Расчет термодинамических характеристик системы Fe-P методом молекулярной динамики
Abstract
Keywords
About the Authors
Артем МаркидоновRussian Federation
Дмитрий Лубяной
Russian Federation
Виктор Коваленко
Russian Federation
Михаил Старостенков
Russian Federation
References
1. Daud A.D., Semin A.E., Kotel'nikov G.I., Shchukina L.E. Dephosphorization of chromium melts using rare earth metal oxides. Izvestiya vysshikh uchebnykh zavedenii. Chernaya metallurgiya. 2017, vol.60, no.1, pp.54-59. (In Russ).
2. Robei R., Uaitkhed M. Introduced treatment of pig iron, taking into account specific production conditions. MRT. Metallurgicheskoe proizvodstvo i tekhnologiya metallurgicheskikh protsessov. 2014, no.1, pp.16-24. (In Russ).
3. Georgadze A.G., Gerner V.I., Elashvili M.I., Nikiforov P.A., Pletnev A.N., Smirnov S.A. Conditions for the dephosphorization of the liquid metal in the casting ladle. Lit'e i metallurgiya. 2012, no.3(67), pp.117-119. (In Russ).
4. Starostenkov M.D., Potekaev A.I., Grinkevich L.S., Kulagina V.V., Markidonov A.V. Dynamics of edge dislocations in a low-stability fcc-system irradiated by high-energy particles. Russian Physics Journal. 2017, vol.59, no.9, pp.1446-1453.
5. Markidonov A.V., Starostenkov M.D., Smirnova M.V. Self-diffusion process in an FCC crystal caused by the passage of a shock wave. Russian Physics Journal. 2015, vol.58, no.6, pp.828-832.
6. Markidonov A.V., Starostenkov M.D., Poletaev G.M. Transformation of nanopores in gold under conditions of thermoactivation and the effects of acoustic and shock waves. Bulletin of the Russian Academy of Sciences: Physics. 2015, vol.79, no.9, pp.1089-1092.
7. Markidonov A.V., Starostenkov M.D., Tabakov P.Y. Splitting vacancy voids in the grain boundary region by a post-cascade shock wave. Materials Physics and Mechanics. 2013, vol.18, no.2, pp.148-155.
8. Cherkaoui M., Capolungo L. Atomistic and Continuum Modeling of Nanocrystalline Materials: Deformation Mechanisms and Scale Transition. New York: Springer Science & Business Media, 2010, 480 p.
9. Daw M. S., Baskes M.I. Embedded-atom method: Derivation and application to impurities and other defects in metals. Physical Review B. 1984, vol.29, no.12, pp.6443-6453.
10. Foiles S.M., Baskes M.I., Daw M.S. Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Physical Review B. 1986, vol.33, no.12, pp.7983-7991.
11. Ackland G.J., Mendelev M.I., Srolovitz D.J., Han S., Barashev A.V. Development of an interatomic potential for phosphorus impurities in α-iron. Journal of Physics: Condensed Matter. 2004, vol.16, pp.2629-2642.
12. Ko W.-S., Kim N.-J., Lee B.-J. Atomistic modeling of an impurity element and a metal–impurity system: pure P and Fe–P system. Journal of Physics: Condensed Matter. 2012, vol.14, pp.225002-225016.
13. Andersen H.C. Molecular dynamics simulations at constant pressure and/or temperature. The Journal of Chemical Physics. 1980, vol.72, no.4, pp.2384-2393.
14. Grigor'ev I.S., Meilikhov E.Z. Physical quantities: reference book. Moscow: Energoatomizdat, 1991, 1232 p. (In Russ).
15. Belonoshko A.B., Skorodumova N.V., Rosengren A., Johansson B. Melting and critical superheating. Physical Review B. 2006, vol.73, pp.0122011-0122013.
16. Mazhukin V.I., Shapranov A.V., Perezhigin V.E., Koroleva O.N., Mazhukin A.V. Kinetic melting and crystallization stages of strongly superheated and supercooled metals. Mathematical Models and Computer Simulations. 2017, vol.9, no.4, pp.448-456.
17. Yang H., Lu Y., Chen M., Guo Z. A molecular dynamics study on melting point and specific heat of Ni3Al alloy. Science in China. Series G: Physics, Mechanics & Astronomy. 2007, vol.50, no.4, pp.407-413.
18. Table of physical quantities: reference book / pod red. akad. I.K. Kikoina. Moscow: Atomizdat, 1976, 1008 p. (In Russ).
19. Zaitsev I.D., Zozulya A.F., Aseev G.G. Machine calculation of physico-chemical parameters of inorganic substances. Moscow: Khimiya, 1983, 256 p. (In Russ).
20. Zinov'ev V.E. Thermophysical properties of metals at high temperatures: reference book. Moscow: Metallurgiya, 1989, 384 p. (In Russ).
Supplementary files
![]() |
1. Рекомендация кафедры | |
Subject | ||
Type | Other | |
Download
(632KB)
|
Indexing metadata ▾ |
![]() |
2. Лицензионный договор (ru) | |
Subject | ||
Type | Other | |
Download
(2MB)
|
Indexing metadata ▾ |
![]() |
3. Лицензионный договор (en) | |
Subject | ||
Type | Other | |
Download
(1MB)
|
Indexing metadata ▾ |
Review
For citations:
, , , . Izvestiya. Ferrous Metallurgy. 2019;62(9).