Моделирование ближнего порядка аморфных сплавов металл-металлоид
Journal Title: Математичне моделювання - Year 2017, Vol 1, Issue 1
Abstract
MODELING OF THE SHORT–RANGE ORDER AMORPHY ALLOYS OF METAL-METALOID Gulivets A.N., Baskevich A.S. Abstract Amorphous metal alloys metal-metalloid possess a complex of unique physical-chemical properties and are a new class of promising materials of unquestionable theoretical and practical interest. The purpose of this work is to develop and approbate the method of modeling short-range order in amorphous metal alloys on the basis of data from x-ray experiments. Description of the mechanisms of formation of the short-range order of the amorphous state is an important and urgent task necessary for a deeper understanding of the physical processes taking place at the initial stages of solid phase formation, in conditions far from equilibrium, and also for calculating properties, in order to optimize the experiments on obtaining alloys with a given complex of properties. A method for studying the near atomic location in amorphous metal alloys of a metal-metalloid is proposed based on the results of X-ray and acoustic results. Nonequilibrium conditions for the crystallization of alloys are achieved by using extremely high cooling rates or overvoltages in the precipitation. Such conditions for the formation of a solid phase contribute to the fact that the crystal structure does not have time to form in the entire volume, but forms only in the regions of the ordered arrangement of atoms 2-6 nm in size. Numerous experiments have shown that in the amorphous state the short-range order of alloys contains regions of the ordered arrangement of atoms in the form of simple geometric structures similar to crystal structures of b.c.c. and f.c.c. The proposed method of joint modeling of the short-range order of metal-metalloid alloys using the radial arrangement of atoms, the approximation of the main peak of the structural factor, taking into account the speed of sound in the alloy, made it possible to establish the characteristics of the short-range order of alloys: the type of packing of atoms in regions of ordered arrangement of atoms (polyhedron type) the average size of these regions, the volume fraction that they occupy, and also the parameters of the unit cell based on these polyhedron. It is shown that with the help of this technique it is possible to determine the dimensions and shape of the ROAA and also the size of the gaps between them, the parameters of the ROAA lattice, and also the volume fraction of their volume of metal. Simulation showed that in amorphous Cr-C alloys, ROAA are predominantly cuboctahedra, and the gaps between them are filled with amorphizing atoms forming a solid solution in the metal. References [1] Waseda Y. “The structure of liquids, amorphous solids and solid fast ion conductors”, Pergamon Press. Ltd. Progress in Materials Science, vol. 26, pp. 2–122, 1984. [2] Suzuki K., Fujimori C., Hashimoto K. “Amorfnyye metally” [Amorphous metals]. Мoskov, Metallurgy, 1987. 328 p. [3] Kratky O., Pilz I., Schmidt P.I. “Absolute intensity measurement of small-angles X-rays scattering by means of standard sample”, J. Colloid and Interface Sci., vol. 24, pp. 211–215, №1. 1966. [4] Baskevich A.S., Gulivetz A.N., Zabludovsky V.A. “Blizhniy poryadok rentgenovskikh amorfnykh splavov Ni-P i Co-P, poluchennykh impul'snym elektroosazhdeniyem” [Short-range order of X-ray amorphous Ni-P and Co-P alloys obtained by pulsed electrodeposition]. Metallofizika i noveyshiye tekhnologii – Physics of Metals and Advanced Technologies, 2004. Vol.26, no.9, pp. 1151–1161 (in Russian). [5] Baskevich O.S., Gulivetz A.N., Zabludovsky V.O. “Modeling of short-range structure in Ni-P alloys”. Ukr.J.Phys., 2004. Vol.49, no.12., pp. 1196–1199. [6] Ichikava T. “Electron Diffraction Study of the local Atomic Arrangement in Amorphous Iron and Nickel Films”, Phys. Stat.Sol., vol.19(а), pp.707–716, 1973. [7] Mirkin L.I. “Spravochnik po rentgenostrukturnomu analizu polikristallov” [Handbook of X-ray diffraction analysis of polycrystals], Мoscow, Phys.mat.lit., 1961. 864 p. [8] Svergun D.I., Feigin L.A. “Rentgenovskoye i neytronnoye malouglovoye rasseyaniye” [X-ray and neutron small-angle scattering], Мoscow, Phys.mat.lit., 1986. 280 p. [9] Gin'ye A. “Rentgenografiya kristallov” [Radiography of crystals], Мoscow, Phys.mat.giz., 1961. 604 p. [10] Melnik A.B., Perekos A.E., Chuistov K.V. “Issledovaniye struktury amorfnykh splavov na osnove kobal'ta i zheleza” [Investigation of the structure of amorphous alloys based on cobalt and iron]. Metallophysics – Physics of Metals, 1989, vol. 11, no.6, pp. 93–95 (in Russian). [11] Dutchak YA.I. “Rentgenografiya zhidkikh metallov” [Radiography of liquid metals]. Lviv, Vishcha school, 1977. 163 p. [12] Chernov A.A., Givargizov I.E., Bagdasarov H.S. “Sovremennaya kristallografiya. Tom 3. Obrazovaniye kristallov” [Modern crystallography]. Vol.3. The formation of crystals]. Мoscow, Nauka, 1980. 407 p.
Authors and Affiliations
А. Н. Гуливец, А. С. Баскевич
Keywords
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