Search results for: cohesive energies

Authors: Wilmer Esteban Vallejo Narváez, Serguei Fomine

Abstract:

The theoretical investigation of Si-doped graphene nanoflakes (NFs) was conducted to understand their catalytic impact on CO₂ reduction using molecular hydrogen at the Density Functional Theory (DFT) level. The introduction of silicon by substituting carbon induces defects in the NF structure, resulting in a polyradical ground state. This silicon defect significantly boosts reactivity towards substrates, making Si-doped graphene NFs more catalytically active in CO₂ reduction to formic acid compared to silicene. Notably, Si-doped graphene demonstrates a preference for formic acid over carbon monoxide, mirroring the behavior of silicene. Furthermore, investigations into formic acid-to-formaldehyde and formaldehyde-to-methanol conversions reveal instances where Si-doped graphene outperforms silicene in terms of efficacy. In the final reduction step, the methanol-to-methane reaction unfolds in four stages, with the rate-determining step involving hydrogen transfer from silicon to methyl. Notably, the activation energy for this step is lower in Si-doped graphene compared to silicene. Consequently, Si-doped graphene NFs emerge as superior catalysts with lower activation energies overall. Remarkably, throughout these catalytic processes, Si-doped graphene maintains environmental stability, further highlighting its enhanced catalytic activity without compromising graphene's inherent stability.

Keywords: silicon-doped graphene, CO₂ reduction, DFT, catalysis

Procedia PDF Downloads 53

Authors: Abdelmajid Timoumi, Salah Alamri, Hatem Alamri

Abstract:

TiO₂ Graphene Oxide (TiO₂-GO) nanocomposite was prepared using the spin coating technique of suspension of Graphene Oxide (GO) nanosheets and Titanium Tetra Isopropoxide (TIP). The prepared nanocomposites samples were characterized by X-ray diffractometer, Scanning Electron Microscope and Atomic Force Microscope to examine their structures and morphologies. UV-vis transmittance and reflectance spectroscopy was employed to estimate band gap energies. From the TiO₂-GO samples, a 0.25 μm thin layer on a piece of glass 2x2 cm was created. The X-ray diffraction analysis revealed that the as-deposited layers are amorphous in nature. The surface morphology images demonstrate that the layers grew in distributed with some spherical/rod-like and partially agglomerated TiGO on the surface of the composite. The Atomic Force Microscopy indicated that the films are smooth with slightly larger surface roughness. The analysis of optical absorption data of the layers showed that the values of band gap energy decreased from 3.46 eV to 1.40 eV, depending on the grams of GO doping. This reduction might be attributed to electron and/or hole trapping at the donor and acceptor levels in the TiO₂ band structure. Observed results have shown that the inclusion of GO in the TiO₂ matrix have exhibited significant and excellent properties, which would be promising for application in the photovoltaic application.

Keywords: titanium dioxide, graphene oxide, thin films, solar cells

Procedia PDF Downloads 161

Authors: Ahmed Abada, Kadda Amara, Said Hiadsi, Bouhalouane Amrani

Abstract:

Half-metallic properties of new predicted Mn2-based full Heusler alloys Mn2ZrSi and Mn2ZrGe have been studied by first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT). Our investigation is focused on the structural, elastic, electronic and magnetic properties of these compounds. The AlCu2Mn-type structure is found to be energetically more favorable than the CuHg2Ti-type structure for both compounds and are half-metallic ferrimagnets (HMFIs) with total magnetic moments of 2.000 µB per formula unit, well consistent with Slater-Pauling rule (Mtot = ( 24 – Ztot ) µB). Calculations show that both the alloys have an indirect band gaps, in the majority-spin channel, with values of 0.505 eV and 0.278 eV for Mn2ZrSi and Mn2ZrGe, respectively. It was found that Mn2ZrSi and Mn2ZrGe preserved their half-metallicity for lattice constants range of 5.85–6.38 Å and 6.05–6.38 Å, respectively, and kept a 100% of spin polarization at the Fermi level. Moreover, the calculated formation energies and elastic constants confirm that these compounds are stable chemically and mechanically, and the good crystallographic compatibility with the lattice of semiconductors used industrially makes them promising magnetic materials in spintronic applications.

