Search results for: ductile-to-brittle transition temperature (DBTT)

Authors: K. P. Shinde, M. V. Tien, H. Lin, H.-R. Park, S.-C.Yu, K. C. Chung, D.-H. Kim

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Magnetic refrigeration provides an attractive alternative cooling technology due to its potential advantages such as high cooling efficiency, environmental friendliness, low noise, and compactness over the conventional cooling techniques based on gas compression. Magnetocaloric effect (MCE) occurs by changes in entropy (ΔS) and temperature (ΔT) under external magnetic fields. We have been focused on identifying materials with large MCE in two temperature regimes, not only room temperature but also at cryogenic temperature for specific technological applications, such as space science and liquefaction of hydrogen in fuel industry. To date, the commonly used materials for cryogenic refrigeration are based on hydrated salts. In the present work, we report giant MCE in rare earth Ho2O3 nanopowder at cryogenic temperature. HoN nanoparticles with average size of 30 nm were prepared by using plasma arc discharge method with gas composition of N2/H2 (80%/20%). The prepared HoN was sintered in air atmosphere at 1200 oC for 24 hrs to convert it into oxide. Structural and morphological properties were studied by XRD and SEM. XRD confirms the pure phase and cubic crystal structure of Ho2O3 without any impurity within error range. It has been discovered that Holmium oxide exhibits giant MCE at low temperature without magnetic hysteresis loss with the second-order antiferromagnetic phase transition with Néels temperature around 2 K. The maximum entropy change was found to be 25.2 J/kgK at an applied field of 6 T.

Keywords: magnetocaloric effect, Ho₂O₃, magnetic entropy change, nanopowder

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Authors: Angelina Anani, Ignacio Ortiz Flores, Haitao Li

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The use of underground mining methods have increased significantly over the past decades. This increase has also been spared on by several mines transitioning from surface to underground mining. However, determining the transition depth can be a challenging task, especially when coupled with production schedule optimization. Several researchers have simplified the problem by excluding operational features relevant to production schedule optimization. Our research objective is to investigate the extent to which operational features of transition mines accounted for affect the optimal production schedule. We also provide a framework for factors to consider in production schedule optimization for transition mines. An integrated mixed-integer linear programming (MILP) model is developed that maximizes the NPV as a function of production schedule and transition depth. A case study is performed to validate the model, with a comparative sensitivity analysis to obtain operational insights.

Keywords: underground mining, transition mines, mixed-integer linear programming, production schedule

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Authors: Fatemeh Alsadat Miri, Morteza Ehsani, Hossein Ali Khonakdar, Behjat Kavyani

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This paper studies the effect of nano glass flakes on morphology, dynamic-mechanical properties, and crystallization behavior of poly (ethylene terephthalate) (PET). The concentration of nano glass flakes was varied from 0.5, 1, 2, and 3% wt of the total formulation. Scanning electron microscopy (SEM) micrographs showed the poor distribution of nano-glass flake particles in PET, as well as low adhesion of particles to the polymer matrix. According to differential scanning calorimetry (DSC), the crystallization rate and crystallization temperature of PET were increased by the addition of nano glass flakes. The crystallization rate of PET was increased from 31.41% to 34.25% by the incorporation of 1%wt of nano glass flakes. Based on the results of the dynamic-mechanical analysis, the storage modulus of PET gets increased by adding nano glass flakes, especially below glass transition temperature (Tg). The glass transition of PET did not change remarkably with the addition of nano glass flakes. Moreover, the use of nano glass flakes reduced the impact strength of PET.

Keywords: PET, nano glass flakes, morphology, crystallization

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Authors: Syed A. Bukhari, Ankur Goswmai, Dale Hume, Thomas Thundat

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Here we demonstrate mechanical detection of photo-induced Insulator to metal transition (MIT) in ultra-thin vanadium dioxide (VO₂) micro strings by using < 100 µW of optical power. Highly focused laser beam heated the string locally resulting in through plane and along axial heat diffusion. Localized temperature increase can cause temperature rise > 60 ºC. The heated region of VO₂ can transform from insulating (monoclinic) to conducting (rutile) phase leading to lattice compressions and stiffness increase in the resonator. The mechanical frequency of the resonator can be tuned by changing optical power and wavelength. The first mode resonance frequency was tuned in three different ways. A decrease in frequency below a critical optical power, a large increase between 50-120 µW followed by a large decrease in frequency for optical powers greater than 120 µW. The dynamic mechanical response was studied as a function of incident optical power and gas pressure. The resonance frequency and amplitude of vibration were found to be decreased with increasing laser power from 25-38 µW and increased by1-2 % when the laser power was further increased to 52 µW. The transition in films was induced and detected by a single pump and probe source and by employing external optical sources of different wavelengths. This trend in dynamic parameters of the strings can be co-related with reversible Insulator to metal transition in VO₂ films which creates change in density of the material and hence the overall stiffness of the strings leading to changes in string dynamics. The increase in frequency at a particular optical power manifests a transition to a more ordered metallic phase which tensile stress onto the string. The decrease in frequency at higher optical powers can be correlated with poor phonon thermal conductivity of VO₂ in conducting phase. Poor thermal conductivity of VO₂ can force in-plane penetration of heat causing the underneath SiN supporting VO₂ which can result as a decrease in resonance frequency. This noninvasive, non-contact laser-based excitation and detection of Insulator to metal transition using micro strings resonators at room temperature and with laser power in few µWs is important for low power electronics, and optical switching applications.

