cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.14305798.v1
title: A Comparative Study of Abbreviated Heat Treatments for SAE 4130 Steel After Laser Welding

description: Abstract It was verified that SAE 4130 steel plates crack when laser beam welded at room temperature (RT). To overcome this problem, this work proposes a high temperature (HT) laser welding in order to reduce the residual stresses and create a bainitic structure instead of a martensitic one. A conventional post-welding heat treatment (PWHT) had been used as a comparison for HT. The centerline crack disappeared after a heat treatment of both in-situ (HT) or after inserting in a furnace (PWHT) at 500 °C for 10 minutes. The finite element analyses indicated a residual stress reduction from 163.70 to 3.72 MPa in the fusion zone (FZ) of the welds from RT to HT. The hardness obtained in FZ depends on the thermal cycle induced microstructure of the welds as 400 HV, 340 HV and 250 HV, for martensite (RT), tempered martensite (PWHT) and bainite (HT) micro-constituents. The proposed in-situ high-temperature laser beam welding method proved its usefulness to solve the center crack issue in SAE 4130 joints.
DOI: 10.6084/m9.figshare.14305797.v1
title: The Effect of the Cooling Rate on the Microstructure and Microsegregation: An Experimental and Numerical Investigation of Solidification in Hypoperitectic Cu − 20 wt.% Sn Alloy

description: Abstract Hypoperitectic Cu − 20 wt.% Sn alloy was solidified under different cooling rates and solidification growths using directional solidification system. The effects of cooling rate and solidification growth on the microsegregation profiles and tertiary dendritic arm spacing (λ3) were experimentally investigated along the casting. A mathematical model known as phase-field was applied to simulate microstructure and microsegregation during solidification in system Cu-Sn liquid. In this paper the applicability of the phase-field model to the solidification problem in a real alloy system was systematically explored. Microsegregation profiles and realistic dendritic structures were obtained using the phase-field model. The results calculated by phase-field model show various solidification features consistent with our experiment. The calculated tertiary dendritic arm spacing (λ3) and microsegregation profiles were compared with experimental values from directional solidification system. Since the calculated microsegregation profiles using the equilibrium partition coefficient (keq) can yielded discrepancies from the experimental results, an effective partition coefficient (kef) as a function of solidification growth, is proposed in phase-field model, showing a good agreement with the experimental data for any case examined.
DOI: 10.6084/m9.figshare.14305796.v1
title: Diphenyltetrazole Modified Bacterial Cellulose Film: Considerations on Heterogeneous Modification and Bioconjugation

description: Abstract Understanding chemical reactions in bacterial cellulose (BC) films is important to control the insertion of biomolecules that can improve their biomedical properties. Diphenyltetrazole molecules are able to react with tiols under UV irradiation and has been useful for immobilize proteins on different materials. In this work, we show the functionalization of a BC film with diphenyltetrazole and subsequent attempts of conjugation of the bovine serum albumin (BSA) to it. Diphenyltetrazole was synthesized in two steps, and functionalization of it with BC was carried out under ultrasound irradiation. Spectroscopic analysis of the film by UV–Vis and FTIR confirmed the success of the reaction. Attempts to conjugate BSA to the modified cellulose film by photoclick reaction failed under these conditions. Although this methodology is important in the conjugation of biomolecules, we understand that its application in cellulosic materials in heterogeneous phase is disadvantaged due to the half-life of the unstable intermediate and the biomolecule's access to it.
DOI: 10.6084/m9.figshare.14305794.v1
title: Fluorine-Containing Bioactive Glass Spherical Particles Synthesized By Sol-Gel Route Assisted by Ultrasound Energy or Mechanical Mixing

description: Bioactive glasses (BG) are versatile materials for various biomedical applications due to their capacity to bond to hard and soft tissues. These materials can be produced with different nominal compositions, such that include fluoride ions. Fluorine-containing-BG (BGF) can be produced by the sol-gel method, and its properties can be changed by altering the synthesis parameters. Here, BGF particle size between 235 nm-390 nm were obtained through sol-gel method assisted by ultrasound energy (BGU) or through mechanical stirring (BGM). The BGM and BGU particles showed highly dispersed spherical shape, moreover BGM are mesoporous and BGU are dense structures, indicating mixing mode can alter mainly the material textural characteristics. All compositions have apatite forming ability, verified by DRX from 14 days in SBF. The results showed CaF2 on the surface of BGF particles, indicating that part of F ions was not incorporated in the material network. The samples did not show any cytotoxicity towards human cells in Cellular Metabolic Activity and Calcein assays. This study showed that mechanical agitation was more efficient to produce mesoporous particles to be applied as carrier of drugs and molecules to the biological environment, so BGM can be used as a more efficient biomaterial for such applications.
DOI: 10.6084/m9.figshare.14305793.v1
title: Effects of Heat Treatment and Design on Mechanical Responses of NiTi Endodontic Instruments: a Finite Element Analysis

