Alloy phase diagrams using temperature, concentration and density as variables

Zolnikov, Konstantin; Псахье, С. Г.; Панин, В. Е.

doi:10.1088/0305-4608/16/8/027

Cited by 28 publications

(13 citation statements)

References 8 publications

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“…3b). It should be noted that the local increase of the atomic volume may lead to the formation of a new phase in the material [14,15]. In the present work the size of the crater on the (111) surface and the vacancy cluster near the (110) surface was estimated and expressed in the number of vacancies.…”

Section: Resultsmentioning

confidence: 91%

Atomistic simulation of structural damage during ion irradiation of iron single crystals

Korchuganov

Zolnikov

Крыжевич

2017

J. Phys.: Conf. Ser.

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Abstract. The evolution of atomic displacement cascades initiated near free surfaces with different crystallographic orientations in bcc iron specimens was studied on the base of the molecular dynamics approach. The craters surrounded by adatom mounds were formed in the case of the (111) surface irradiation. The dislocation loops consisted of vacancies were generated after the (110) surface irradiation. The dislocation Burgers vector was a/2 <111> or a <100>. It was shown that the type of structural damage is determined by the anisotropy of propagation of shock waves generated by atomic displacement cascades. For energies of the atomic displacement cascade lower than 20 keV the number of adatoms and survived point defects was higher for specimen with the (110) free surface due to the different character of surface damage. The increase in the cascade energy up to 20 keV results in formation of almost the equal number of survived point defects for the (110) and (111) free surfaces as displacement cascades were developed on larger distance from the irradiated surfaces.

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Section: Resultsmentioning

confidence: 91%

Atomistic simulation of structural damage during ion irradiation of iron single crystals

Korchuganov

Zolnikov

Крыжевич

2017

J. Phys.: Conf. Ser.

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“…The tasks set in the work were solved on the basis of the molecular dynamics method [11][12][13][14][15][16]. The simulation was carried out using LAMMPS software package [17].…”

Section: Methods and Setupmentioning

confidence: 99%

Features of structural changes in the near-surface aluminum layer under various schemes of ion implantation

Крыжевич¹,

Zolnikov²,

Korchuganov³

2017

AIP Conference Proceedings

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Abstract. The molecular dynamics simulation of structural rearrangements in the surface layer of aluminum samples under ion implantation of various intensities was carried out. The features of the internal structure and the crystallographic orientation of the irradiated crystallite were taken into account. To describe the interatomic interaction many-body potentials obtained in the framework of the embedded atom method were used. Irradiation of the {100} surface results in much less number of formed defects than irradiation of the {110} and {111} ones. When irradiating surfaces with beams of relatively low energy grains remain unchanged in the surface region and the formation of stacking faults was not observed. At a high intensity of irradiation, the near-surface layer of the crystallite melts. In the absence of heat removal, the centers of crystallization become grains lying on the boundary of the solid and liquid phases. Those grains increase due to the adjustment of the atoms of the liquid phase to their lattice. As a result, the grain size in the near-surface region increases.

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“…Periodic boundary conditions were used in the direction of the cylinder axis, and the free surface was modeled in other directions. The tasks were solved in the framework of the molecular dynamics method [9][10][11][12][13]. The simulation was carried out using the LAMMPS software package [14].…”

Section: Methods and Setupmentioning

confidence: 99%