Keywords: thermal conductivity, vanadium dioxide, MEMS, frequency tuning

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Authors: Ratchanon Boonachathong, Bordin Kaewnok, Suksun Amornraksa

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Rigid polyurethane foam (RPUF) used for imitation wood is typically prepared by using 1-Dichloro-1-fluoroethane (HCFC-141b) as a blowing agent. However, this chemical is a hydrofluorocarbon which severely causes ozone depletion to the atmosphere. In this work, a more environmental-friendly RPUF was prepared by using distilled water and cyclopentane (CP) as alternative blowing agent. Several properties of the prepared RPUF were investigated and measured such as density (kg/m³), surface hardness (shore D), and glass transition temperature (°C). It was found that when the amount of the blowing agents decreased, the foam density is increased as well as the surface hardness and glass transition temperature. The results showed that the proper amount of water and cylopentane blowing agent is around 0.3–1.2% and 0.5-1.3% respectively. And the new RPUF produced has a good potential to substitute for a conventional RPUF.

Keywords: blowing agent, cyclopentane co-blown, imitation wood, rigid polyurethane foam, surface hardness

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Authors: Sulalit Bandyopadhyay, Muhammad Awais Ashfaq Alvi, Anuvansh Sharma, Wilhelm R. Glomm

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Release of drugs from nanogels and nanogel-based systems can occur under the influence of external stimuli like temperature, pH, magnetic fields and so on. pNIPAm-AAc nanogels respond to the combined action of both temperature and pH, the former being mostly determined by hydrophilic-to-hydrophobic transitions above the volume phase transition temperature (VPTT), while the latter is controlled by the degree of protonation of the carboxylic acid groups. These nanogels based systems are promising candidates in the field of drug delivery. Combining nanogels with magneto-plasmonic nanoparticles (NPs) introduce imaging and targeting modalities along with stimuli-response in one hybrid system, thereby incorporating multifunctionality. Fe@Au core-shell NPs possess optical signature in the visible spectrum owing to localized surface plasmon resonance (LSPR) of the Au shell, and superparamagnetic properties stemming from the Fe core. Although there exist several synthesis methods to control the size and physico-chemical properties of pNIPAm-AAc nanogels, yet, there is no comprehensive study that highlights the dependence of incorporation of one or more layers of NPs to these nanogels. In addition, effective determination of volume phase transition temperature (VPTT) of the nanogels is a challenge which complicates their uses in biological applications. Here, we have modified the swelling-collapse properties of pNIPAm-AAc nanogels, by combining with Fe@Au NPs using different solution based methods. The hydrophilic-hydrophobic transition of the nanogels above the VPTT has been confirmed to be reversible. Further, an analytical method has been developed to deduce the average VPTT which is found to be 37.3°C for the nanogels and 39.3°C for nanogel coated Fe@Au NPs. An opposite swelling –collapse behaviour is observed for the latter where the Fe@Au NPs act as bridge molecules pulling together the gelling units. Thereafter, Cyt C, a model protein drug and L-Dopa, a drug used in the clinical treatment of Parkinson’s disease were loaded separately into the nanogels and nanogel coated Fe@Au NPs, using a modified breathing-in mechanism. This gave high loading and encapsulation efficiencies (L Dopa: ~9% and 70µg/mg of nanogels, Cyt C: ~30% and 10µg/mg of nanogels respectively for both the drugs. The release kinetics of L-Dopa, monitored using UV-vis spectrophotometry was observed to be rather slow (over several hours) with highest release happening under a combination of high temperature (above VPTT) and acidic conditions. However, the release of L-Dopa from nanogel coated Fe@Au NPs was the fastest, accounting for release of almost 87% of the initially loaded drug in ~30 hours. The chemical structure of the drug, drug incorporation method, location of the drug and presence of Fe@Au NPs largely alter the drug release mechanism and the kinetics of these nanogels and Fe@Au NPs coated with nanogels.

Keywords: controlled release, nanogels, volume phase transition temperature, l-dopa

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Authors: Manwendra Kumar Tripathi, Subhas Ganguly

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A few glass forming ability expressions in terms of characteristic temperatures have been proposed in the literature. Attempts have been made to correlate the expression with the critical diameter of the bulk metallic glass composition. However, with the advent of new alloys, many exceptions have been noted and reported. In the present approach, a genetic programming based code which generates an expression in terms of input variables, i.e., three characteristic temperatures viz. glass transition temperature (Tg), onset crystallization temperature (Tx) and offset temperature of melting (Tl) with maximum correlation with a critical diameter (Dmax). The expression evolved shows improved correlation with the critical diameter. In addition, the expression can be explained on the basis of time-temperature transformation curve.