Keywords: first-principles calculations, full Heusler structure, half-metallic ferrimagnets, elastic properties

Procedia PDF Downloads 367

Authors: Arun Prasad, P. B. Ramudu, Deep Shikha, Deep Jyoti Singh

Abstract:

A number of studies have been conducted recently to investigate the influence of randomly oriented fibers on some engineering properties of cohesive soils.Freezing and thawing of soil affects the strength, durability and permeability of soil adversely. Experiments were carried out in order to investigate the effect of inclusion of randomly distributed polypropylene fibers on the strength, hydraulic conductivity and durability of local soil (CL) subjected to freeze–thaw cycles. For evaluating the change in strength of soil, a series of unconfined compression tests as well as tri-axial tests were carried out on reinforced and unreinforced soil samples. All the samples were subjected to seven cycles of freezing and thawing. Freezing was carried out at a temperature of - 15 to -18 °C; and thawing was carried out by keeping the samples at room temperature. The reinforcement of soil samples was done by mixing with polypropylene fibers, 12 mm long and with an aspect ratio of 240. The content of fibers was varied from 0.25 to 1% by dry weight of soil. The maximum strength of soil was found in samples having a fiber content of 0.75% for all the samples that were prepared at optimum moisture content (OMC), and if the OMC was increased (+2% OMC) or decreased (-2% OMC), the maximum strength observed at 0.5% fiber inclusion. The effect of fiber inclusion and freeze–thaw on the hydraulic conductivity was studied increased from around 25 times to 300 times that of the unreinforced soil, without subjected to any freeze-thaw cycles. For studying the increased durability of soil, mass loss after each freeze-thaw cycle was calculated and it was found that samples reinforced with polypropylene fibers show 50-60% less loss in weight than that of the unreinforced soil.

Keywords: fiber reinforcement, freezingand thawing, hydraulic conductivity, unconfined compressive strength

Procedia PDF Downloads 400

Authors: Rui Tu, Yakui Bai, Huailin Li

Abstract:

The lead-bismuth eutectic (LBE) alloy is a promising candidate of coolant in the fast neutron reactors and accelerator-driven systems (ADS) because of its good properties, such as low melting point, high neutron yields and high thermal conductivity. Although the corrosion of the structure materials caused by the liquid metal (LM) coolant is a challenge to the safe operating of a lead-bismuth eutectic nuclear reactor. Thermodynamic theories, experiential formulas and experimental data can be used for explaining the maintenance of the protective oxide layers on stainless steels under satisfaction oxygen concentration, but the atomic scale insights of such anti-corrosion mechanisms are little known. In the present work, the first-principles calculations are carried out to study the effects of oxygen partial pressure on the formation energies of the liquid metal coolant relevant impurity defects in the anti-corrosion oxide films on the surfaces of the structure materials. These approaches reveal the microscope mechanisms of the corrosion of the structure materials, especially for the influences from the oxygen partial pressure. The results are helpful for identifying a crucial oxygen concentration for corrosion control, which can ensure the systems to be operated safely under certain temperatures.

Keywords: oxygen partial pressure, liquid metal coolant, TDDFT, anti-corrosion layer, formation energy

Procedia PDF Downloads 131

Authors: Dafna Knani, Sarit S. Sivan

Abstract:

