journal article·2025-01

The capacity of disclinated non-equilibrium GBs to accommodate point defects in tungsten

Yingchong Xu, Hongxian Xie, Guang-Hong Lu

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Abstract

Experimental observations reveal that disclinated non-equilibrium grain boundaries (GBs) exist extensively in polycrystalline metals; however, the interaction between these GBs and irradiation-induced point defects is rarely reported. In the present work, Molecular statics simulation was used to evaluate the capacity of disclinated non-equilibrium GBs to accommodate point defects in tungsten. Simulation results showed that disclinated non-equilibrium GBs are more efficient sinks for point defects than their equilibrium counterparts because of long-range stress field around them. Continuous segregation of point defects will change the structure of the disclinated non-equilibrium GBs and leads to the GBs tending to relax to equilibrium state. According to theoretical calculation, the disclinated non-equilibrium GBs can absorb a large number of point defects before transforming into equilibrium state; therefore, disclinated non-equilibrium GBs have very strong capacity to accommodate point defects and can be used as strong defect sinks for developing radiation resistance materials.
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Research context

OpenAlex topics: Advanced materials and composites · Welding Techniques and Residual Stresses · Microstructure and mechanical properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (55)

Show source-provided references
1. Effect of grain boundary character on sink efficiency[J]10.1016/j.actamat.2012.08.009 ↗
2. Effect of grain boundary on the mechanical behaviors of irradiated metals: a review[J]10.1007/s11433-015-0486-5 ↗
3. Grain size effect on radiation tolerance of nanocrystalline Mo[J]10.1016/j.scriptamat.2016.06.007 ↗
4. Grain boundary strain as a determinant of localized sink efficiency[J]10.1016/j.actamat.2022.117624 ↗
5. Effect of grain boundary stresses on sink strength[J]10.1080/21663831.2013.871588 ↗
6. Stress of misfit dislocation at Fe/MgO interface drives the annihilation of radiation induced defects[J]10.1016/j.actamat.2021.116798 ↗
7. Atomistic simulation of interaction between wedge disclination and self-interstitial atom in bcc tungsten[J]10.1016/j.jnucmat.2020.152460 ↗
8. Interaction between disclinated non-equilibrium grain boundaries and radiation-induced interstitial/vacancy in tungsten[J]10.1088/1741-4326/ac90d6 ↗
9. High strength and high ductility achieved in a heterogeneous lamella-structured magnesium alloy[J]10.1080/21663831.2022.2133976 ↗
10. Triple junction disclinations in severely deformed Cu–0.4% Mg alloys[J]10.1016/j.actamat.2023.119600 ↗
11. On the relevance of generalized disclinations in defect mechanics[J]10.1016/j.jmps.2018.06.020 ↗
12. Dislocations and disclinations in material structures: the basic topological concepts[J]10.1146/annurev.ms.05.080175.000355 ↗
13. Disconnections and other defects associated with twin interfaces[J]10.1016/j.pmatsci.2016.07.003 ↗
14. Crack nucleation at disclinated triple junctions[J]10.1103/PhysRevB.76.134105 ↗
15. Atomic-level observation of disclination dipoles in mechanically milled, nanocrystalline Fe[J]
16. Disclination dipoles observation and nanocrystallization mechanism in ball milled Cu–Nb powders[J]10.1016/j.matlet.2011.06.001 ↗
17. Microstructure and annealing behavior of three rolled pure tungsten plates with different thickness reduction[J]10.1016/j.fusengdes.2021.112863 ↗
18. Recrystallization behavior of pure tungsten hot-rolled with high accumulated strain during annealing at 1250 °C–1350 °C[J]
19. Inhomogeneous deformation substructure and its effect on the recrystallization behavior of yttria dispersion-strengthened tungsten plate[J]
20. Evolution of microstructure and texture of moderately warm-rolled pure tungsten during annealing at 1300 °C[J]10.1016/j.jnucmat.2020.152412 ↗
21. Disclinations and disconnections in minerals and metals[J]10.1073/pnas.1915140117 ↗
22. The role of embedded coordinates for disclinations and disconnection components[J]10.1016/j.actamat.2024.119887 ↗
23. A Lie-algebra-based description of disclination densities and the quantification of partial disclinations in deformed polycrystalline metals[J]10.1016/j.actamat.2023.119176 ↗
