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    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... 

    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... 

    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 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... 

    Molecular dynamics simulation of melting, solidification and remelting processes of aluminum [electronic resource]

    , Article Iranian Journal of Science and Technology ( IJST): Transactions of Mechanical Engineering ; 2012, Vol.36, No. M1, P.13-23 Solhjoo, S ; Simchi, A. (Abdolreza) ; Aashuri, H ; Sharif University of Technology
    Abstract
    A molecular dynamics simulation study has been performed to investigate the solidification and remelting of aluminum using Sutton - Chen many body potential. Different numbers of atoms from 108 to 2048 atoms were considered to find an adequate size for the system. Three different cooling and heating rates, i.e. 1 0 12 K/s, 10 13 K/s and 10 14 K/s, were used. The structure of the system was examined using radial distribution function. The melting and crystallization temperatures of aluminum were evaluated by calculating the variation of heat capacity during the phase t ransformation. Additionally, Wendt – Abraham parameters were calculated to determine the glass transition temperature. It is... 

    Thermally induced failure mechanism transition and its correlation with short-range order evolution in metallic glasses

    , Article Extreme Mechanics Letters ; Volume 9 , 2016 , Pages 215-225 ; 23524316 (ISSN) Jafary Zadeh, M ; Tavakoli, R ; Srolovitz, D. J ; Zhang, Y. W ; Sharif University of Technology
    Elsevier Ltd 
    Abstract
    The effect of temperature on the short-range order (SRO) structures, deformation mechanisms and failure modes of metallic glasses (MGs) is of fundamental importance for their practical applications. However, due to lack of direct structural information at the atomistic level from experiments and the absence of previous molecular dynamics (MD) simulations to reproduce experimental observations over a wide range of temperature, this issue has not been well understood. Here, by carefully constructing the atomistic models of Cu64Zr36 and Fe80W20 MGs, we are able to reproduce the major deformation modes observed experimentally, i.e. single shear banding (SB) at low temperatures, multiple... 

    Structural modification through pressurized sub-Tg annealing of metallic glasses

    , Article Journal of Applied Physics ; Volume 122, Issue 21 , 2017 ; 00218979 (ISSN) Foroughi, A ; Ashuri, H ; Tavakoli, R ; Stoica, M ; Ažopu, D ; Eckert, J ; Sharif University of Technology
    Abstract
    The atomic structure of metallic glasses (MGs) plays an important role in their physical and mechanical properties. Numerous molecular dynamics (MD) simulations have been performed to reveal the structure of MGs at the atomic scale. However, the cooling rates utilized in most of the MD simulations (usually on the order of 109-1012 K/s) are too high to allow the structure to relax into the actual structures. In this study, we performed long-term pressurized sub-Tg annealing for up to 1 μs using MD simulation to systematically study the structure evolution of Cu50Zr50 MG. We find that from relaxation to rejuvenation, structural excitation of MGs and transition during sub-Tg annealing depend on... 

    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... 

    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...