Sharif Digital Repository

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... 

In this research the effects of cold deformation and heating to the semi-solid temperature on microstructure and mechanical properties of cast dendritic and non-dendritic structures of A356 alloy were investigated. To produce the non-dendritic samples, the semi-solid slurry was obtained by electromagnetic stirring and rheoforged and then the samples were heated to semi-solid temperature. In order to impose the deformation to the dendritic and non-dendritic samples, multidirectional forging process was used. Non-dendritic samples were deformed with applying one to three passes of the multidirectional forging and then were kept at the semi-solid range of temperature again. Microstructural and... 

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. 10 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 transformation. Additionally, Wendt-Abraham parameters were calculated to determine the glass transition temperature. It is shown... 

In this research, the electromagnetic stirring (EMS) process was used to produce semi-solid slurry with globular structure from cast A356 aluminum alloy. Then the slurry was forged in a die, which named rheoforging process. Utilizing multidirectional forging (MDF), the effect of severe plastic deformation on microstructure and mechanical properties of this alloy in dendritic and globular states was investigated. Shear punch, micro- and macro-hardness tests were used to study the mechanical properties of these samples. For metallographic examinations, the optical microscope equipped with the Clemex ® image analyzer software was used. Optimum globular structure of rheoforged specimens was... 

In this work, the evolution of the local structure in Cu50-Zr50 bulk metallic glass during glass formation was studied by molecular dynamics simulation. The pair distribution function and Voronoi analysis were adopted to characterize local structures in this alloy. The stability of icosahedral clusters and the role of other local clusters in the formation of icosahedra were evaluated. It was found that the (0,2,8,2) polyhedron is not only the dominant cluster in this alloy, but also the most prone cluster to convert into an icosahedron in the course of cooling. Moreover, it acts as an intermediate state during the icosahedron formation. The onset of stability of icosahedra emerges at the... 

In this work, the evolution of the local structure in Cu50–Zr50 bulk metallic glass during glass formation was studied by molecular dynamics simulation. The pair distribution function and Voronoi analysis were adopted to characterize local structures in this alloy. The stability of icosahedral clusters and the role of other local clusters in the formation of icosahedra were evaluated. It was found that the (0,2,8,2) polyhedron is not only the dominant cluster in this alloy, but also the most prone cluster to convert into an icosahedron in the course of cooling. Moreover, it acts as an intermediate state during the icosahedron formation. The onset of stability of icosahedra emerges at the... 

The authors demonstrate efficient direct electron transfer from the enzyme glucose oxidase to vertically aligned gold nanorods with a diameter of ~160 nm and a length of ~2 μm that are covalently linkage to a 3-dimensional network of reduced graphene oxide nanosheets. The assembly can be prepared by a 2-step electrochemical procedure. This hybrid structure holds the enzyme in a favorable position while retaining its functionality that ultimately provides enhanced performance for enzymatic sensing of glucose without utilizing mediators. The nanorod assembly was applied to the voltammetric detection of glucose. Figures of merit include an electrochemical sensitivity of 12 μA·mM−1·cm−2... 

A three phase electromagnetic stirrer was used to agitate aluminum A356 slurry and a dry and oxygen free argon gas was introduced in to the slurry by a porous graphite core at a same time. The prepared semi-solid slurry was then transferred into a metallic mold and was compacted by a drop weight. Results demonstrated a favorable increase in shape factor, decrease in aspect ratio and average diameter size at different intensities of stirring. The intensity of stirring was changed by altering the current passed through the magnetic coil and also bubbling intensity via the porous graphite diffuser. Different time intervals for electromagnetic stirring and gas induction were applied. Agitating... 

Molecular dynamics (MD) simulations have been widely used to study the structure of metallic glasses (MGs) at atomic scale. However, ultrafast cooling rates in MD simulations create structures that are substantially under-relaxed. In this study, we introduce long-term pressurized annealing up to 1 μs slightly below the glass-transition temperature, Tg, in MD simulation, which effectively relaxes the structure of Cu64Zr36 MG toward experimental conditions. It is found that applying hydrostatic pressure up to 2 GPa relaxes the MG to low-energy states whereas higher pressures retard relaxation events. In the sample annealed at 2 GPa pressure, equivalent cooling rate reaches to 3.7 × 107 K/s,... 

The use of magnesium as an implant in a physiological environment is seriously challenged by its fast degradation rate, an effect that results in loss of mechanical support before the completion of the tissue healing. Among different methods, this paper focuses on the hydrothermal coating method, where the main focus is on the role of substrate microstructure on the overall quality of the formed coating under the same coating condition. In this study, an as-cast Mg–1Zn–0.2Ag alloy was processed using a variety of techniques, including solution heat treatment, extrusion and equal-channel angular pressing (ECAP). Hydrothermal coating was formed by placing samples in distilled water for 5 h at... 

Colloidal quantum dot solar cells have recently attracted significant attention due to their low-processing cost and surging photovoltaic performance. In this paper, a novel, reproducible, and simple solution-based process based on supercritical fluid toluene is presented for in situ growth and deposition PbS nanocrystals with oleic-acid passivation. A lead precursor containing sulfur was mixed with oleic acid in toluene and processed in a supercritical fluid condition at different temperatures of 140, 270 and 330 °C for 20 min. The quantum dots were deposited on a fluorine-doped tin oxide glass substrate inside the supercritical reactor. Transmission electron microscopy, X-ray diffraction,... 

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... 

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... 

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... 

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... 

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  

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... 

The dendritic structure of a cast ZA27 alloy can be transformed into a globular structure, if it is cold worked prior to being held in a semi-solid condition. The globular or the equiaxed particles are surrounded by the lower melting matrix. The dendritic structure was swaged and recrystallised prior to holding in a semi-solid state in this investigation. The semi-solid holding of the alloy at temperatures above and below that of peritectic reaction was carried out for various lengths of time. It was shown that the liquid fraction is decreased to below the peritectic temperature which leads to a reduction of lubrication between the solid globules and an increasing deformation force. Holding... 

During the last decade, solution-processed colloidal quantum dots (CQDs) have attracted significant attention for low-cost fabrication of optoelectronic devices. In this study, lead sulfide (PbS) CQDs were synthesized via the hot injection method and the effect of doping elements with low electron affinity, including cadmium, calcium and zinc, on the passivation of trap states was investigated. A red-shift in the luminescence emission was observed by doping through passivation of lead dangling bonds. Time-resolved photoluminescence measurements showed that the lifetime of charged carriers was significantly enhanced by cadmium doping (∼80%) which is quite noticeable compared with calcium- and... 

The effects of relaxation and nanocrystallization on magnetic properties of (Fe0.5Co0.5)73.5Si13.5B 9Nb3Cu1 ribbons have been investigated. Ribbons were melt-spun at wheel speed of 38 m/s and then annealed at different temperatures. The results indicated that the relaxation processes shift the Curie temperature of amorphous phase to the higher temperatures. It was also found that through crystallization phenomena the saturation magnetization increases due to the super-exchange between Fe and Co atoms in the crystalline phase. A slight variation in magnetization was observed at ~700 °lC during heating due to the ordering transition in FeCo system. At early stage of crystalline phase...