Equilibrium and Diffusion Characteristics of Self-Point Defects in Vanadium

Романов, В. А.; Sivak, A.B.; Sivak, P.A.; Чернов, В. М.

doi:10.21517/0202-3822-2012-35-2-60-80

Cited by 6 publications

(11 citation statements)

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“…The directions, densities, and radius of absorption of NILSs are in agreement with the dislocation sinks (DSs) interacting with SPDs. The values of SPD dipole tensors needed for the calculations were obtained in [6,[16][17][18] via the molecular static method. The crystallographic (right) coordinate sys tem will be used throughout the paper.…”

Section: Computational Methods and Parametersmentioning

confidence: 99%

“…The elastic constants C 11 , C 12 , and C 44 and the lat tice parameter a used for calculating the elastic dislo cation fields correspond to the magnitudes provided by the interatomic interaction potentials [17,18], and are reported in [6,[16][17][18]. The crystallographic char acteristics and designations of the considered disloca tions are shown in Table 1.…”

Section: Computational Methods and Parametersmentioning

confidence: 99%

“…The screw and edge dislocations with the 1/2〈111〉 and 〈100〉 Burgers vec tors were considered in the 〈111〉{110}, 〈111〉{112}, 〈100〉{100}, and 〈100〉{110} slip systems. The energies of elastic interaction of SPDs with dislocations were calculated within the anisotropic linear theory of elas ticity, and the point defect characteristics (the param eters of elastic dipoles) at stable and metastable posi tions evaluated via molecular statistics [6,[16][17][18] were used. The linear sinks not interacting with SPDs and…”

Section: Effect Of the Dislocation Density On The Dislocation Sink Efmentioning

confidence: 99%

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Dislocation sinks efficiency for self-point defects in iron and vanadium crystals

Sivak

Романов

et al. 2015

Inorg. Mater. Appl. Res.

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The effect of the dislocations stress fields on their sink efficiency for self point defects (interstitial atoms and vacancies) is studied in the temperature range of 293-1000 K and at the dislocation density values of 1 × 10 12 -3 × 10 14 m -2 in body centered cubic (BCC) iron and vanadium crystals. Straight screw and edge dislocations in 〈111〉{110}, 〈111〉{112}, 〈100〉{100}, and 〈100〉{110} slip systems are considered. Defect diffu sion is simulated via the object kinetic Monte Carlo method. The energies of the interaction of defects with dislocations are calculated within the anisotropic linear theory of elasticity. The dislocation sink efficiency is analytically represented as a function of temperature and dislocation density.

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Section: Computational Methods and Parametersmentioning

confidence: 99%

Section: Computational Methods and Parametersmentioning

confidence: 99%

Section: Effect Of the Dislocation Density On The Dislocation Sink Efmentioning

confidence: 99%

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Dislocation sinks efficiency for self-point defects in iron and vanadium crystals

Sivak

Романов

et al. 2015

Inorg. Mater. Appl. Res.

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“…The importance of interstitial mechanism for radiation-induced segregation in Fe-Cr alloys have been also shown earlier in paper [15]. There are a number of articles in the world literature devoted to the study of the SIAs and their clusters migration in bcc metals, including α-iron [21][22][23][24][25][26][27][28][29]. The most useful method of this study is atomistic simulation based on the molecular dynamics (MD) method [30].…”

Section: Introductionmentioning

confidence: 65%

MD simulation of vacancy and interstitial diffusion in FeCr alloy

Тихончев

2023

Phys. Scr.

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The diffusion mobility of iron and chromium atoms in Fe-9%Cr and Fe-20%Cr alloys for temperature up to 1000 K has been studied by molecular dynamics simulation. Both vacancy and interstitial migration of atoms has been considered. Corresponding diffusion coefficients of iron and chromium atoms, as well as the diffusion coefficients of a vacancy and self-interstitial configuration, have been evaluated. The values obtained for the vacancy diffusion satisfactory agree with experimental results taken from the literature.

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“…The techniques used for MD simulation of diffusion trajectories of defects in this study closely follow the techniques described in the review paper [14]. The simulation was carried out using the interatomic interaction potentials from [7] and [15] for Fe and V, respectively. They describe well the set of experimental data on the bulk properties of crystals and their intrinsic point defects [16].…”

Section: Molecular Dynamics Modelmentioning

confidence: 99%

Diffusion of Bi-Interstitials in the Fe and V BCC Metals Subjected to Different Types of External Loads

Demidov

Sivak

2021

Phys. Metals Metallogr.

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Anisotropic diffusion of radiation defects in fields of elastic strains created by external loads has a substantial effect on the radiation deformation of crystals (for example, radiation creep); therefore, it is necessary to know how to determine the effect of external elastic fields on the diffusion characteristics of radiation defects in order to develop physical models of crystal deformation under damaging irradiation. In this study, methods are developed for molecular dynamics simulation of the diffusion of radiation defects in bcc crystals subjected to various types of loads (hydrostatic and shearing loads) and for determining the diffusion characteristics of defects by the calculated diffusion trajectories. These methods were used to calculate the effect of external hydrostatic and shearing strains (in the range from -1 to + 1%) on the diffusion tensor of bi-interstitials in the Fe and V bcc metals in the temperature range of 350-800 K. Tensors of bi-interstitials and effective dipole tensors of saddle configurations of bi-interstitials in Fe and V are determined from the strain dependences of the diffusion tensor.

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Equilibrium and Diffusion Characteristics of Self-Point Defects in Vanadium

Cited by 6 publications

References 50 publications

Dislocation sinks efficiency for self-point defects in iron and vanadium crystals

Dislocation sinks efficiency for self-point defects in iron and vanadium crystals

MD simulation of vacancy and interstitial diffusion in FeCr alloy

Diffusion of Bi-Interstitials in the Fe and V BCC Metals Subjected to Different Types of External Loads

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