Keywords: glass forming ability, genetic programming, bulk metallic glass, critical diameter

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Authors: Kamel Agroui, George Collins, Rydha Yaiche

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The objective of this study is to better understand the thermal characteristics and molecular behaviour of cured EVA before and after outdoor exposure. Thermal analysis methods as DSC, TSC and DMTA studies were conducted on EVA material. DSC experiments on EVA show a glass transition at about -33.1° C which is characteristic of crystalline phase and an endothermic peak at temperature of 55 °C characteristic of amorphous phase. The magnitude of the integrated temperature DSC peak for EVA is 14.4 J/g. The basic results by TSC technique is that there are two relaxations that are reproducibly observed in cured EVA encapsulant material. At temperature polarization 85°C, a low temperature relaxation occurs at –24.4°C and a high temperature relaxation occurs at +30.4ºC. DMTA results exhibit two tan peaks located at -14.9°C and +66.6°C. After outdoor exposure cured EVA by DSC analysis revealed two endothermic peaks due to post crystallization phenomenon and TSC suggests that prolonged exposure selectively effects the poly(vinyl acetate)-rich phase, with much less impact on the polyethylene-rich phase.

Keywords: EVA, encapsulation process, PV module, thermal analysis, quality control

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Authors: Pauline Ribert, Gaelle Roudaut, Sebastien Dupont, Laurent Beney

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Yeasts, anhydrobiotic organisms, can survive extreme water disturbances, thanks to the prolonged and reversible suspension of their cellular activity as well as the establishment of a defense arsenal. This property is exploited by many industrialists. One of the protection systems implemented by yeast is the vitrification of its cytoplasm by trehalose. The thermal resistance of dry yeasts is a crucial parameter for their use. However, studies on the thermal resistance of dry yeasts are often based on yeasts produced in laboratory conditions with non-optimal drying processes. We, therefore, propose a study on the thermal resistance of industrial dry yeasts in relation to their thermophysical properties. Heat stress was applied at three temperatures (50, 75, and 100°C) for 10, 30, or 60-minute treatments. The survival of yeasts to these treatments was estimated, and their thermophysical properties were studied by differential scanning calorimetry. The industrial dry yeasts resisted 60 minutes at 50°C and 75°C and 10 minutes at a temperature close to 100°C. At 100°C, yeast was above their glass transition temperature. Industrial dry yeasts are therefore capable of withstanding high thermal stress if maintained in a specific thermophysical state.

Keywords: dry yeast, glass transition, thermal resistance, vitrification

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Authors: Ravinder Dachepalli, Naveena Gadwala, K. Vani

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Nd and Er substituted bismuth nano crystalline multifunctional materials were prepared by citrate gel autocombution technique. The structural characterization was carried out by XRD and SEM. Electrical properties such are electrical conductivity and dielectric properties have been measured. Plots of electrical conductivity versus temperature increases with increasing temperature and shown a transition near Curie temperature. Dielectric properties such are dielectric constant and dielectric loss tangent have been measured from 20Hz to 2 MHz at room temperature. Plots of dielectric constant versus frequency show a normal dielectric behaviour of multifunctional materials. Temperature dependence of magnetic properties of Bi-Nd and Bi-Er multi-functional materials were carried out by using Vibrating sample magnetometer (VSM). The magnetization as a function of an applied field ±100 Oe was carried out at 3K and 360 K. Zero field Cooled (ZFC) and Field Cooled (FC) magnetization measurements under an applied field of 100Oe a in the temperature range of 5-375K. The observed results can be explained for spintronic devices.

Keywords: Bi-Nd and Bi-Er Multifunctional Materia, Citrate Gel Auto combustion Technique, FC-ZFC magnetization, Dielectric constant

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Authors: Hamza Javar Magnier, Robin Curtis

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There have been rapid advances in the upstream processing of protein therapeutics, which has shifted the bottleneck to downstream purification and formulation. Finding liquid formulations with shelf lives of up to two years is increasingly difficult for some of the newer therapeutics, which have been engineered for activity, but their formulations are often viscous, can phase separate, and have a high propensity for irreversible aggregation1. We explore means to develop improved predictive ability from a better understanding of how protein-protein interactions on formulation conditions (pH, ionic strength, buffer type, presence of excipients) and how these impact upon the initial steps in protein self-association and aggregation. In this work, we study the initial steps in the aggregation pathways using a minimal protein model based on square-well potentials and discontinuous molecular dynamics. The effect of model parameters, including range of interaction, stiffness, chain length, and chain sequence, implies that protein models fold according to various pathways. By reducing the range of interactions, the folding- and collapse- transition come together, and follow a single-step folding pathway from the denatured to the native state2. After parameterizing the model interaction-parameters, we developed an understanding of low-temperature conformational properties and fluctuations, and the correlation to the folding transition of proteins in isolation. The model fluctuations increase with temperature. We observe a low-temperature point, below which large fluctuations are frozen out. This implies that fluctuations at low-temperature can be correlated to the folding transition at the melting temperature. Because proteins “breath” at low temperatures, defining a native-state as a single structure with conserved contacts and a fixed three-dimensional structure is misleading. Rather, we introduce a new definition of a native-state ensemble based on our understanding of the core conservation, which takes into account the native fluctuations at low temperatures. This approach permits the study of a large range of length and time scales needed to link the molecular interactions to the macroscopically observed behaviour. In addition, these models studied are parameterized by fitting to experimentally observed protein-protein interactions characterized in terms of osmotic second virial coefficients.