Aggrecan, one of the main components of the intervertebral disc (IVD), belongs to the family of proteoglycans (PGs) that are composed of glycosaminoglycan (GAG) chains covalently attached to a core protein. Its primary function is to maintain tissue hydration and hence disc height under the high loads imposed by muscle activity and body weight. Significant PG loss is one of the first indications of disc degeneration. A possible solution to recover disc functions is by injecting a synthetic hydrogel into the joint cavity, hence mimicking the role of PGs. One of the hydrogels proposed is GAG-analogues, based on sulfate-containing polymers, which are responsible for hydration in disc tissue. In the present work, we used molecular dynamics (MD) to study the effect of the hydrogel crosslinking (type and degree) on the swelling behavior of the suggested GAG-analogue biomimetics by calculation of cohesive energy density (CED), solubility parameter, enthalpy of mixing (ΔEmix) and the interactions between the molecules at the pure form and as a mixture with water. The simulation results showed that hydrophobicity plays an important role in the swelling of the hydrogel, as indicated by the linear correlation observed between solubility parameter values of the copolymers and crosslinker weight ratio (w/w); this correlation was found useful in predicting the amount of PEGDA needed for the desirable hydration behavior of (CS)₄-peptide. Enthalpy of mixing calculations showed that all the GAG analogs, (CS)₄ and (CS)₄-peptide are water-soluble; radial distribution function analysis revealed that they form interactions with water molecules, which is important for the hydration process. To conclude, our simulation results, beyond supporting the experimental data, can be used as a useful predictive tool in the future development of biomaterials, such as disc replacement.

Keywords: molecular dynamics, proteoglycans, enthalpy of mixing, swelling

Procedia PDF Downloads 75

Authors: María del Carmen Recio-Ruiz, Ramiro Ruiz-Rosas, Juana María Rosas, José Rodríguez-Mirasol, Tomás Cordero

Abstract:

At the present time, conventional fossil fuels show environmental and sustainability disadvantages with regard to renewables energies. Producing energy and chemicals from biomass is an interesting alternative for substitution of conventional fossil sources with a renewable feedstock while enabling zero net greenhouse gases emissions. Pyrolysis is a well-known process to produce fuels and chemicals from biomass. In this work, conventional and fast pyrolysis of different agro-industrial residues (almond shells, hemp hurds, olive stones, and Kraft lignin) was studied. Both processes were carried out in a fixed bed reactor under nitrogen flow and using different operating conditions to analyze the influence of temperature (400-800 ºC) and heating rate (10 and 20 ºC/minfor conventional pyrolysis and 50 ºC/s for fast pyrolysis)on the yields, products distribution, and composition of the different fractions. The results showed that for both conventional and fast pyrolysis, the solid fraction yield decreased with temperature, while the liquid and gas fractions increased. In the case of the fast pyrolysis, a higher content of liquid fraction than that obtained in conventional pyrolysis could be observed due to cracking reactions occur at a lesser extent. With respect to the composition of de non-condensable fraction, the main gases obtained were CO, CO₂ (mainly at low temperatures), CH₄, and H₂ (mainly at high temperatures).

Keywords: bio-oil, biomass, conventional pyrolysis, fast pyrolysis

Procedia PDF Downloads 188

Authors: Almalki M., Alajmi M., Qadrouh Y., Alzahrani E., Sulaiman A., Aleid M., Albaiji A., Alfaifi H., Alhadadi A., Almotairy H., Alrasheed R., Alhafedh Y.

Abstract:

High-resolution marine seismic survey is a well-established technique that commonly used to characterize near-surface sediments and geological structures at shallow water. We conduct single channel seismic survey to provide high quality seismic images for near-surface sediments upto 100m depth at Jubal costal area, Arabian Gulf. Eight hydrophones streamer has been used to collect stacked seismic traces alone 5km seismic line. To reach the required depth, we have used spark system that discharges energies above 5000 J with expected frequency output span the range from 200 to 2000 Hz. A suitable processing flow implemented to enhance the signal-to-noise ratio of the seismic profile. We have found that shallow sedimentary layers at the study site have complex pattern of reflectivity, which decay significantly due to amount of source energy used as well as the multiples associated to seafloor. In fact, the results reveal that single channel marine seismic at shallow water is a cost-effective technique that can be easily repeated to observe any possibly changes in the wave physical properties at the near surface layers

Keywords: shallow marine single-channel data, high resolution, frequency filtering, shallow water

Procedia PDF Downloads 72

Authors: Nataša Todorović, Jovana Nikolov

Abstract:

