Sharif Digital Repository

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,... 

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... 

Concurrent precipitation in an age hardenable aluminum alloy determines recrystallization behavior especially grains structure and recrystallization texture during continuous heating. In this study, to investigate the effect of concurrent precipitation on the recrystallization texture and grains structure, a solution treated Al-Cu-Mg alloy has been multi-directionally forged at room temperature and continuously heated with different heating rates (800, 1600 and 2500 K·min− 1) up to 450 °C using Gleeble 3800 thermo-mechanical simulator. At lower heating rates (800 K·min− 1), Goss texture component {110} 〈001〉 (Φ1 = 90°/0°, Φ = 90°/45°, Φ2 = 45°/90°) is developed during continuous heating and... 

Phenomenological constitutive modeling of Ti-6Al-4V at temperatures between 923 and 1023 K under 0.0005–0.05 s−1 quasi-static rates is studied based on a phenomenological approach. For this purpose, the Johnson–Cook constitutive model is revisited. At low temperature conditions under moderate to high strain rates, the material’s stress–strain curves are the most similar to power-law function. Contrary to this, at high temperature conditions under low to moderate strain rates, the saturation-type function well describes the stress–strain curves. On the other hand, it is illustrated that the Johnson–Cook constitutive model is feeble to predict the material’s behavior correctly. Accordingly, in... 

Simultaneous enhancement of osseointegration and bacterial infection prohibition through surface modifications is a challenging but promising approach to achieve durable implantation. To that end, we present a multifunctional surface coating composed of graphene nanolayers and hierarchical well-aligned TiO2 nanotubes with a nanoporous top layer (cRTNT). FESEM studies reveal tunable increasing island morphologies of graphene nanolayers (G) on cRTNT by a cyclic voltammetry process. XPS analysis shows that the enhanced interface chemistry is due to TiO2-carbon bonding. The roughness of the sample containing a medium amount of graphene, cRTNT-75%GO, was calculated ∼289 nm, which was 543% higher... 

The electrocatalytic oxidation of methanol was studied over Ni, Co and Cu binary or ternary alloys on graphite electrodes in a NaOH solution (0.1 mol/L). The catalysts were prepared by cycling the graphite electrode in solutions containing Ni, Cu and Co ions at cathodic potentials. The synergistic effects and catalytic activity of the modified electrodes were investigated by cyclic voltammetry (CV), chronoamperometry (CA) and electrochemical impedance spectroscopy (EIS). It was found that, in the presence of methanol, the modified Ni-based ternary alloy electrode (G/NiCuCo) exhibited a significantly higher response for methanol oxidation compared to the other samples. The anodic peak... 

The electrocatalytic oxidation of hydrazine was studied over Ni, Cu, Co and Ni-based ternary alloy on graphite electrodes in alkaline solution. The catalysts were prepared by cycling the graphite electrode in solutions containing Ni, Cu and Co ions at cathodic potentials. The synergistic effects and the catalytic activity of the modified electrodes were investigated by cyclic voltammetry (CV), chronoamperometry (CA) and electrochemical impedance spectroscopy (EIS). It was found that, in the presence of hydrazine, the modified Ni-based ternary alloy electrode (G/NiCuCo) exhibited a good catalytic activity for the oxidation of hydrazine at a reduced overpotential and it has a significant high... 

The recrystallization behavior of an Al-Cu-Mg alloy is investigated in multi-directionally forged over-aged and solution treated alloys, during non-isothermal annealing. Deformation and non-isothermal annealing are performed with a Gleeble 3800 thermo-mechanical simulator. The hardness measurements show that there is a thermal stability in mechanical properties during non-isothermal annealing up to 250 °C with heating rate of 10 K·min− 1. Differential scanning calorimetry curves of deformed over-aged and solution treated alloys describe the related precipitation phenomena. EBSD maps demonstrate that partially recrystallized and fully recrystallized microstructures appear in deformed... 