Keywords: protein folding, native-ensemble, conformational fluctuation, aggregation

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Authors: Pravin M. Tirmali, Sagar M. Mane, Snehal L. Kadam, Shriniwas B. Kulkarni

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The La₂NiMnO₆ has been extensively studied for its ferromagnetic and magneto-dielectric properties. The La₂NiMnO₆ double perovskite is modified by partial substitution at B site by Fe transition metal. The La₂Ni₁₋ₓFeₓMnO₆ powder samples were synthesized by hydroxide co-precipitation method. The precipitate was dried and fine griended to form powder and pellet samples (2cm dia.) using hydraulic press. The powder and pellet samples of La₂Ni₁₋ₓFeₓMnO₆ were calcined at high temperature 1200°C to form a pure and stable composition. The nano polar regions (NPR) around Ni²⁺ or Mn⁴⁺ ions due to the cationic antisite disorder gives dielectric relaxation through their mutual interaction. The magneto-dielectric behavior is observed in substituted La₂NiMnO₆ shows Maxwell-Wagner and Debye relaxation due to grain boundary, interface and antisite defects. The magneto-dielectric properties of substituted La₂NiMnO₆ pellet sample were probed by Impedance spectroscopy measurements. The structural and magnetic investigations were also carried out by XRD, FESEM and VSM measurements of substituted La₂NiMnO₆ of powder samples. The synthesized La₂Ni₁₋ₓFeₓMnO₆ powder samples are polycrystalline and ferromagnetic in nature. The La₂Ni₁₋ₓFeₓMnO₆ samples exhibit ferromagnetic disorder with transition temperature near room temperature.

Keywords: La₂NiMnO₆, nano polar regions (NPR), antisite defects, magnetodielctric

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Authors: Ramovatar, Neeraj Panwar

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Lead free Ba₀.₉₈Ca₀.₀₂SnxTi₁₋ₓO₃ (x = 0.01 and 0.05 mole %) ferroelectric ceramics have been synthesized by the solid-state reaction method with sintering at 1400 °C for 2 h. The room temperature x-ray diffraction (XRD) patterns identified the tetragonal phase for x = 0.01 composition whereas co-existence of tetragonal and orthorhombic phases for x =0.05 composition. Raman spectroscopy results corroborated with the XRD results at room temperature. The maximum dielectric properties (ɛm ~ 8591, tanδ ~ 0.018) were obtained for the compound with x = 0.01 at 5 kHz. Further, the tetragonal to cubic (TC) transition temperature was observed at 122 °C and 102 °C for the ceramics with x =0.01 and x = 0.05, respectively. The temperature dependent P-E loops also revealed the existence of TC at these particular temperature values. The energy storage density (Ed) of both compounds was calculated from room temperature P – E loops at an applied electric field of 20 kV/cm. The maximum Ed ~ 224 kJ/m³ was achieved for the sample with x = 0.01 as compared to 164 kJ/m³ for the x =0.05 composition. The value of Ed is comparable to other BaTiO₃ based lead free ferroelectric systems. Impedance spectroscopy analysis exhibited the bulk and grain boundary contributions above 300 °C under the frequency range 100 Hz to 1 MHz. The above properties make these ceramics suitable for energy storage devices.

Keywords: dielectric properties, energy storage properties, impedance spectroscopy, lead free ceramics

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Authors: Renu Gupta, Ashim K. Pramanik

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We report the evolution of structure and magnetic properties in perovskite ruthenates Sr1-xPrxRuO3 (x = 0.0 and 0.1). Our main expectations, to induce the structural modification and change the Ru charge state by Pr doping at Sr site. By the Pr doping on Sr site retains orthorhombic structure while we find a minor change in structural parameters. The SrRuO3 have itinerant type of ferromagnetism with ordering temperature ~160 K. By Pr doping, the magnetic moment decrease and ZFC show three distinct peaks (three transition temperature; TM1, TM2 and TM3). Further analysis of magnetization of both samples, at high temperature follow modified CWL and Pr doping gives Curie temperature ~ 129 K which is close to TM2. Above TM2 to TM3, the inverse susceptibility shows upward deviation from CW behavior, indicating the existence AFM like clustered in this regime. The low-temperature isothermal magnetization M (H) shows moment decreases by Pr doping. The Arrott plot gives spontaneous magnetization (Ms) which also decreases by Pr doping. The evolution of Rhodes-Wohlfarth ratio increases which suggests the FM in this system evolves toward the itinerant type by Pr doping.

Keywords: itinerant ferromagnet, Perovskite structure, Ruthenates, Rhodes-Wohlfarth ratio

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Authors: S. Meziane, H. I. Faraoun, C. Esling

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Transition metal dichalcogenides have potential applications in power generation devices that convert waste heat into electric current by the so-called Seebeck and Hall effects thus providing an alternative energy technology to reduce the dependence on traditional fossil fuels. In this study, the thermoelectric properties of 1T and 2HTaX2 (X= S or Se) dichalcogenide superconductors have been computed using the semi-classical Boltzmann theory. Technologically, the task is to fabricate suitable materials with high efficiency. It is found that 2HTaS2 possesses the largest value of figure of merit ZT= 1.27 at 175 K. From a scientific point of view, we aim to model the underlying materials properties and in particular the transport phenomena as mediated by electrons and lattice vibrations responsible for superconductivity, Charge Density Waves (CDW) and metal/insulator transitions as function of temperature. The goal of the present work is to develop an understanding of the superconductivity of these selected materials using the transport properties at the fundamental level.