description: Heat treatments and geometries have a significant influence on the mechanical behavior of endodontic files. Finite element analyses were performed to verify the effects due to each of these parameters in NiTi files. Two designs and three NiTi atomic structures (resultant from different heat treatments) were selected for this study. The geometries of the ProTaper Next X1 and ProTaper Universal S2 files, and the structures of fully austenitic (conventional superelastic), austenite treated, and fully R-phased were used. The mechanical responses were evaluated under flexion and torsion loading conditions described by ISO 3630-1 specification. According to the results, the design of the X1 file exhibit higher flexibility in comparison to the S2 model. Under torsional loads, S2 showed higher stiffness. The structures of fully austenitic showed the least flexibility under flexion and the highest torsional stiffness. The stress levels reached for the austenitic condition were uppermost. The treated condition that resulted in a fully R-phase file usually presented a higher level of flexibility with lower stress levels, indicating a longer life in fatigue when compared to the other treatments.
DOI: 10.6084/m9.figshare.14305791.v1
title: Effect of Cutting Parameters in Machining Force, Surface Texture and Chips Morphology Obtained in Turning of Sintered Self-Lubricating Composites

description: Abstract This work presents a study on effect of cutting parameters in force, texture and chips morphology obtained during the turning of a self-lubricating sintered composite. The tests were performed varying the cutting speed (vc = 100 and 200 m/min), feed (f = 0.1 and 0.2 mm), depth of cut (ap = 0.5 and 1 mm), as well as the materials manufacturing route in single pressing (SP) and double pressing (DP). The variation in the cutting parameters influenced the components of the machining force. The cutting, feed and passive force were approximately 10%, 10% e 25% higher, respectively, for DP materials. The turning process generated surfaces with values of maximum height (Sz) between 28.3 to 10.8 μm, Kurtosis (Sku) &gt; 3 and Skewness (Ssk) &lt; 0.3. The chip type obtained was segmented and the chip thickness ratio was influenced by the variation of the cutting parameters and the materials manufacturing route.
DOI: 10.6084/m9.figshare.14305790.v1
title: The Effect of Nitrogen Flow Rate on the Loadbearing Capacity from Nano- to Macro-Hardness of Austenitic Stainless Steels Magnetron Sputtering-Coated with Stainless Steel Films

description: UNS S31603 stainless steel (SS) substrates were covered by reactive magnetron-sputtering with protective SS coatings of the same steel specification. A mechanical characterization study (through nano-, micro- and macro-hardness tests) of samples obtained under two different sputtering conditions and varying the N2 gas flow rate was carried out. This contribution aimed at appraising the effects of varying the nitrogen flow rate on hardness, elastic modulus, and susceptibility to indentation-induced crack formation of the coated SSs. Nitrogen-free samples displayed body-centered cubic (BCC) films with 9.0-9.4 GPa hardness and 203-206 GPa elastic modulus, while their susceptibility to indentation-induced cracking varied between superior and moderated among the two sets of sputtering conditions studied. Samples alloyed with 4-6 N at-% displayed a predominantly face-centered cubic (FCC) structure, 9.4 GPa hardness, 196-218 GPa elastic modulus, and superior resistance to crack formation. Samples with 11.5-22.0 N at-% were fully composed of the FCC structure, displayed 12.4-15.2 GPa hardness, 188-193 GPa elastic modulus, and moderated resistance to indentation-induced crack formation. Samples with 47.0 N at-% displayed FCC compound nitride structure, for which hardness and elastic modulus were 8.1 GPa and 139 GPa, respectively. These samples displayed low resistance to crack formation.
DOI: 10.6084/m9.figshare.14305789.v1
title: Material Characterization and Parametric Optimization of Unconventional Machining of TiN and TaC reinforced Stir Casted Vitallium Metal Matrix Composite