The microstructure of a transient liquid phase (TLP) bonded nickel base superalloy using B-containing filler metal after completion of isothermal solidification can usually be described by a eutectic-free joint centerline with extensive in-situ boride precipitation in the diffusion affected zone which in turn can affect the joint properties. Therefore, designing a proper post-bond heat treatment is needed to produce a robust joint. This paper addresses the microstructure evolution mechanism during post-bond heat treatment (PBHT) of TLP bonded wrought IN718 nickel base superalloy. PBHT at 1150 °C, which is lower than the solvus temperature of the borides, for 12 h resulted in boride-free... 

A long-term antibacterial activity of implants without compromising their biocompatibility is highly desirable to minimize the biomaterial-associated infections. Although tantalum oxide nanotubes (Ta2O5 NTs) are promising coating materials for orthodontics and orthopedics applications, their insufficient antibacterial activity retains vulnerability to post-implantation infections. This study aimed to endow antibacterial characteristics to the Ta2O5 NTs-coated Ti6Al4V substrates by decoration of silver oxide nanoparticles (Ag2O NPs). The well-adherent Ta2O5 NTs were grown via anodization of a pure tantalum (Ta) layer coated by physical vapor deposition (PVD) on the Ti6Al4V substrates. The... 

In this study, the fatigue behavior of Ti-6Al-4V alloy is tend to be improved by severe plastic deformation via shot peening and plasma nitriding. Shot peening with sub-branches: Conventional shot peening (A12-14), severe shot peening (A28–30 and A34-36) and repeening (N6-8) are exposed. Besides plasma nitriding is implemented at 500 °C, 550 °C and 600 °C with the durations of 4, 8 and 16 h. Due to utilization of shot peening as prior severe plastic deformation during diffusion of nitrogen, two methods are applied in sequence. Severe shot peening forms ultra-fine crystals and oriented grains by disintegrating of α and β phases just below the surface and increases surface roughness. Plasma... 

The effects of initial heat treatments, i.e. solution treating and over ageing, on deformation behavior of an age hardenable Al-Cu-Mg alloy, including mechanical properties and texture evolution, during multi-directional forging (MDF) are investigated. Hardness measurements, electron back scatter diffraction (EBSD) maps, and differential scanning calorimetry (DSC) are carried out. Mechanical behaviors of the alloy in terms of compressive stress and hardness test after MDF are investigated. In both solution treated and over-aged alloys, the compressive stress during MDF shows an increase up to the second pass, and by further straining the flow stress is decreased. However, shear and... 

E-waste has become one of the greatest sources of environmental pollution. Bioleaching is known as a new, simple, and environmentally friendly technology for metal recovery requiring low energy input, unskilled labor operations, moderate conditions, and low costs. Acidithiobacillus ferrooxidans is a famous and puissant mesophilic bacterium applied extensively to recover metals from ores and different industrial and municipal wastes. It is necessary to identify the parameters affecting consumers E-waste recycling. Separating and recovering different types of E-waste is impossible for small recycling units. There should be a specific combination of E-waste, enabling the extraction of the... 

The influence of equal channel angular pressing (ECAP) on microstructure and mechanical behavior, as well as, strain aging during ECAP and post-ECAP of Mg-1.8Zn-0.7Si-0.4Ca biomedical alloy was examined. The alloy in solid solution heat-treated condition was processed by ECAP with route BC at 350 and 400 °C. The specimens ECAPed at 350 °C were aged at 125 and 150 °C for different times. The hardness and shear punch test results indicated that performing ECAP at 350 °C for 4 passes increases the hardness and shear strength of the alloy from 48 HV and 110 MPa to 71 HV and 188 MPa, respectively. It was revealed that the average grain size of the alloy decreases from 78 µm to about 3 µm after 4... 