Keywords: Ab initio, High efficiency, Power generation devices, Transition metal dichalcogenides

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Authors: Hadda Krarcha, S. Messaasdi

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In order to investigate Hafnium transition metal alloys HfM (M= Co, Ir, Os,Pt, Rh, Ru) phase diagrams in the region of 50/50% atomic ratio, we performed ab initio Full-Potential Linearized Augmented Plane Waves calculations of the enthalpies of formation of HfM compounds at B2 (CsCl) structure type. The obtained enthalpies of formation are discussed and compared to some of the existing models and available experimental data.

Keywords: enthalpy of formation, transition metal, binarry compunds, hafnium

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Authors: Carlos A. Acosta, Amar Bhalla, Ruyan Guo

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Scraped surface heat exchangers (SSHE) use a rotor shaft assembly with scraping blades to homogenize viscous fluids during the heat transfer process. Obtaining in-situ measurements is difficult because the rotor and scraping blades spin continuously inside the mixing chamber, obstructing the instrumentation pathway. Computational fluid dynamics simulations provide useful insight into the flow behavior around the scraper blades for a variety of fluids and blade geometries. However, numerical solutions often focus on the fluid dynamics and heat transfer phenomena of rotating flow, ignoring the glass-transition temperature and freezing point depression. This research studies the multi-phase fluid dynamics and freezing point depression inside the SSHE with non-isothermal conditions in a time dependent process using an aqueous solution that contains 13.5 wt.% high fructose corn syrup and CO₂. The computational results were validated with in-situ pressure, temperature, and optical spectroscopy measurements. Results from the numerical model show good quantitatively agreement with experimental values.

Keywords: computational fluid dynamics, freezing point depression, phase-transition temperature, multi-phase flow

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Authors: Arseniy M. Kondratyev, Sergey V. Onufriev, Alexander I. Savvatimskiy

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The microsecond electrical pulse heating technique which provides uniform energy input into an investigated specimen is considered. In the present study we investigated ZrC+C carbide specimens in a form of a thin layer (about 5 microns thick) that were produced using a method of magnetron sputtering on insulating substrates. Specimens contained (at. %): Zr–17.88; C–67.69; N–8.13; O–5.98. Current through the specimen, voltage drop across it and radiation at the wavelength of 856 nm were recorded in the experiments. It enabled us to calculate the input energy, specific heat (from 2300 to 4500 K) and resistivity (referred to the initial dimensions of a specimen). To obtain the true temperature a black body specimen was used. Temperature of the beginning and completion of a phase transition (solid–liquid) was measured.Temperature of the onset of melting was 3150 K at the input energy 2.65 kJ/g; temperature of the completion of melting was 3450 K at the input energy 5.2 kJ/g. The specific heat of the solid phase of investigated carbide calculated using our data on temperature and imparted energy, is close to 0.75 J/gК for temperature range 2100–2800 K. Our results are considered together with the equilibrium Zr-C phase diagram.

Keywords: pulse heating, zirconium carbide, high temperatures, melting

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Authors: Jae-Ho Jang, Jung-Soo Kim, Byung-Jun Kim, Dae-Geun Nam, Uoo-Chang Jung, Yoon-Suk Choi

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Low alloy steels are widely used for pressure vessels, spent fuel storage, and steam generators required to withstand the internal pressure and prevent unexpected failure in nuclear power plants, which these may suffer embrittlement by high levels of radiation and heat for a long period. Therefore, it is important to improve mechanical properties of low alloy steels for the integrity of structure materials at an early stage of fabrication. Recently, it showed that a double austenitizing and tempering (DTA) process resulted in a significant improvement of strength and toughness by refinement of prior austenite grains. In this study, it was investigated that the mechanism of improving mechanical properties according to the change of microstructure by the second fully austenitizing temperature of the DAT process for low alloy steel required the structural integrity. Compared to conventional single austenitizing and tempering (SAT) process, the tensile elongation properties have improved about 5%, DBTTs have obtained result in reduction of about -65℃, and grain size has decreased by about 50% in the DAT process conditions. Grain refinement has crack propagation interference effect due to an increase of the grain boundaries and amount of energy absorption at low temperatures. The higher first austenitizing temperature in the DAT process, the more increase the spheroidized carbides and strengthening the effect of fine precipitates in the ferrite grain. The area ratio of the dimple in the transition area has increased by proportion to the effect of spheroidized carbides. This may the primary mechanisms that can improve low-temperature toughness and elongation while maintaining a similar hardness and strength.