description: In this work, influence of machining parameters of the electro discharge machining (EDM) and Abrasive-water jet machining (AWJM) processes on the material removal rate, tool wear rate and surface roughness of the composites were investigated. Titanium nitride and tantalum carbide particles reinforced vitallium composite material was synthesized by stir casting method. The machining characteristics were analyzed through Taguchi and ANOVA methods. The Taguchi optimization technique was used to find the optimal level of parameters while the percentage of contribution for each input parameter on the responses was computed by ANOVA. Scanning electron microscope (SEM) was employed to examine the surface morphology.
DOI: 10.6084/m9.figshare.14305788.v1
title: Thermal Fatigue Analysis of Hot Forging Closed Dies

description: Abstract The aim of this work is to develop a numerical subroutine for the commercial finite element method software QFORM VX 8.1.4 capable of predicting, simultaneously, regions of closed dies which are prone to thermal fatigue as well as the number of cycles required for thermal fatigue cracking. The numerical subroutine was based on Manson (thermal fatigue) and Coffin-Manson (number of cycles) equations. Hot forging of AISI 1045 grinding balls using AISI H13 closed dies was performed and the numerical and experimental results were compared. The findings indicated that after forging 66 grinding balls, the numerical model achieved steady state for the temperature inside the die. After forging 600 grinding balls, both the experimental and numerical results showed that the regions of the dies subjected to the highest thermal gradient were prone to thermal fatigue. In addition to that, the numerically predicted values for the onset of thermal cracking were consistent with the experimental results: 517 and 600 cycles, respectively.
DOI: 10.6084/m9.figshare.14305785.v1
title: Co-doped p-type ZnO:Al-N Thin Films Grown by RF-Magnetron Sputtering at Room Temperature

description: This study reports the structural properties of zinc oxide thin films co-doped with aluminum and nitrogen (ZnO:Al-N) grown by RF magnetron sputtering from an AZO (ZnO with 2 wt% Al2O3) target under nitrogen (N2) atmosphere at room temperature (RT). Nitrogen partial pressures of 0.00, 0.10, 0.25 and 1.00 mTorr were used. The film thickness was around 270 nm. Ultraviolet-Vis-NIR transmittance (T) spectra of the films revealed T values of 80 to 85% in the 400 to 700 nm wavelength range. XRD results indicated that the films had a hexagonal wurtzite structure and were preferentially oriented in the (002) plane. Analyses by EDS indicated that the N atoms tend to be incorporated into the ZnO matrix at the expense of oxygen atoms. The ideal [N]/[Al] was obtained at a N2 partial pressure of 0.25 mTorr, producing a p-type film. For a [N]/[Al] of 1.53, the film also exhibited p-type conduction with an electrical resistivity of 31.92 Ω cm, mobility of 18.65 cm2/V s and carrier density of 1.22 x 1016 cm-3. The low carrier density is attributed to the energetically favorable formation of inactive nitrogen phases instead of acceptor-receiver-acceptor complexes, even at the ideal [N]/[Al].
DOI: 10.6084/m9.figshare.14305782.v1
title: Comparison of RF and Pulsed Magnetron Sputtering for the Deposition of AZO Thin Films on PET

description: AZO thin films (around 200 nm thick) were grown on polyethylene terephthalate (PET) at room temperature. The plasma was activated using a 13.56 MHz (RF) or a 15 kHz pulsed (PMS) source at a power of 60 W. Optical reflection and transmittance were measured using a UV-Vis-NIR spectrometer over the wavelengths from 190 nm to 2500 nm. All samples show average transmittances greater than 83% in the visible region. The electrical resistivity was measured by the linear four-point probe method to be around 0.001 Ωcm for 200 nm-thick AZO films grown by PMS. XRD results indicated that the films had a hexagonal wurtzite structure and were preferentially oriented in the (002) plane. The surface morphology of the AZO thin films was characterized using Scanning Electron Microscopy (SEM); film chemical composition was studied using Energy Dispersive X-ray Spectroscopy (EDS). For this, an EDS coupled to the Scanning Electron Microscope was used. Only for films grown by PMS were no cracks observed.
DOI: 10.6084/m9.figshare.14305779.v1
title: Plasma Species and Coating Compositions in Aluminum Treated by PEO Using Shot Square Pulse