In this study, titanium alloy (Ti-6Al-4V) and austenitic stainless steel (AISI 304) biomedical alloys were subjected to surface severe plastic deformation (SSPD) via severe shot peening (SSP) with the conditions of A28-30 Almen intensity. SSP is widely accepted as much more effective than the conventional surface modification techniques since it forms a nano-grain layer with large number of dislocations and grain boundaries. The SSP treatment in this study was led to a very thin rough layer in Ti-6Al-4V titanium alloy compared to that of AISI 304. The thicker layer of AISI 304 was created by twin-twin intersections and a martensite structure transformations. SSP treatment was resulted in a... 

In Li-ion batteries, application of active materials can enhance the kinetics of the charge-discharge process, reduce the costs and improve the safety of the system. In this work, the effect of nickel content and lithium excess in Li1+x (Ni0.4-xMn0.5Co0.1) O2 compounds on the electrochemical performance of the lithium-ion battery cathode have been studies. For this purpose, three compounds of NMC in the stoichiometric state were synthesized via co-precipitation as the cathode active material. XRF and EDS analyses indicate that precursors and oxide compounds are well synthesized. The final compound of synthesized cathodes was obtained by ICP analysis. XRD results also suggest that the... 

In the present study, the structural features, corrosion behavior, and in vitro bioactivity of TiO 2 nanotubular arrays coated on Ti–6Al–4V (Ti64) alloy were investigated. For this reason, Ti64 plates were anodized in an ammonium fluoride electrolyte dissolved in a 90:10 ethylene glycol and water solvent mixture at room temperature under a constant potential of 60 V for 1 h. Subsequently, the anodized specimens were annealed in an argon gas furnace at 500 and 700 °C for 1.5 h with a heating and cooling rate of 5 °C min −1 . From XRD analysis and Raman spectroscopy, a highly crystalline anatase phase with tetragonal symmetry was formed from the thermally induced crystallization at 500 °C.... 

Ordered perpendicular TiO2 nanotubes (TNT) with 405 to 952 nm length and 60 to 90 nm diameter were grown via 40 to 120 min anodization of Ti6Al4V flat substrates. The samples were called TNT-40, -60, -80, -100, and -120. Vancomycin was loaded on the bare and anodized electrodes by separate immersion and electrophoretic (EP) deposition procedures. EP loading resulted in storage capacity of 5221.86 μg cm-2 for TNT-80 which was much higher than 1036.75 μg cm-2 of immersed sample. Drug release comprised of three stages: (i) burst release (78% for the bare, and 23% for the TNT-80 sample), (ii) gradual transport (21% for the bare, and 64% for the TNT-80 sample), and (iii) equilibrium. Transfer... 

Ordered perpendicular TiO2 nanotubes (TNT) with 405 to 952 nm length and 60 to 90 nm diameter were grown via 40 to 120 min anodization of Ti6Al4V flat substrates. The samples were called TNT-40, -60, -80, -100, and -120. Vancomycin was loaded on the bare and anodized electrodes by separate immersion and electrophoretic (EP) deposition procedures. EP loading resulted in storage capacity of 5221.86 μg cm-2 for TNT-80 which was much higher than 1036.75 μg cm-2 of immersed sample. Drug release comprised of three stages: (i) burst release (78% for the bare, and 23% for the TNT-80 sample), (ii) gradual transport (21% for the bare, and 64% for the TNT-80 sample), and (iii) equilibrium. Transfer... 

During the recent years, some Mg based alloys have extensively been considered as a new generation of degradable and absorbable bio-medical materials. In this work, the Mg–2Zn–1Gd–1Ca (wt%) alloy as a new metallic bio-material was produced by the casting process followed by the heat treatment. The samples of the alloy were solution treated at temperatures of 500, 550, and 600 °C and then quench aged at temperatures of 125, 150, and 175 °C. The results of SEM-EDS examinations indicated that the alloy microstructure consists of α-Mg matrix and the Ca2Mg6Zn3 and Mg3Gd2Zn3 secondary phases. With regard to the results of Vickers hardness test, the temperatures of 500 °C and 150 °C were selected...