Keywords: double austenitizing, Ductile Brittle transition temperature, grain refinement, heat treatment, low alloy steel, low-temperature toughness

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Authors: Nikolay E. Dubinin

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Pair-interaction approximations allow to consider a different states of condensed matter from a single position. At the same time, description of an effective pair interaction in transition metal is a hard task since the d-electron contribution to the potential energy in this case is non-pairwise in principle. There are a number of models for transition-metal effective pair potentials. Here we use the Wills-Harrison (WH) approach to calculate pair potentials for Fe, Co, and Ni in crystalline, liquid, and nano states. Last is especially interesting since nano particles of pure transition metals immobilized on the dielectric matrices are widely used in different fields of advanced technologies: as carriers and transmitters of information, as an effective catalytic materials, etc. It is found that the minimum of the pair potential is deeper and oscillations are stronger in nano crystalline state in comparison with the liquid and crystalline states for all metals under consideration.

Keywords: effective pair potential, nanocrystalline state, transition metal, Wills-Harrison approach

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Authors: Marina E. Konstantinidi

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It is now well-established that the fight against climate change and its consequences, which are a threat to mankind and to life on the planet Earth, requires that global temperature rise be kept under 1,5°C. It is also well-established that this requires humanity to put an end to the use of fossil fuels in the next decades, at the latest. However, investors in the fossil energy sector have brought or threatened to bring investment arbitration claims against States which put an end to their activity for the purpose of reaching their climate change policies’ objectives. Examples of such claims are provided by the cases of WMH v. Canada, Lone Pine v. Canada, Uniper v. Netherlands and RWE v. Netherlands. Irrespective of the outcome of the arbitration proceedings, the risk of being ordered to pay very substantial damages may have a ‘chilling effect’ on States, meaning that they may hesitate to implement the energy transition measures needed to fight climate change and its consequences. Although mitigation action is a relatively recent phenomenon, knowledge about the negative impact of fossil fuels has existed for a long time ago. In this paper, it is argued that structured documentation of evidence of knowledge about climate change may influence the adjudication of investment treaty claims and, consequently, affect the content of energy transition regulations that will be implemented. For example, as concerns investors, evidence that change in the regulatory framework towards environmental protection could have been predicted would refute the argument concerning legitimate expectations for legislative stability. By reference to relevant case law, it attempted to explore how pre-existing knowledge about climate change can be used in the adjudication of investor-State disputes and resulting from green energy transition policies.

Keywords: climate change, energy transition, international investment law, knowledge

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Authors: B. K. Sahoo

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Superior thermoelectric (TE) efficiency of AlₓIn₁₋ₓN /GaN heterostructure (HS) requires a minimum value of thermal conductivity (k). A smaller k would lead to even further increase of TE figure of merit (ZT). The built-in polarization (BIP) electric field of AlₓIn₁₋ₓN /GaN HS enhances S, and σ of the HS, however, the effect of BIP field on k of the HS has not been explored. Study of thermal conductivities (k: without BIP and kp: including BIP) vs temperature predicts pyroelectric behavior of HS. Both k and kp show crossover at a temperature Tp. The result shows that below Tp, kp < k due to negative thermal expansion coefficient (TEC). However, above Tp, kp > k. Above Tp, piezoelectric polarization dominates over spontaneous polarization due to positive TEC. This generates more lattice mismatch resulting in the significant contribution of BIP field to thermal conductivity. Thus, Tp can be considered as primary pyroelectric transition temperature of the material as above Tp thermal expansion takes place which is the reason for the secondary pyroelectric effect. It is found that below Tp, kp is decreased; thus enhancing TE efficiency. For x=0.1, 0.2 and 0.3; Tp are close to 200, 210 and 260 K, respectively. Thus, k of the HS can be modified as per requirement by tailoring the Al composition; making it suitable simultaneously for the design of high-temperature pyroelectric sensors and TE module for maximum power production.

Keywords: AlₓIn₁₋ₓN/GaN heterostructure, built in polarization, pyroelectric behavior, thermoelectric efficiency

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Authors: Pardeep, Yugandhar Bitla, A. K. Patra, G. A. Basheed

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The topological protected nanosized particle-like swirling spin textures, “skyrmion,” has been observed in various ferromagnets with chiral crystal structures like MnSi, FeGe, Cu₂OSeO₃ alloys, however the magnetic ordering in these systems takes place at very low temperatures. For skyrmion-based spintronics devices, the skyrmion phase is required to stabilize in a wide temperature – field (T - H) region. The equilibrium skyrmion phase (SkX) in Co₇Zn₇Mn₆ alloy exists in a narrow T – H region just below transition temperature (TC ~ 215 K) and can be quenched by field cooling as a metastable skyrmion phase (MSkX) below SkX region. To realize robust MSkX at 110 K, field sweep ac susceptibility χ(H) measurements were performed after the zero field cooling (ZFC) and field cooling (FC) process. In ZFC process, the sample was cooled from 320 K to 110 K in zero applied magnetic field and then field sweep measurement was performed (up to 2 T) in positive direction (black curve). The real part of ac susceptibility (χ′(H)) at 110 K in positive field direction after ZFC confirms helical to conical phase transition at low field HC₁ (= 42 mT) and conical to ferromagnetic (FM) transition at higher field HC₂ (= 300 mT). After ZFC, FC measurements were performed i.e., sample was initially cooled in zero fields from 320 to 206 K and then a sample was field cooled in the presence of 15 mT field down to the temperature 110 K. After FC process, isothermal χ(H) was measured in positive (+H, red curve) and negative (-H, blue curve) field direction with increasing and decreasing field upto 2 T. Hysteresis behavior in χ′(H), measured after ZFC and FC process, indicates the stabilization of MSkX at 110 K which is in close agreement with literature. Also, the asymmetry between field-increasing curves measured after FC process in both sides confirm the stabilization of MSkX. In the returning process from the high field polarized FM state, helical state below HC₁ is destroyed and only the conical state is observed. Thus, the robust MSkX state is stabilized below its SkX phase over a much wider T - H region by FC in polycrystalline Co₇Zn₇Mn₆ alloy.

