due to the relaxation of the stress around the crack tip following the emission of the dislocation at high strain rates. After introducing H atoms, it can be observed that at low temperatures, H impedes the propagation of the crack, while at high temperatures, H promotes it. This is primarily due to the formation of voids at the slip traces of dislocations and the reduction in surface energy. Additionally, the crack tip becomes blunted and its propagation rate decreases with increasing strain rate. These results indicate that providing sufficient time for H atoms to migrate is a key factor affecting the mechanical properties of W. The current results provide valuable insights into understanding the interaction mechanism of a crack and H atoms in W. [ABSTRACT FROM AUTHOR]

Incident neutrons in irradiated W can cause the formation of solid transmutation elements, of which Rhenium (Re) is the most abundant. We apply the phase-field method to investigate the clustering and growth of the Re-rich precipitate in irradiated W based on the spinodal decomposition mechanism, and their effects on the mechanical and thermal properties of W. Needle-like precipitates are reproduced and comparable to experimental observations. We then vary the irradiation dose and temperature to study their influences on the microstructure evolution of the Re-rich precipitate. Simulation results show that the average diameter, the number density, and the coverage rate of the precipitates significantly increase with the increase of the irradiation doses but slightly increase with the increase of the temperature. The effects of the Re-rich precipitate on the mechanical and thermal properties of W are also investigated. Results show that the Vickers hardness increase and the thermal conductivity degrade due to the formation of the Re-rich precipitate, especially at high irradiation doses. Conventional simulation methods can hardly handle the effect of the needle-like precipitates on the mechanical and thermal properties. In this work, we compare these two properties by using needle-like precipitates and circular precipitates. Our results clearly show that the needle-like precipitates give a better consistency with experimental results of the Vickers hardness increase, and reveal the anisotropic ability of the heat transfer in neutron-irradiated W. The current results can provide a systematic understanding of the Re clustering behavior from the microstructure evolution to its influences on the mechanical and thermal properties of W materials. [ABSTRACT FROM AUTHOR]