description: Abstract Up to now, plasma electrolytic oxidation (PEO) has been either produced direct current or ultra-low frequency (&lt; 1 kHz) pulsed discharge using high concentration alkaline-silicate electrolytic (Na2SiO3 &gt; 8 g.L-1 with presence of KOH). In order to contribute to these studies, the effect of current pulse width and time duration was investigated using diluted silicate electrolytic (Na2SiO3 2 g.L-1) and high pulse frequencies (&gt; 1 kHz). The PEO process was performed on pure aluminum to try to explain how the phases composing the coatings are formed and distributed over the treatment time. For this, was made in situ monitoring using optical emission spectroscopy (OES) coupled with CCD camera. The crystalline phases evolution in the sample surface was investigated using grazing incidence X-ray diffraction (GIXRD). Regarding the evolution of ceramic phases, it is possible to verify that, internally, the predominant phase is rhombohedral α-Al2O3 but, superficially, the predominant phase is cubic γ-Al2O3. It was verified the presence of Si on the borders of the pores or in proximity to cracks, especially in the treatments with higher pulse width. SEM analysis shows a reduction of the superficial porosity and an increase in coating thickness with pulse width and treatment time.
DOI: 10.6084/m9.figshare.14305777.v1
title: Effect of Water Content and MgO / ADP Ratio on the Properties of Magnesium Phosphate Cement

description: Abstract Materials such as magnesium phosphate cement (MPC) have attracted significant attention of researchers, therefore, understanding the effects of dosage parameters, such as water content and MgO/NH4H2PO4 ratio on phase formation is essential for obtaining cementitious matrices with improved performance. In the present work MgO was sintered at 900 °C and 1110 °C in a conventional oven, and the effect of water concentration and MgO/NH4H2PO4 (or ADP) ratio on the properties of MPC was evaluated in terms of phase formation by X-ray diffraction, pore size distribution, mechanical properties, and microstructure. For less-reactive MgO (calcined at 1100 °C) with a high MgO/ADP ratio, increased water content did not cause additional solubilization of ADP or formation of more hydrated phases, although the cement porosity increased. Compositions with more reactive MgO (calcined up to 900 °C) formed dittmarite (NH4MgPO4.H2O) independent of water content. Higher water content and MgO calcination temperature were associated with increased MPC setting time and decreased mechanical strength due to higher porosity.
DOI: 10.6084/m9.figshare.14305775.v1
title: Effect of Heat Treatment Conditions on the Mechanical Properties and Machinability of Ti15SnxCu Alloys

description: Abstract In the current work, the microstructure, mechanical properties and machinability of Ti15SnxCu alloys (x = 0 to 2 wt. %) were investigated. The alloy was prepared by the vacuum arc remelting and casting route and then thermally processed by solutionizing at 1000 °C for 2 hours, followed by water quenching. By controlling the heat-treated condition and Cu content, the highest bending strength and modulus were obtained from three-point bending testing. The increases were mainly caused by the strengthening effects of the formation of crystallites with fine grain size and nano-Ti2Cu precipitate phase. In addition, nano-Ti2Cu precipitation was caused by crack initiation and propagation, which reduced the ductility and improved the machinability of Ti15Sn2Cu alloy.
DOI: 10.6084/m9.figshare.14305773.v1
title: Photoluminescence, Photoacoustic and Structural Characteristics of Polycrystalline Zn2TiO4: Ni2+ Semiconductor

description: This work presents the investigation, at room temperature, of Zn2TiO4samples containing Ni2+ ions as substitutional impurities. Samples with molecular formula Zn2(1-x)Ni2xTiO4, where x = 0.00, 0.0007, 0.001, 0.0013, 0.002 and 0.003, in which Zn2+ ions were replaced by Ni2+ ions, were prepared through solid-state method, crystalline data were obtained by X-ray diffraction, the elemental composition was determined by X-ray fluorescence and the optical properties were investigated through photoluminescence and photoacoustic techniques. The photoluminescence spectra showed broadbands from 640 nm to 800 nm. The emission of the Zn2(1-x)Ni2xTiO4 samples was assigned to the overlapping of the Ni2+and the Zn2TiO4 emission. The most intense photoluminescence signal was obtained with excitation radiation at a wavelength of 360 nm for the sample with x = 0.001. The photoacoustic spectra showed absorption bands characteristic of semiconductor materials due to the host Zn2TiO4. The energy bandgap of the Zn2(1-x)Ni2xTiO4was obtained from photoacoustic absorption spectra.
DOI: 10.6084/m9.figshare.14305770.v1
title: Glycidyl Methacrylate-ethylene Glycol Dimethacrylate Copolymers with Varied Pore Structures Prepared with Different Reaction Parameters