Keywords: skyrmions, magnetic susceptibility, metastable phases, topological phases

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Authors: P. B. Sob, T. B. Tengen, A. A. Alugongo

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Mechanical behavior of 6082T6 aluminum is investigated at different temperatures. The strain rate sensitivity is investigated at different temperatures on the grain size variants. The sensitivity of the measured grain size variants on 3-D grain is discussed. It is shown that the strain rate sensitivities are negative for the grain size variants during the deformation of nanostructured materials. It is also observed that the strain rate sensitivities vary in different ways with the equivalent radius, semi minor axis radius, semi major axis radius and major axis radius. From the obtained results, it is shown that the variation of strain rate sensitivity with temperature suggests that the strain rate sensitivity at the low and the high temperature ends of the 6082T6 aluminum range is different. The obtained results revealed transition at different temperature from negative strain rate sensitivity as temperature increased on the grain size variants.

Keywords: nanostructured materials, grain size variants, temperature, yield stress, strain rate sensitivity

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Authors: Chongtham Jiten, Radhapiyari Laishram, K. Chandramani Singh

Abstract:

Alkaline niobate (Na_0.5K_0.5)NbO₃ ceramic system has attracted major attention in view of its potential for replacing the highly toxic but superior lead zirconate titanate (PZT) system for piezoelectric applications. Recently, a more detailed study of this system reveals that the ferroelectric and piezoelectric properties are optimized in the Li- and V-modified system having the composition (K_0.485Na_0.5Li_0.015)(Nb_0.98V_0.02)O₃. In the present work, we further study the pyroelectric behaviour of this composition along with another doped with Mn⁴⁺. So, (K_0.485Na_0.5Li_0.015)(Nb_0.98V_0.02)O₃ + x MnO₂ (x = 0, and 0.01 wt. %) ceramic compositions were synthesized by conventional ceramic processing route. X-ray diffraction study reveals that both the undoped and Mn⁴⁺-doped ceramic samples prepared crystallize into a perovskite structure having orthorhombic symmetry. Dielectric study indicates that Mn⁴⁺ doping has little effect on both the Curie temperature (T_c) and tetragonal-orthorhombic phase transition temperature (T_ot). The bulk density, room-temperature dielectric constant (ε_RT), and room-c The room-temperature coercive field (E_c) is observed to be lower in Mn⁴⁺ doped sample. The detailed analysis of the P-E hysteresis loops over the range of temperature from about room temperature to T_ot points out that enhanced ferroelectric properties exist in this temperature range with better thermal stability for the Mn⁴⁺ doped ceramic. The study reveals that small traces of Mn⁴⁺ can modify (K_0.485Na_0.5Li_0.015)(Nb_0.98V_0.02)O₃ system so as to improve its ferroelectric properties with good thermal stability over a wide range of temperature.

Keywords: ceramics, dielectric properties, ferroelectric properties, lead-free, sintering, thermal stability

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Authors: Hyery Kang, Dong-Yeun Koh, Yun-Ho Ahn, Huen Lee

Abstract:

Determination of the behavior of clathrate hydrate with inhibitor in the THz region will provide useful information about hydrate plug control in the upstream of the oil and gas industry. In this study, terahertz time-domain spectroscopy (THz-TDS) revealed the inhibition of the THF clathrate hydrate system with dosage of polyvinylpyrrolidone (PVP) with three different molecular weights. Distinct footprints of phase transition in the THz region (0.4–2.2 THz) were analyzed and absorption coefficients and real part of refractive indices are obtained in the temperature range of 253 K to 288 K. Along with the optical properties, ring breathing and stretching modes for different molecular weights of PVP in THF hydrate are analyzed by Raman spectroscopy.

Keywords: clathrate hydrate, terahertz spectroscopy, tetrahydrofuran, inhibitor

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Authors: Emily Gould, Walter Wehremeyer, David Greaves, Rodney Turtle

Abstract:

This paper considers current thinking on the pathway for electric vehicles, identifying the development blocks of alternative innovation within the market and analyse technological lock-in. The relationship between transition pathways and technological lock-in is largely under-researched particularly in the field of e-mobility. This paper is based on a study with three commercial-urban fleets that examines strategic decisions in new technology adaption alongside vehicle procurement and driver perspective. The paper will analyse the fleet’s decision matrix upon electric vehicles and seek to understand the influence of company culture, strategy and technology applicability, within the context of transition pathways.

