Formation of Point Defect Clusters in Metals with Grain Boundaries under Irradiation

Zolnikov, Konstantin; Korchuganov, A. V.; Крыжевич, Д. С.; Чернов, В. М.; Psakhie, S. G.

doi:10.1134/s1029959919050023

Cited by 30 publications

(3 citation statements)

References 37 publications

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“…This is echoed by the fact t grain boundary could trap defects but preferentially trap interstitials [31][32][33]. Th nomenon has also been observed in W [34], Mo [35], Fe-Cr alloys [36] and Fe [37]. M ver, the time for stabilization of the irradiation damage in the grain boundary sy longer than in bulk Fe, which is attributed to the preferential sink property of th boundary over point defects.…”

Section: Cascade Simulation Of Bcc-fe With Grain Boundarymentioning

confidence: 95%

Molecular Dynamics Simulations of Displacement Cascades in BCC-Fe: Effects of Dislocation, Dislocation Loop and Grain Boundary

Lin,

Cui,

Nie

et al. 2023

Materials

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The interactions between displacement cascades and three types of structures, dislocations, dislocation loops and grain boundaries, in BCC-Fe are investigated through molecular dynamics simulations. Wigner–Seitz analysis is used to calculate the number of point defects induced in order to illustrate the effects of three special structures on the displacement cascade. The displacement cascades in systems interacting with all three types of structure tend to generate more total defects compared to bulk Fe. The surviving number of point defects in the grain boundary case is the largest of the three types of structures. The changes in the atomic structures of dislocations, dislocation loops and grain boundaries after displacement cascades are analyzed to understand how irradiation damage affects them. These results could reveal irradiation damage at the microscale. Varied defect production numbers and efficiencies are investigated, which could be used as the input parameters for higher scale simulation.

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Section: Cascade Simulation Of Bcc-fe With Grain Boundarymentioning

confidence: 95%

Molecular Dynamics Simulations of Displacement Cascades in BCC-Fe: Effects of Dislocation, Dislocation Loop and Grain Boundary

Lin,

Cui,

Nie

et al. 2023

Materials

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“…Displacements of atoms leading to the formation of a large number of crystal lattice defects including vacancies are initiated by the introduction of beam particles into the base material [27,28]. The thickness of the layer, saturated with defects and consequently hardened, is many times greater than the particle penetration depth.…”

Section: Noveltymentioning

confidence: 99%

The influence of vacancy generation on the impurity distribution in the target under the conditions of surface treatment by a particle beam

Parfenova

Knyazeva

2023

Z Angew Math Mech

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The paper presents a nonlinear coupled isothermal model of the process of surface treatment by a particle beam. The model takes into account the interaction between the diffusion of impurity and propagation of mechanical disturbances, as well as the transfer of the introduced impurity with the vacancy mechanism and under the action of stresses. The nonlinear problem is solved numerically using an implicit symmetric difference scheme of the second order approximation in time and spatial coordinates. The finite time of mass flux relaxation and the dependence of diffusion coefficient on the composition and on the concentration of vacancies lead to peculiarities in the propagation of both the concentration wave and the wave of mechanical disturbances. Vacancy generation contributes to the acceleration of impurity propagation and increased strain/stresses.

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“…Fracture processes are associated with crack initiation and growth in materials subjected to various complex combinations of mechanical, thermal and chemical loads. Despite the fact that fractures can occur at different scale levels, they always originate at the atomic scale as a result of local structural transformations caused by stress redistributions within the material [1][2][3][4]. The development of fractures at the atomic scale is accompanied by the breaking of atomic bonds and emission of dislocations/twins from the tips of nanocracks.…”

Section: Introductionmentioning

confidence: 99%

Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal

2021

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This paper presents a molecular dynamics study of how the localization and transfer of excess atomic volume by structural defects affects the evolution and self-healing of nanosized cracks in bcc iron single crystals under different mechanical loading conditions at room temperature. It is shown that deformation is initially accompanied by a local growth of the atomic volume at the crack tips. The crack growth behavior depends on whether the excess atomic volume can be transferred by structural defects from the crack tips to the free surface or other interfaces. If an edge crack is oriented with respect to the loading direction so that dislocations are not emitted from its tip or only twins are emitted, then the sample undergoes a brittle-ductile fracture. The transfer of the excess atomic volume by dislocations from the crack tips prevents the opening of edge cracks and is an effective healing mechanism for nanocracks in a mechanically loaded material.

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Formation of Point Defect Clusters in Metals with Grain Boundaries under Irradiation

Cited by 30 publications

References 37 publications

Molecular Dynamics Simulations of Displacement Cascades in BCC-Fe: Effects of Dislocation, Dislocation Loop and Grain Boundary

Molecular Dynamics Simulations of Displacement Cascades in BCC-Fe: Effects of Dislocation, Dislocation Loop and Grain Boundary

The influence of vacancy generation on the impurity distribution in the target under the conditions of surface treatment by a particle beam

Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal

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