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    Effect of temperature on the fracture surface morphology of Ti- and Zr-based bulk metallic glasses: exploring correlation between morphology and plasticity

    , Article Journal of Materials Science ; Volume 53, Issue 14 , July , 2018 , Pages 10372-10382 ; 00222461 (ISSN) Asadi Khanouki, M. T ; Tavakoli, R ; Aashuri, H ; Sharif University of Technology
    Springer New York LLC  2018
    Abstract
    According to previous studies on the fracture surface morphologies of bulk metallic glasses, the stable crack growth region width and vein pattern size increase with the plasticity at room temperature. In the present work, the fracture surface morphologies of Ti- and Zr-based bulk metallic glasses bent over a wide temperature range (0.1–0.8 glass transition temperature) are systematically analyzed. According to our finding, the stable crack growth region width increases while the vein pattern size decreases as the ductility improves by varying temperature. This observation is in contrast to the common thought that the ductility is proportional to the stable crack growth region width and vein... 

    Comparing Glass Formability of Cu-Zr and Ni-Zr Systems by Molecular Dynamics Simulation

    , M.Sc. Thesis Sharif University of Technology Ghaemi, Milad (Author) ; Tavakoli, Rohollah (Supervisor)
    Abstract
    Metallic glasses (MG) are a group of materials that have unique properties such as high yielding strength and high elastic deformation. Because of limitation in the production of these materials, a few industrial materials of MG have been made so far. A few of binary alloys, like binary alloys made of Cu-Zr, have high Glass Forming Ability (GFA) in medium cooling rates. Between two binary systems of Cu-Zr and Ni-Zr, although constituent elements in aspect of atomic radius, electronic structure, physical properties, phase diagrams and intermetallic compounds are so similar to each other, but GFA between them are very different. For example, in Cu-Zr system there are compounds, such as... 

    Molecular Dynamic Study of Short-and Medium-Range order Structures in Bulk Metallic Glasses

    , Ph.D. Dissertation Sharif University of Technology Foroughi, Alireza (Author) ; Aashuri, Hosien (Supervisor) ; Tavakoli, Roholah (Supervisor)
    Abstract
    In this work, structures of Cu-Zr bulk metallic glasses at atomic scale were studied by molecular dynamics simulation. Bulk metallic glasses have high glass form ability, which makes it possible to more effectively examine the relationship between structure and properties in glassy materials. Due to this reason, this family of materials has been selected in this research. Voronoi tessellation method, coordination number analysis, short-range order examination, glass transition temperature and pair distribution function have been selected to investigate the structure in atomic scale. Results show that full icosahedron (with the highest five-fold symmetry) and some distorted icosahedra have... 

    Discovery of novel quaternary bulk metallic glasses using a developed correlation-based neural network approach

    , Article Computational Materials Science ; Volume 186 , 2021 ; 09270256 (ISSN) Samavatian, M ; Gholamipour, R ; Samavatian, V ; Sharif University of Technology
    Elsevier B.V  2021
    Abstract
    The immense space of composition-processing parameters leads to numerous trial-and-error experimental works for engineering of novel bulk metallic glasses (BMGs). To tackle this challenging problem, it is required to consider specific guidelines which are able to restrict the productive alloying compositions. In this work, a correlation-based neural network (CBNN) approach was developed, based on a dataset of 7950 alloying compositions, to design potential new MGs through prediction of casting ability, reduced glass transition (Trg) and critical thickness (Dmax). This approach involves individual and mutual characteristics of contributory factors to improve the prediction accuracy. To... 

    Effect of the strain rate on the intermediate temperature brittleness in Zr-based bulk metallic glasses

    , Article Journal of Non-Crystalline Solids ; Volume 475 , 2017 , Pages 172-178 ; 00223093 (ISSN) Asadi Khanouki, M. T ; Tavakoli, R ; Aashuri, H ; Sharif University of Technology
    Abstract
    In this work, the effect of strain rate on the ductility, intermediate temperature brittleness and fracture surface of Zr-based BMG over a wide range of temperatures from 0.1 Tg to near Tg, has been systematically investigated. The results showed two remarkable ductile to brittle transition at low cryogenic and intermediate temperatures. At low temperatures, below 0.4 Tg, the activation of diffusion mediated phenomena is negligible and the combined effects of strain rate and temperature contribute to the plasticity of material by changing the STZ volume, hence the possibility of forming multiple shear bands. At the temperature range from 0.4 Tg to the temperature at which the intermediate... 