Despite the great interest in β⁻β⁻ decay, β⁺β⁺ decays are rarely investigated due to the low probability of detecting these processes with available low-level equipment. If β⁺β⁺, β⁺EC, or ECEC decay occurs in a thin sample of a material, the positrons will be stopped and annihilated inside the material, leading to the emission of two or four coincidence gamma photons energy of 511 keV. The paper presents the results of measurements of double beta decay of ⁶⁴Zn, ⁵⁰Cr, and ⁵⁴Fe isotopes. In the first experiment, 511-keV gamma rays originating from the annihilation of positrons in natural zinc were measured by a coincidence technique to obtain a non-zero value for the (0ν+2ν) half-life. In the second experiment, the result of measuring double beta decay of ⁵⁰Cr is presented, which suggests a result other than zero at 95% CL and gives the lowest limit for the half-life of this process. In the third experiment, neutrino-less ECEC decay of ⁵⁴Fe was examined. Under the decay theory, gamma rays are emitted whose energy does not coincide with the energies of gamma rays emitted by nuclei from known discrete excited states. Iron shield of an internal volume of 1 m³ and thickness of 25 cm served as a source for measuring the (0ν+2ν) process in ⁵⁴Fe, whose yield in natural iron is 5.4%. We obtain the lower limit for the half-life for ⁵⁴Fe: T(0ν, K, K)>4.4x10²⁰ yr, T(0ν, K, L)>4.1x10²⁰ yr, and T(0ν, L, L)>5.0x10²⁰ yr. For ⁵⁰Cr limit for the half-life is T(0ν+2ν)>1.3(6)x10¹⁸ yr, and for ⁶⁴Zn T(0ν+2ν, ECβ+)=1.1(0.9)x10⁹ years.

Keywords: neutrinoless double beta decay, half-life, ⁶⁴Zn, ⁵⁰Cr, and, ⁵⁴Fe

Procedia PDF Downloads 107

Authors: Sakina Fatima, Joseph-Patrick W. E. Clarke, Patricia A. Thibault, Subha Kalyaanamoorthy, Michael Levin, Aravindhan Ganesan

Abstract:

Heteronuclear ribonucleoprotein (hnRNPA1 or A1) is associated with the pathology of different diseases, including neurological disorders and cancers. In particular, the aggregation and dysfunction of A1 have been identified as a critical driver for neurodegeneration (NDG) in Multiple Sclerosis (MS). Structurally, A1 includes a low-complexity domain (LCD) and two RNA-recognition motifs (RRMs), and their interdomain coordination may play a crucial role in A1 aggregation. Previous studies propose that RNA-inhibitors or nucleoside analogs that bind to RRMs can potentially prevent A1 self-association. Therefore, molecular-level understanding of the structures, dynamics, and nucleotide interactions with A1 RRMs can be useful for developing therapeutics for NDG in MS. In this work, a combination of computational modelling and biochemical experiments were employed to analyze a set of RNA-A1 RRM complexes. Initially, the atomistic models of RNA-RRM complexes were constructed by modifying known crystal structures (e.g., PDBs: 4YOE and 5MPG), and through molecular docking calculations. The complexes were optimized using molecular dynamics simulations (200-400 ns), and their binding free energies were computed. The binding affinities of the selected complexes were validated using a thermal shift assay. Further, the most important molecular interactions that contributed to the overall stability of the RNA-A1 RRM complexes were deduced. The results highlight that adenine and guanine are the most suitable nucleotides for high-affinity binding with A1. These insights will be useful in the rational design of nucleotide-analogs for targeting A1 RRMs.

