Elastic Properties and Glass Forming Ability of the Zr&lt;sub&gt;50&lt;/sub&gt;Cu&lt;sub&gt;40&lt;/sub&gt;Ag&lt;sub&gt;10&lt;/sub&gt; Metallic Alloy

Khusnutdinoff, R. M.; Мокшин, А. В.

doi:10.4028/www.scientific.net/ssp.310.145

Cited by 4 publications

(4 citation statements)

References 16 publications

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“…Недавние исследования методом молекулярной динамики показали наличие так называемых искаженных икосаэдрических структур в фазе переохлажденного расплава в различных классах жидкостей (чистые переходные металлы, многокомпонентные металлические расплавы, молекулярные жидкости) [2][3][4][5]. Ближний структурный порядок таких систем представляет научный интерес, поскольку считается, что локальная структура расплавов оказывает сильное влияние на его микроскопическую коллективную динамику, вязкоупругие и транспортные свойства, а также стеклообразующую способность вещества [6,7].…”

Section: Introductionunclassified

Процессы Структурообразования В Фуллереновых Смесях

Хуснутдинов¹,

Хайруллина²

2023

Физика Твердого Тела

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Glass formation processes in condensed matter are characterized by some specific short-range order changes in the arrangement of particles (atoms/molecules/ions). So, the short-range structural order in supercooled liquids and glasses is characterized by fivefold symmetry in the arrangement of particles, often referred to as icosahedral (ideal or distorted) short-range order. This article is devoted to the study of local structural features of the supercooled melt of the A20B80 fullerene mixture (where A = C60 and B = C70) obtained under various cooling protocols in order to elucidate the mechanism of formation of the icosahedral short-range order in binary molecular liquids. Comprehensive studies of the properties of a fullerene mixture melt were carried out using large-scale molecular dynamics simulations followed by structural and cluster analysis. The crystallization temperature and the critical glass transition temperature of the system were calculated to be Tm ≈ 1439 K and Tc ≈ 1238 K, respectively. It has been established that the crystallization of a binary fullerene mixture proceeds according to the polycrystalline scenario with the formation of clusters with fcc and hcp symmetries. It is shown that in a supercooled fullerene mixture, the short-range icosahedral order is formed by an insignificant number of ideal icosahedral clusters and a certain set of distorted icosahedral clusters, the fraction of which remains practically unchanged at temperatures below the critical glass transition temperature.

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Section: Introductionunclassified

Процессы Структурообразования В Фуллереновых Смесях

Хуснутдинов¹,

Хайруллина²

2023

Физика Твердого Тела

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“…It was found that the structure of supercooled transition metals is characterized by complex Frank-Kasper polyhedra with coordination numbers z = 14 ÷ 16 [7,8]. The short-range structural order of such melts is a subject of scientific interest, since it is believed that the local structure of melts has a strong effect on its microscopic collective dynamics, transport properties, glassforming ability etc [17][18][19][20][21].…”

Section: Introductionmentioning

confidence: 99%

Is icosahedral short-range order presented in supercooled transition metals?

Khusnutdinoff¹,

Khairullina²,

Suslov³

et al. 2022

J. Phys.: Condens. Matter

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Supercooled transition metals are characterized by the absence of long-range order and the presence of a specifc short-range order in the arrangement of atoms. So, the presence of shoulders and broadenings at the second maximum in the experimentally measured quantity – in the static structure factor S(k) – is usually interpreted as a manifestation of the icosahedral (ideal or distorted) short-range order (ISRO – Icosahedral ShortRange Order). Icosahedral short-range order is a structure with fvefold symmetry in the arrangement of atoms, which can lead to the possibility of achieving deep supercooling. In this work, we study the local structural features of equilibrium and supercooled nickel melts under various cooling protocols in order to clarify the mechanism of formation of the icosahedral short-range order in pure 3d transition metals. Comprehensive studies of the properties of nickel melts were carried out using experiments on X-ray diﬀraction, large-scale molecular dynamics simulations with subsequent structural and cluster analysis. A good agreement was found between the results of X-ray diﬀraction data and the molecular dynamics simulations results for an equilibrium nickel melt. It was found that the nickel melt is characterized by a short-range order, formed by fragments of icosahedra and distorted icosahedral clusters. It was revealed that the “liquid-crystal” phase transition in nickel is accompanied by the transformation of distorted icosahedral clusters into clusters with the fcc/hcpsymmetry. It is shown that, in contrast to the Voronoi tessellation method, the cluster analysis method based on the rotational invariants does not allow sufciently correct identifcation of the distorted icosahedral short-range order in metal melts.

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“…Viscosity is one of the most important characteristics that determines relaxation features, thermophysical and transport properties of a substance; has a high sensitivity to structural transformations and phase transitions, and also plays an important role in the kinetics of chemical reactions [1]. At the same time, the temperature dependence of the viscosity determines the so-called glass-forming ability of the system [2,3]. In general, the viscosity of a liquid varies with its temperature and composition and can be measured experimentally using viscometry techniques [4], or calculated by classical/quantum molecular dynamics simulations [5], or obtained by means of semi-empiric or microscopic theoretical models [2,6,7].…”

Section: Introductionmentioning

confidence: 99%

Viscous properties of nickel-containing binary metal melts

Khusnutdinoff¹,

Khairullina²,

Bel’tyukov³

et al. 2020

J. Phys.: Condens. Matter

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The paper presents the results of molecular dynamics study of the viscosity of nickel-containing binary metal melts for a wide range of temperatures, including the region of the equilibrium liquid phase and supercooled melt. It is shown that the temperature dependencies of the viscosity of binary metal melts are described by the Kelton’s quasi-universal model. Based on the analysis of the viscosity coefficient of the binary melt composition within the framework of the Rosenfeld’s scale transformations, it has been established that to correctly describe the viscosity of binary/multicomponent metal melts within the framework of entropy models, it is necessary to use a more complex representation of the excess entropy S ex than in the approximation of pair correlation entropy S 2.

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Elastic Properties and Glass Forming Ability of the Zr<sub>50</sub>Cu<sub>40</sub>Ag<sub>10</sub> Metallic Alloy

Cited by 4 publications

References 16 publications

Процессы Структурообразования В Фуллереновых Смесях

Процессы Структурообразования В Фуллереновых Смесях

Is icosahedral short-range order presented in supercooled transition metals?

Viscous properties of nickel-containing binary metal melts

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