    Recent advancements in bulk metallic glasses and their applications: A review

    , Article Critical Reviews in Solid State and Materials Sciences ; Volume 43, Issue 3 , 2018 , Pages 233-268 ; 10408436 (ISSN) Khan, M. M ; Nemati, A ; Rahman, Z.U ; Shah, U. H ; Asgar, H ; Haider, W ; Sharif University of Technology
    Taylor and Francis Inc  2018
    Abstract
    Bulk metallic glasses (BMGs), that display extraordinary properties of high strength, corrosion resistance, polymer-like formability, and excellent magnetic properties, are emerging as modern quintessential engineering materials. BMGs have garnered significant research enthusiasm owing to their tremendous technological and scientific standing. In this article, the recent advancements in the field of BMGs and their applications are put in a nutshell. Novel state-of-the-art production routes and nano/microimprinting strategies with salient features capable of circumventing the processing related complexities as well as accelerating modern developments, are briefly summarized. Heterogeneous BMG... 

    Temperature dependence of serrated flow, strain-rate sensitivity and activation volume in a Ti-based bulk metallic glass

    , Article Journal of Non-Crystalline Solids ; February , 2020 Asadi Khanouki, M. T ; Tavakoli, R ; Aashuri, H ; Sharif University of Technology
    Elsevier B.V  2020
    Abstract
    In this study, the influence of temperature on serrated flow behavior, strain rate sensitivity (SRS) and effective activation volume in a Ti-based bulk metallic glass (BMG) bent at different strain rates has been investigated. Results reveal that the fundamental origin of shear deformation is related to the time-dependent structural relaxations, which occur during deformation at special temperatures and strain rates. Furthermore, the localized structural relaxation processes at intermediate temperatures cause an inelastic shuffling within cages and mitigate the activation of STZs. The main reason of negative SRS at intermediate temperatures is due to the insufficient time for structural... 

    Study of Structural and Mechanical Properties of Zr-, Ti- and La-based bulk Metallic Glasses

    , Ph.D. Dissertation Sharif University of Technology Asadi Khanouki, Mohammad Taghi (Author) ; Aashuri, Hossein (Supervisor) ; Tavakoli, Rouhollah (Supervisor)
    Abstract
    Bulk metallic glasses (BMGs), in contrast to conventional crystalline materials, are defined as metals with an amorphous and disordered atomic-scale structure. Due to the absence of dislocations and grain boundaries, BMGs have considerably unique mechanical properties such as high strength and elastic strain, high wear resistance and desirable corrosion resistance. However, they generally suffer from poor plasticity caused by an inhomogeneous deformation which leads to catastrophic failure by localization of strain into narrow regions, known as shear bands. This factor has extremely restricted their application as advanced structural materials. Furthermore, the recently discovered phenomenon... 

    Molecular Dynamics Study of Tungsten and Iron Addition on the Glass Formability of Cobalt-based Electrodeposited Coatings

    , M.Sc. Thesis Sharif University of Technology Bayati, Mohammad Baher (Author) ; Tavakoli, Rouhollah (Supervisor)
    Abstract
    Recent research suggests that the electrochemical deposition of cobalt-based binary alloys, such as cobalt-tungsten and cobalt-iron, can lead to the formation of amorphous structures in the coatings. Theoretical studies suggest that these structures are equivalent to structures created by the melt cooling of the alloy at speeds of about 〖10〗^10 Kelvin per second. The formation of a glass phase can significantly increase the abrasion resistance and corrosion resistance of these coatings. Empirical studies show that the ability of the glass to become glassy, or more precisely, the transition from crystalline to amorphous, is largely a function of the chemical composition. Simulation of... 