Keywords: hnRNPA1, molecular docking, molecular dynamics, RNA-binding proteins

Procedia PDF Downloads 119

Authors: N. Hatraf, l. Merabeti, M. Abbas

Abstract:

The interest in air conditioning using renewable energies is increasing. The Thermal energy produced from the solar energy can be transformed to useful cooling and heating through the thermo chemical or thermo physical processes by using thermally activated energy conversion system. Solid desiccant conditioning systems can represent a reliable alternative solution compared with other thermal cooling technologies. Their basic characteristics refer to the capability to regulate both temperature and humidity of the conditioned space in one side and to its potential in electrical energy saving in the other side. The ambient air contains so much water that very high dehumidification rates are required. For a continuous dehumidification of the process air the water adsorbed on the desiccant material has to be removed, which is done by allowing hot air to flow through the desiccant material (regeneration). Basically, solid desiccant cooling system transfers moisture from the inlet air to the silica gel by using two processes: absorption process and the regeneration process; The silica gel in the desiccant wheel which is the most important device in the system absorbs the moisture from the incoming air to the desiccant material in this case the silica gel, then it changes the heat with an rotary heat exchanger, after that the air passes through an humidifier to have the humidity required before entering to the local. The main aim of this paper is to study how the dehumidification rate, the generation temperature and many other factors influence the efficiency of a solid desiccant system by using TRNSYS software.

Keywords: desiccation, dehumidification, TRNSYS, efficiency

Procedia PDF Downloads 419

Authors: M. Talebzadegan, S. Bina , I. Riazi

Abstract:

The purpose of this paper is to present an active solar energy system to supply heating demands of the teaching staff dormitory of Islamic Azad University of Ramhormoz. The design takes into account the solar radiations and climate data of Ramhormoz town and is based on the daily warm water consumption for health demands of 450 residents of the dormitory, which is equal to 27000 lit of 50 C° water, and building heating requirements with an area of 3500 m² well-protected by heatproof materials. First, heating demands of the building were calculated, then a hybrid system made up of solar and fossil energies was developed and finally, the design was economically evaluated. Since there is only roof space for using 110 flat solar water heaters, the calculations were made to hybridize solar water heating system with heat pumping system in which solar energy contributes 67% of the heat generated. According to calculations, the Net Present Value “N.P.V.” of revenue stream exceeds “N.P.V.” of cash paid off in this project over three years, which makes economically quite promising. The return of investment and payback period of the project is 4 years. Also, the Internal Rate of Return (IRR) of the project was 25%, which exceeds bank rate of interest in Iran and emphasizes the desirability of the project.

Keywords: solar energy, heat demand, renewable, pollution

Procedia PDF Downloads 420

Authors: Hanieh Sadat Jannesari, Hoori Jannesar, Alireza Hajian HosseinAbadi

Abstract:

In general, buildings are responsible for a considerable share of consumed energy and carbon emissions worldwide and play a significant role in formulating sustainable development strategies. Therefore, a lot of effort is put into the design and construction of zero-energy buildings (ZEBs) to help eliminate the problems associated with the reduction of energy resources and environmental degradation. Two strategies are significant in designing ZEBs: minimizing the need for energy utilization in buildings (particularly for cooling and heating) through highly energy-efficient designs and using renewable energies and other technologies to meet the remaining energy needs. This paper reviews the works related to these two strategies concerning sustainable energy-saving solutions using renewable energy technologies and the Internet of Things in ZEBs. Drawing on the theories and recently implemented projects of energy engineers in ZEBs, we have reported the required technologies within the framework of this paper’s objectives. Overall, solutions based on renewable and sustainable technologies such as photovoltaic (PV) modules, thermal collectors, Phase Change Material (PCM) techniques, etc., are used in active and passive systems designed for various applications in such buildings as cooling, heating, lighting, cooking, etc. The results obtained from examining these projects show that it is possible to minimize the amount of energy required to be produced for and consumed by these buildings.

Keywords: active and passive renewable energy systems, internet of things, storage, zero energy buildings

Procedia PDF Downloads 29

Authors: Ravish K. Jain, Jatinder Kaur, Shaira Arora, Arun Kumar, Amit K. Chawla, Atul Khanna

Abstract:

