Персона: Воскобойников, Роман Евгеньевич
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Институт ядерной физики и технологий
Цель ИЯФиТ и стратегия развития - создание и развитие научно-образовательного центра мирового уровня в области ядерной физики и технологий, радиационного материаловедения, физики элементарных частиц, астрофизики и космофизики.
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Руководитель научной группы "Математическое и компьютерное моделирование в материаловедении"
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Воскобойников
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Роман Евгеньевич
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- ПубликацияТолько метаданныеMolecular Dynamics Simulations of Surface Collision Cascades in Nickel(2020) Voskoboinikov, R. E.; Воскобойников, Роман Евгеньевич© 2020, Pleiades Publishing, Ltd.Abstract: Collisions cascades initiated by Ni atoms with energies E = 5, 10, 15, and 20 keV on the surface of nickel at temperatures T = 100, 300, 600, 900, and 1200 K were simulated using the molecular dynamics method. To obtain statistically significant values of the number NFP of Frenkel pairs and fractions of vacancies σvac and interstitial atoms σSIA in clusters of point defects as functions of (E, T), representative sampling of 24 collision cascades was generated for all energies of incident particles and irradiation temperatures. It was found that the values of 〈NFP〉, 〈σvac〉, and 〈σSIA〉 averaged over all surface collision cascades with equal (E, T) parameters exceed the corresponding parameters of collision cascades in bulk nickel modeled under identical conditions. Point defects produced in collision cascades on the surface of nickel tend to form clusters. The primary physical mechanism increasing 〈NFP〉, 〈σvac〉, and 〈σSIA〉 in surface cascades is the spatial separation of vacancies and interstitial atoms induced by the elastic interaction of point defects with the free surface.
- ПубликацияТолько метаданныеSimulation of Primary Radiation Damage in Nickel(2020) Voskoboinikov, R. E.; Воскобойников, Роман Евгеньевич© 2020, Pleiades Publishing, Ltd.Abstract: The process of radiation damage formation in collision cascades initiated by primary knock-on atoms (PKAs) with energy EPKA = 5, 10, 15, and 20 keV in nickel at temperatures T = 100, 300, 600, 900, and 1200 K was studied using the molecular dynamics method. To ensure the statistical validity of the results, a series of 24 cascades was modeled for each pair of (EPKA, T) parameters. The simulation results were analyzed to determine the number NFP of Frenkel pairs, fractions of vacancies σvac and interstitial atoms σSIA in clusters of point defects, average sizes of vacancy 〈Nvac〉 and interstitial 〈NSIA〉 clusters, and average numbers of vacancy 〈Yvac〉 and interstitial 〈YSIA〉 clusters produced in collision cascades as functions of the PKA energy and simulation temperature. It was found that the relation 〈NFP〉 = 2 ± 0.9 × E1.1 ± 0.1 ΠBA holds true at all the examined values of (EPKA, T). The functional dependences of 〈σvac〉 and 〈σSIA〉 on EPKA were identical. The dependence of 〈σvac〉 follows that of 〈Yvac〉, while 〈σSIA〉 is governed by 〈NSIA〉 and the mobility of interstitials. The value of 〈Nvac〉 depends on the irradiation temperature and the thermal stability of vacancy clusters. These clusters are stable at T ≤ 300 K, and 〈Nvac〉 ∝ EPKA; at 600 ≤ T ≤ 900 K, 〈Nvac〉 ≈ 6 and 10, which corresponds to the sizes of regular stacking fault tetrahedra. The value of 〈YSIA〉 is proportional to 〈NFP〉 and, consequently, to EPKA in the entire range of PKA energies.
- ПубликацияТолько метаданныеA Study of Primary Damage Formation in Collision Cascades in Titanium(2022) Voskoboinikov, R. E.; Воскобойников, Роман ЕвгеньевичAbstract—Molecular dynamics (MD) simulations were applied to study radiation damage formation in collision cascades initiated by primary knock-on atoms (PKA) with PKA energy EРКА = 5, 10, 15, and 20 keV in α-Ti at T = 100, 300, 600, and 900 K ambient temperatures. A series of 24 collision cascades was simulated for each (EРКА, Т) pair. The necessary sampling set size was justified by a simple a posteriori procedure. The number of Frenkel pairs and the fraction of vacancies, (Formula Presented.), and self-interstitial atoms (SIAs), εi, in point defect clusters were evaluated as functions of (EРКА, Т). It was established that collision cascades in α-Ti are extended along PKA trajectories and tend to split into subcascades. In contrast to other elemental metals with close-packed crystal structure, (Formula Presented.) in collision cascades in α-Ti. Moreover, both (Formula Presented.) demonstrate weak temperature dependence. This is an indirect indication that both vacancy and SIA clusters created in collision cascades in α-Ti are stable in the considered temperature range. © 2022, Pleiades Publishing, Ltd.
- ПубликацияТолько метаданныеMD Simulations of Collision Cascades in α-Ti. The Residual Number of Radiation Defects, Cascade Relaxation Time, and Displacement Cascade Region Morphology(2023) Voskoboinikov, R. E.; Воскобойников, Роман Евгеньевич
- ПубликацияТолько метаданныеMD Simulations of Collision Cascades in α-Ti. Cluster Statistics and Governing Mechanisms of Point Defect Cluster Formation(2023) Voskoboinikov, R. E.; Воскобойников, Роман Евгеньевич
- ПубликацияТолько метаданныеEvaluation of the Threshold Displacement Energy in Fe–Cr Ferritic-Martensitic Steels(2024) Voskoboinikov, R. E.; Воскобойников, Роман Евгеньевич
- ПубликацияТолько метаданныеCalculation of Threshold Displacement Energies in Austenitic Stainless Steels(2024) Voskoboinikov, R. E.; Воскобойников, Роман Евгеньевич