24. Deformation-induced grain rotation and grain boundary formation achieved through dislocation-disclination reactions in polycrystalline hexagonal close-packed metals[J]10.1016/j.actamat.2023.118855 ↗
25. Twinning-induced plasticity with multiple twinning modes and disclinations in Mg alloys[J]10.1016/j.ijplas.2023.103595 ↗
26. Transmission electron microscopy analysis of disclination structures in plastically deformed metals[J]10.1016/S0921-5093(01)01307-7 ↗
27. Dislocation boundaries and disclinations formed within the cube-oriented grains during tensile deformation of aluminium[J]10.1016/j.actamat.2010.06.057 ↗
28. Characterization of the cell block structure and disclination configurations in plastically deformed metals by electron diffraction[J]10.1016/j.jallcom.2003.10.085 ↗
29. Ultrasonic treatment of ultrafine-grained titanium[J]10.1016/j.physleta.2020.126906 ↗
30. Molecular dynamics simulation of the relaxation of a grain boundary disclination dipole under ultrasonic stresses[J]
31. Molecular dynamics simulation of the effect of ultrasonic vibrations on the structure of nonequilibrium [112]tilt grain boundaries in nickel[J]
32. Achieving radiation tolerance through non-equilibrium grain boundary structures[J]10.1038/s41598-017-12407-2 ↗
33. Interplay between intrinsic point defects and low-angle grain boundary in bcc tungsten: effects of local stress field[J]10.1088/0953-8984/27/25/255007 ↗
34. Impact of segregated interstitials on structures and energies of tilt grain boundaries in Mo[J]10.1016/j.commatsci.2015.11.004 ↗
35. Non-coherent Cu grain boundaries driven by continuous vacancy loading[J]10.1007/s10853-015-8961-9 ↗
36. Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defects[J]10.1016/j.actamat.2018.07.051 ↗
37. Structural phase transformations in metallic grain boundaries[J]10.1038/ncomms2919 ↗
38. Predicting phase behavior of grain boundaries with evolutionary search and machine learning[J]10.1038/s41467-018-02937-2 ↗
39. First-principles calculations of transition metal–solute interactions with point defects in tungsten[J]10.1016/j.actamat.2013.11.044 ↗
40. Unprecedented irradiation resistance of nanocrystalline tungsten with equiaxed nanocrystalline grains to dislocation loop accumulation[J]10.1016/j.actamat.2018.11.024 ↗
41. Loop and void damage during heavy ion irradiation on nanocrystalline and coarse grained tungsten: microstructure, effect of dpa rate, temperature, and grain size[J]10.1016/j.actamat.2018.02.035 ↗
42. Effect of high energy ball milling on structure and properties of 95W-3.5 Ni-1.5 Fe heavy alloys[J]10.1016/j.ijrmhm.2017.08.007 ↗
43. Microstructure and mechanical properties of super-strong nanocrystalline tungsten processed by high-pressure torsion[J]10.1016/j.actamat.2006.05.005 ↗
44. Mechanical behavior and dynamic failure of high-strength ultrafine grained tungsten under uniaxial compression[J]
45. Continuum and atomistic studies of a disclinated crack in a bicrystalline nanowire[J]10.1103/PhysRevB.73.045410 ↗
46. Fast parallel algorithms for short-range molecular dynamics[J]10.1006/jcph.1995.1039 ↗
47. New interatomic potentials of W, Re and W-Re alloy for radiation defects[J]10.1016/j.jnucmat.2018.01.059 ↗
48. Chen N., Niu L.L., Zhang Y., et al. Energetics of vacancy segregation to [100]symmetric tilt grain boundaries in bcc tungsten[J]. Sci. Rep., 2016, 6(1): 36955.10.1038/srep36955 ↗
49. Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool[J]10.1088/0965-0393/18/1/015012 ↗
50. The grain-boundary structural unit model redux[J]10.1016/j.actamat.2017.05.002 ↗
51. Disclination model of high angle grain boundaries[J]10.1016/0039-6028(72)90251-8 ↗
52. An energetic and kinetic perspective of the grain-boundary role in healing radiation damage in tungsten[J]10.1088/0029-5515/53/12/123014 ↗
53. Principal physical parameters characterizing the interactions between irradiation-induced point defects and several tilt symmetric grain boundaries in Fe, Mo and W[J]10.1016/j.jnucmat.2013.09.046 ↗
54. The evolution of interaction between grain boundary and irradiation-induced point defects: symmetric tilt GB in tungsten[J]10.1016/j.jnucmat.2017.12.013 ↗
55. Application of disclination concept to solid structures[J]10.1016/j.pmatsci.2009.03.002 ↗