Surface-dependent properties such as hydrophobicity can be modified significantly by oblique angle deposition technique. Bi thin films were studied for their hydrophobic nature. The effects of oblique angle deposition on structural, surface morphology, electrical and wettability properties of Bi thin films have been studied and a comparison of these physical properties of normally deposited and obliquely deposited Bi films has been carried out in this study. X-ray diffraction studies found that films have highly oriented hexagonal crystal structure and crystallite size is smaller for obliquely deposited (70 nm) film as compared to that of the normally deposited film (111 nm). Raman spectra of the films consist of peaks corresponding to E_g and A_1g first-order Raman modes of bismuth. The atomic force and scanning electron microscopy studies show that the surface roughness of obliquely deposited film is higher as compared to that of normally deposited film. Contact angle measurements revealed that both films are strongly hydrophobic in nature with the contact angles of 105ᵒ and 119ᵒ for normally and obliquely deposited films respectively. Oblique angle deposition enhances the hydrophobicity of the film. The electrical conductivity of the film is significantly reduced by oblique angle deposition. The activation energies for electrical conduction were determined by four-probe measurements and are 0.016 eV and 0.018 eV for normally and obliquely deposited films respectively.

Keywords: bi thin films, hydrophobicity, oblique angle deposition, surface morphology

Procedia PDF Downloads 259

Authors: Amir Reza Talaghat

Abstract:

Since 2015, a new approach and policy regarding energy resources protection and using renewable energies has been started in Iran which was developing new projects. Investigating about the feasibility study of these new projects helped to figure out five steps to prepare an executive feasibility study of the concerned projects, which are proper site selections, authorizations, design and simulation, economic study and programming, respectively. The results were interesting and essential for decision makers and investors to start implementing of these projects in reliable condition. The research is obtained through collection and study of the project's documents as well as recalculation to review conformity of the results with GIS data and the technical information of the bidders. In this paper, it is attempted to describe the result of the performed research by describing the five steps as an executive methodology, for preparing a feasible study of installing a 10 MW – solar farm project. The corresponding results of the research also help decision makers to start similar projects is explained in this paper as follows: selecting the best location for the concerned PV plant, reliable and safe conditions for investment and the required authorizations to start implementing the solar farm project in the concerned region, selecting suitable component to achieve the best possible performance for the plant, economic profit of the investment, proper programming to implement the project on time.

Keywords: solar farm, solar energy, execution of PV power plant PV power plant

Procedia PDF Downloads 179

Authors: Temesgen Geremew

Abstract:

ZnS/glass and CdS/glass single layers and ZnS/CdS and CdS/ZnS heterojunction thin films were deposited by the chemical bath deposition method using zinc acetate and cadmium acetate as the metal ion sources and thioacetamide as a nonmetallic ion source in acidic medium. Na2EDTA was used as a complexing agent to control the free cation concentration. +e single layer and heterojunction thin films were characterized with X-ray diffraction (XRD), a scanning electron microscope (SEM), energy dispersive X-ray (EDX), and a UV-VIS spectrometer. +e XRD patterns of the CdS/glass thin film deposited on the soda lime glass substrate crystalized in the cubic structure with a single peak along the (111) plane. +e ZnS/CdS heterojunction and ZnS/glass single layer thin films were crystalized in the hexagonal ZnS structure. +e CdS/ZnS heterojunction thin film is nearly amorphous.The optical analysis results confirmed single band gap values of 2.75 eV and 2.5 eV for ZnS/CdS and CdS/ZnS heterojunction thin films, respectively. +e CdS/glass and CdS/ZnS thin films have more imaginary dielectric components than the real part. The optical conductivity of the single layer and heterojunction films is in the order of 1015 1/s. +e optical study also confirmed refractive index values between 2 and 2.7 for ZnS/glass, ZnS/CdS, and CdS/ZnS thin films for incident photon energies between 1.2 eV and 3.8 eV. +e surface morphology studies revealed compacted spherical grains covering the substrate surfaces with few cracks on ZnS/glass, ZnS/CdS, and CdS/glass and voids on CdS/ZnS thin films. +e EDX result confirmed nearly 1 :1 metallic to nonmetallic ion ratio in the single-layered thin films and the dominance of Zn ion over Cd ion in both ZnS/CdS and CdS/ZnS heterojunction thin films.