    Investigation of Heat Treatment on Microstructure of Bulk Metallic Glass By Molecular Dynamics

    , M.Sc. Thesis Sharif University of Technology Naseri Karimi, Vahid (Author) ; Ashouri, Hossein (Supervisor) ; Tavakoli, Rouhulla (Supervisor)
    Abstract
    Metallic glasses have been applied in industry owing to their attractive mechanical, physical, and chemical properties. such as high electrical resistivity, soft-type superconductivity, good magnetic softness, high strength and large elastic strain. These unusual properties make the amorphous alloys potentially useful for various applications, which originate from the intrinsic random atomic configuration. but their plasticity is low and this disadvantage limites their applicable range as a engineering material. In this study we try to improve plasticity of metallic glasses by structural rejuvenation. Structural rejuvenation in metallic glasses by a thermal process (i.e. through recovery... 

    Effect of Chemical Composition on Atomic Structure and Mechanical Properties of Mg-Zn Glass Alloys Using Molecular Dynamics Simulation

    , M.Sc. Thesis Sharif University of Technology Asl Roosta, Pouneh (Author) ; Tavakoli, Rohollah (Supervisor)
    Abstract
    In this research, Mg-Zn bulk metallic glasses have been investigated using molecular dynamics simulation. In order to study the structure of this alloy, coordination number, short and medium order of chemical range, Voronoi analysis, glass conversion temperature and atomic pair distribution function have been used. According to the results, the full icosahedral structure with IS connection type in comparison with other structures has an essential role in the stability of the system during cooling and creating medium-scale areas. The results show that the ability to form glass depends on the chemical composition and cooling rate. In this research, the cooling rate is considered to be 1011 K/s... 

    Simulation of the Effect of Cooling Rate and Chemical Composition on the Atomic Structure of Bulk Metallic Glass Iron-Phosphorus and Nickel-Phosphorus

    , M.Sc. Thesis Sharif University of Technology Hosseinzadeh, Danial (Author) ; Tavakoli, Rouhollah (Supervisor)
    Abstract
    bulk metallic glass Unlike metal materials that have a crystalline structure, amorphous glass is an amorphous material with an irregular atomic structure that simultaneously has the same physical properties as metals. Due to the absence of crystal defects such as dislocation and grain boundaries, these materials show unique mechanical properties such as high strength and elastic strain, abrasion resistance and proper corrosion. However, their plastic deformation is heterogeneous, concentrated, and accompanied by sudden failure. Unlike metals, these materials do not have a long-range crystalline order, and their atomic structure includes short-range and mid-range order. The short-range order... 

    Serrated flow during inhomogeneous bending deformation of bulk metallic glasses: From self-organized critical to chaotic dynamics

    , Article Journal of Non-Crystalline Solids ; Volume 505 , 2019 , Pages 62-71 ; 00223093 (ISSN) Asadi Khanouki, M. T ; Tavakoli, R ; Aashuri, H ; Sharif University of Technology
    Elsevier B.V  2019
    Abstract
    In this research, the dynamic behavior of serrated flows observed in the flexural stress-deflection curves during three-point bending (3 PB) tests on Zr-, Ti- and La-based bulk metallic glasses (BMGs) is statistically analyzed. Furthermore, the effect of strain rate on the serrations is studied. Based on the ductility of alloy, two distinct types of dynamics are detected. For more ductile alloys (Zr- and Ti-based BMGs) the stress drop magnitude of serrations obeys a power-law distribution of shear avalanches, which is an indicator of the self-organized critical (SOC) state in dynamics. In this case, the size of avalanches has no characteristic scale. In contrast, the size of serrations... 

    On the origin of intermediate temperature brittleness in La-based bulk metallic glasses

    , Article Journal of Alloys and Compounds ; Volume 770 , 2019 , Pages 535-539 ; 09258388 (ISSN) Asadi Khanouki, M. T ; Tavakoli, R ; Aashuri, H ; Sharif University of Technology
    Elsevier Ltd  2019
    Abstract
    The effect of strain rate on the ductility of a La-based bulk metallic glass (BMG) over a wide temperature range, and the correlation between ductility and relaxation processes within this alloy are investigated in the present work. The three point bending test and dynamic mechanical analysis are employed to study these phenomena. It is found that the activation energies of the nearly constant loss (NCL) relaxation and intermediate temperature brittleness are almost identical. This observation reveals that the NCL relaxation, as a locally confined or caged dynamics, contributes as the main source of intermediate temperature brittleness in La-based BMGs. © 2018 Elsevier B.V  