description: Abstract Copolymers based on glycidyl methacrylate (GMA) are considered attractive as sorbents because the epoxy groups can be easily converted into other groups. Studies involving the influence of the synthesis parameters on the morphological characteristics of these copolymers are scarce. This work investigates the synthesis of copolymers of poly(GMA-co-EGDMA) with different porosity degrees obtained by varying the synthesis parameters. GMA-EGDMA copolymers were synthesized by suspension polymerization employing varied conditions and characterized by measuring apparent density, surface area and pore volume distribution, optical and scanning electron microcopies, FT-IR, thermogravimetry and titration of epoxide rings. The copolymer with highest surface area and pore volume (260.4 m2/g and 0.5 cm3/g) was prepared employing cyclohexane as diluent, 80% EGDMA in monomeric composition and 100% of dilution degree. There was a relation between the epoxide content of the copolymers determined by titration and the residue content formed in the first decomposition stage.
DOI: 10.6084/m9.figshare.14305768.v1
title: Isothermal omega Assisted Alpha Phase Precipitation and Microstructural Evolution of an Aged Ti-30Nb-3Fe Alloy

description: The mechanical behavior of metastable β Ti alloys can be controlled through heat treatments. Thus, the relationship between the precipitation of α phase and the mechanical properties of these alloys is of special interest. In this work, the microstructure evolution of Ti-30Nb-3Fe alloy during aging heat treatments was evaluated using optical microscopy, scanning electron microscopy and X-ray diffraction. Moreover, Vickers hardness and elastic modulus were measured as a function of aging time. Finally, the ultimate strength and ductility of the alloy aged at 500 °C was assessed by tensile tests. In comparison to a Ti-30Nb alloy, the addition of Fe lowered the β-transus temperature, decreased the martensite start temperature to a value below room temperature, increased the precipitation temperature and reduced the dissolution temperature of ω phase, and lastly, decreased the α phase precipitation temperature. Low heating rates enabled isothermal ω phase precipitation and growth, providing favorable conditions for α phase precipitation and increasing the amount of α phase precipitates. Compared to the solution heat-treated and water-quenched condition, aging heat-treated Ti-30Nb-3Fe alloy presented higher Vickers hardness and mechanical strength, without significant loss of ductility.
DOI: 10.6084/m9.figshare.14305766.v1
title: Optical Dynamics at the Au/ZnPc Interfaces

description: In this work, the optical dynamics and the structural properties of the zinc phthalocyanine which are coated onto 150 nm thick Au substrates are studied by the X-ray diffraction and optical spectrophotometry techniques. The Au/ZnPc interfaces appears to be strongly affected by the large lattice mismatches at the interface. It is observed that the coating ZnPc onto Au substrates increases the light absorbability by 4.7 and 128.2 times in the visible and infrared regions of light, respectively. Au substrates activated the free carrier absorption mechanism in the ZnPc thin films in the infrared range of light. In addition, the transparent Au substrates forced narrowing the energy band gap in both of the Q and B bands. It also increased the dielectric constant value by ~3.5 times in the IR range. The enhancements in the optical properties of ZnPc that resulted from the thin Au substrates make the ZnPc more suitable for optoelectronic, nonlinear optical applications and for electromagnetic energy storage in the infrared range of light.
DOI: 10.6084/m9.figshare.14305763.v1
title: Metamaterial Control of Hybrid Multifunctional High-Tc Superconducting Photonic Crystals for 1D Quasi-periodic Structure Potential Applications

description: Abstract In the present work, electromagnetic wave properties of the Fibonacci one-dimention photonic crystal (1DPC) structure consisting of double negative materials incorporated high Tc superconductor are theoretically investigated. It is found that the quasi-periodic structure created a photonic band gap as a periodic structure. We have calculated the transmittance spectra and noticed a wide band gap which can be controlled in it by the thickness of metamaterial, superconductor layer and incidence angle.Photonic band gap became more noticeable by increasing the thickness of the metamaterial and superconductor layers. The structure was affected by changing the incident angle and the band gap width increase with a noticeable shift to short wavelength region. Additionally, the photonic band gap shifted to longer wavelength value with increasing the operating tempeature. Furthermore, we have studied the pressure effects and we found the change in the location and width of photonic band gap.