Keywords: SERS, sensor, Hg2+, water detection, polythiophene

Procedia PDF Downloads 65

Authors: Mehdi Bakhtiarzadeh, Reza Efatnejad, Kambiz Rezapour Rezapour

Abstract:

Due to the limited resources of fossil fuels and their harmful effects on the environment and human health, research on renewable energy applications in industrial and scientific communities has become particularly important. Only one percent of freshwater resources are available for use in the domestic, agricultural, and industrial sectors. On the other hand, the rapid growth of industry and the increase of population in most countries of the world, including Iran, have led to an increase in demand for freshwater. Among renewable energies, there is the potential of solar energy in Iran. As a result, solar distillation systems can be used as a solution to supply fresh water in remote rural areas. Therefore, in the present study, a solar water desalination device was designed and manufactured using two heat exchangers and a photovoltaic system. Its evaluation was done during September and October of 2020. During the evaluation of the device, environmental variables such as total solar radiation, ambient temperature and cooling tower temperature were recorded at intervals of one hour from 9 am to 5 pm. The effect of these variables on solar concentrator performance, heat exchanger, and daily freshwater production was evaluated. The results showed that using two heat exchangers and a photovoltaic system has led to the daily production of 5 liters of fresh water and 46% economic efficiency.

Keywords: solar water desalination, heat exchanger, photovoltaic system, technical and economic evaluation

Procedia PDF Downloads 169

Authors: S. Patel, T. Mitra, R. Dubey, J. Keller

Abstract:

In the present investigations, an attempt has been made to study the charge storage mechanism and mechanism for the flow of transient charging and discharging current in an amorphous polymer (Polysulfone) (PSF) and a semi-crystalline polar Polyvinylidene fluoride (PVDF) blends in ratio PSF: PVDF: 80:20;85:15;90:10 and 95:05 at various poling temperatures (i.e. 60, 75, 90 and 1150C) and with field strength (100, 150, 200 and 250kVcm⁻¹). Thermally stimulated depolarizing current TSDC thermograms for (Polysulfone (PSF) and Polyvinylidene fluoride (PVDF) Blends sample have been obtained under different polarizing conditions. Peaks are found at high-temperature side. The variation of structure on blending and poling condition affects the magnitude of TSDC. The activation energy values have been calculated using the initial rise method of Garlick and Gibson. The transient current with the similar polarizing condition has been investigated over a period of 3X10³ sec. The observed characteristics obey Curie-Von Schweidler law in the studied temperature range. The charging current versus polarizing temperature curves at a constant time, i.e., isochronal current characteristics were studied and the activation energies were calculated. The activation energy in transient thermograms calculated by different methods is in good agreement with the values obtained from TSDC studies.

Keywords: activation energy, polysulfone (PSF), polyvinylidenefluoride (PVDF), thermally stimulated depolarizing current (TSDC)

Procedia PDF Downloads 170

Authors: Loreta Kaklauskiene, Arturas Kaklauskas

Abstract:

This employee productivity and work well-being effective system aims to maximise the work performance of personnel and boost well-being in offices. Affective computing, decision support, and knowledge-based systems were used in our research. The basis of this effective system is our European Patent application (No: EP 4 020 134 A1) and two Lithuanian patents (LT 6841, LT 6866). Our study examines ways to support efficient employee productivity and well-being by employing mass-customised, personalised office environment. Efficient employee performance and well-being are managed by changing mass-customised office environment factors such as air pollution levels, humidity, temperature, data, information, knowledge, activities, lighting colours and intensity, scents, media, games, videos, music, and vibrations. These aspects of management generate a customised, adaptive environment for users taking into account their emotional, affective, and physiological (MAP) states measured and fed into the system. This research aims to develop an innovative method and system which would analyse, customise and manage a personalised office environment according to a specific user’s MAP states in a cohesive manner. Various values of work spaces (e.g., employee utilitarian, hedonic, perceived values) are also established throughout this process, based on the measurements that describe MAP states and other aspects related to the office environment. The main contribution of our research is the development of a real-time mass-customised office environment to boost employee performance and well-being. Acknowledgment: This work was supported by Project No. 2020-1-LT01-KA203-078100 “Minimizing the influence of coronavirus in a built environment” (MICROBE) from the European Union’s Erasmus + program.