Keywords: electric vehicles, fleets, path dependencies, transition pathways

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Authors: Bo Keun Lee, Doo Yeon Kwon, Ji Hoon Park, Gun Hee Lee, Ji Hye Baek, Heung Jae Chun, Young Joo Koh, Moon Suk Kim

Abstract:

Thermo-responsive materials are viscoelastic materials that undergo a sol-to-gel phase transition at a specific temperature and many materials have been developed. MPEG-b-PCL (MPC) as a thermo-responsive material contained hydrophilic and hydrophobic segments and it formed an ordered crystalline structure of hydrophobic PCL segments in aqueous solutions. The ordered crystalline structure packed tightly or aggregated and finally induced an aggregated gel through intra- and inter-molecular interactions as a function of temperature. Thus, we introduced anionic and cationic groups into the end positions of the PCL chain to alter the hydrophobicity of the PCL segment. Introducing anionic and cationic groups into the PCL end position altered their solubility by changing the crystallinity and hydrophobicity of the PCL block domains. These results indicated that the properties of the end group in the hydrophobic PCL blockand the balance between hydrophobicity and hydrophilicity affect thermo-responsivebehavior of the copolymers in aqueous solutions. Thus, we concluded that determinant of the temperature-dependent thermo-responsive behavior of MPC depend on the ionic end group in the PCL block. So, we introduced zwitterionic end groups to investigate the thermo-responsive behavior of MPC. Methoxypoly(ethylene oxide) and ε-caprolactone (CL) were randomly copolymerized that introduced varying hydrophobic PCL lengths and an MPC featuring a zwitterionic sulfobetaine (MPC-ZW) at the chain end of the PCL segment. The MPC and MPC-ZW copolymers were obtained formed sol-state at room temperature when prepared as 20-wt% aqueous solutions. The solubility of MPC decreased when the PCL block was increased from molecular weight. The solubilization time of MPC-2.4k was around 20 min and MPC-2.8k, MPC-3.0k increased to 30 min and 1 h, respectively. MPC-3.6k was not solubilized. In case of MPC-ZW 3.6k, However, the zwitterion-modified MPC copolymers were solubilized in 3–5 min. This result indicates that the zwitterionic end group of the MPC-ZW diblock copolymer increased the aqueous solubility of the diblock copolymer even when the length of the hydrophobic PCL segment was increased. MPC and MPC-ZW diblock copolymers that featuring zwitterionic end groups were synthesized successfully. The sol-to-gel phase-transition was formed that specific temperature depend on the length of the PCL hydrophobic segments introduced and on the zwitterion groups attached to the MPC chain end. This result indicated that the zwitterionic end groups reduced the hydrophobicity in the PCL block and changed the solubilization. The MPC-ZW diblock copolymer can be utilized as a potential injectable drug and cell carrier.

Keywords: thermo-responsive material, zwitterionic, hydrophobic, crystallization, phase transition

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Authors: Ali Bakari Mohammed

Abstract:

Transitioning is a continuous process of radical change in a society which involves co-evolution of institutional, technological, socio-cultural, and ecological developments at different scales and levels. Transition management model is a methodology that influences structural change of complex systems over a period (0-30 years) by experimenting and implementing new techniques. A transition management in the context of groundwater is a radical change from the current operate and control system to a next generation integrated and sustainable system that takes into account quality protection and sustained supply into the future. This study evaluates the transition management model in adopting it as a viable tool for the attainment of sustainable groundwater management. The outcome of the evaluation shows that there are three levels (strategic, tactical and operational) of operating the transition management model. At the strategic level, long-term goals for sustainable groundwater management are formulated, at the tactical level activities such as inter institutional networking, negotiation, planning and financing are carried out, and at the operational level, transition experiments and strategic niche management are carried out at the societal level. Overall, different actors and set of activities are required to partake at each management level. The outcome of this paper will provide basis for the implementation of the Sustainable Development Goal (SDG) 6 in Nigeria.

Keywords: transition management, groundwater, sustainable management, tool, Nigeria

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Authors: A. Selmi, A. Bettaibi, H. Rahmouni, R. M’nassri, N. Chniba Boudjada, A. Chiekhrouhou, K. Khirouni

Abstract:

Investigation of magnetic and magnetocaloric properties of Pr₀.₇Ca₀.₃Mn₀.₉M₀.₁O₃ perovskite manganites (M=Cr and Ni) has been carried out. Our compounds were prepared by the conventional solid-state reaction method at high temperatures. Rietveld refinement of X-ray diffraction pattern using FULLPROF method shows that all compounds adopt the orthorhombic structure with Pnma space group. The partial substitution of Mn-site drives the system from charge order state to ferromagnetic one with a Curie temperature T𝒸=150K, 118k and 116K for M=Cr and Ni, respectively. Magnetization measurements versus temperature in a magnetic applied field of 0.05T show that all our samples exhibit a paramagnetic–ferromagnetic transition with decreasing temperature. From M(H) isotherms, we have deduced the magnetic entropy change, which present maximum values of 2.37 J/kg.K and 2.94 J/kg.K, in a magnetic field change of 5T for M=Cr and Ni, respectively.

Keywords: manganites, magnetocaloric, magnetic, refrigeration

Procedia PDF Downloads 49