    Temperature dependence of serrated flow, strain-rate sensitivity and activation volume in a Ti-based bulk metallic glass

    , Article Journal of Non-Crystalline Solids ; Volume 553 , 2021 ; 00223093 (ISSN) Asadi Khanouki, M. T ; Tavakoli, R ; Aashuri, H ; Sharif University of Technology
    Elsevier B. V  2021
    Abstract
    In this study, the influence of temperature on serrated flow behavior, strain rate sensitivity (SRS) and effective activation volume in a Ti-based bulk metallic glass (BMG) bent at different strain rates has been investigated. Results reveal that the fundamental origin of shear deformation is related to the time-dependent structural relaxations, which occur during deformation at special temperatures and strain rates. Furthermore, the localized structural relaxation processes at intermediate temperatures cause an inelastic shuffling within cages and mitigate the activation of STZs. The main reason of negative SRS at intermediate temperatures is due to the insufficient time for structural... 

    Feasibility of using bulk metallic glass for self-expandable stent applications

    , Article Journal of Biomedical Materials Research - Part B Applied Biomaterials ; Volume 105, Issue 7 , 2017 , Pages 1874-1882 ; 15524973 (ISSN) Praveen Kumar, G ; Jafary Zadeh, M ; Tavakoli, R ; Cui, F ; Sharif University of Technology
    Abstract
    Self-expandable stents are widely used to restore blood flow in a diseased artery segment by keeping the artery open after angioplasty. Despite the prevalent use of conventional crystalline metallic alloys, for example, nitinol, to construct self-expandable stents, new biomaterials such as bulk metallic glasses (BMGs) are being actively pursued to improve stent performance. Here, we conducted a series of analyses including finite element analysis and molecular dynamics simulations to investigate the feasibility of using a prototypical Zr-based BMG for self-expandable stent applications. We model stent crimping of several designs for different percutaneous applications. Our results indicate... 

    Comparing short–range and medium–range ordering in Cu–Zr and Ni–Zr metallic glasses – Correlation between structure and glass form ability

    , Article Journal of Non-Crystalline Solids ; Volume 499 , 2018 , Pages 227-236 ; 00223093 (ISSN) Ghaemi, M ; Tavakoli, R ; Foroughi, A ; Sharif University of Technology
    Elsevier B.V  2018
    Abstract
    According to recent studies, Cu–Zr and Ni–Zr binary alloying systems are very similar based on known glass-forming ability criteria, however, they exhibit significant difference in glass-forming ability in practice. In this work, local atomic structures of Cu–Zr and Ni–Zr metallic glasses are studied by molecular dynamics simulation to explain the source of mentioned difference. The total and partial distribution functions, coordination number and voronoi analysis are utilized to characterize the local atomic structures around Zr, Ni and Cu atoms. It was found that the local environment around Zr atoms is almost similar in both systems. The difference in the atomic structure in these systems... 

    On the glass-forming ability of (Zr0.5Cu0.5)100−xAlx ternary alloys: A molecular dynamics study

    , Article Materials Today Communications ; Volume 31 , 2022 ; 23524928 (ISSN) Abbasi, M. H ; Shabestari, S. G ; Tavakoli, R ; Sharif University of Technology
    Elsevier Ltd  2022
    Abstract
    In this research, the atomic scale local structures in (Zr0.5Cu0.5)100−xAlx (x = 0,2,4,6,8,10,12) bulk metallic glass was studied using molecular dynamics simulation method. The pair distribution function, Voronoi analysis and mean squared displacement (MSD) were adopted for investigation of the local structures. It was found that Cu- and Al-centered full icosahedra possess the most frequency accompanied by the most changes during the glass transition process in the supercooled liquid region temperature. Moreover, it was observed that the Al-centered full icosahedra (Al-FI) and Cu-centered full icosahedra (Cu-FI) clusters with 2.5% and 1.9% increase (relative to total atoms), respectively,...