Keywords: effective decision support and a knowledge-based system, human resource management, employee productivity and work well-being, affective computing

Procedia PDF Downloads 109

Authors: Sofia Serra-Dawa

Abstract:

Adult relationships accrue on a variety of past social experiences, intentions, and emotions that might predispose and influence the approach to and construction of subsequent relationships. The Adult Attachment Theory (AAT) proposes four types of adult attachment, where attachment is built over two dimensions of anxiety and avoidance: secure, anxious-preoccupied, dismissive-avoidant, and fearful-avoidant. The AAT has been studied in multiple settings such as personal and therapeutic relationships, educational settings, sexual orientation, health, and religion. In music scholarship, the AAT has been used to frame class learning of student singers and study the relational behavior between voice teachers and students. Building on this study, the present inquiry studies how attachment types might characterize learning relationships of music students (in the Western Conservatory tradition), and whether particular instrumental experiences might correlate to given attachment styles. Given certain behavioral cohesive features of established traditions of instrumental playing and performance modes, it is hypothesized that student musicians will display specific characteristics correlated to instrumental traditions, demonstrating clear tendency of attachment style, which in turn has implications on subsequent professional interactions. This study is informed by the methodological framework of Adult Attachment Scale-R (Collins and Read, 1990), which was particularly chosen given its non-invasive questions and classificatory validation. It is further hypothesized that the analytical comparison of musicians’ profiles has the potential to serve as the baseline for other comparative behavioral observation studies [this component is expected to be verified and completed well before the conference meeting]. This research may have implications for practitioners concerned with matching and improving musical teaching and learning relationships and in (professional and amateur) long-term musical settings.

Keywords: adult attachment, music education, musicians attachment profile, musicians relationships

Procedia PDF Downloads 157

Authors: Moustafa M. S. Sanad

Abstract:

The worsening of energy supply crisis and the exacerbation of climate change by environmental pollution problems have become the greatest threat to human life. One of the ways to confront these problems is to rely on renewable energy and its storage systems. Nowadays, huge attention has been directed to the development of lithium-ion batteries (LIBs) as efficient tools for storing the clean energy produced by green sources like solar and wind energies. Accordingly, the demand for powerful electrode materials with excellent electrochemical characteristics has been progressively increased to meet fast and continuous growth in the market of energy storage systems. Therefore, the electronic and electrical properties of conversion anode materials for rechargeable lithium-ion batteries (LIBs) can be enhanced by introducing lattice defects and oxygen vacancies in the crystal structure. In this regard, the intended presentation will demonstrate new insights and effective ways for enhancing the electrical conductivity and improving the electrochemical performance of different anode materials such as MgFe₂O₄, CdFe₂O₄, Fe₃O₄, LiNbO₃ and Nb₂O₅. The changes in the physicochemical and morphological properties have been deeply investigated via structural and spectroscopic analyses (e.g., XRD, FESEM, HRTEM, and XPS). Moreover, the enhancement in the electrochemical properties of these anode materials will be discussed through Galvanostatic Cycling (GC), Cyclic Voltammetry (CV) and Electrochemical Impedance Spectroscopy (EIS) techniques.

Keywords: structure modification, cationic substitution, non-stoichiometric synthesis, plasma treatment, lithium-ion batteries

Procedia PDF Downloads 59

Authors: John Rosswell Cummings III

Abstract:

This research examines the discourse ancient Maya ritual practice manifest and maintained through language in a contemporary society as led by a daykeeper— a Maya spiritual leader— with the objective of discovering if the Maya Calendar has an influence on worldview. Through an ethnography of communication and discursive analysis framework, this research examines the discourse of and around the Maya calendar through original research. Data collected includes the ceremonial performance of the Tzolkin ritual, a ritual that takes place every 13 days to ceremonially welcome one of the 20 Universal Forces. During the ceremony, participants supplicate, sacrifice, and venerate. This ritual, based off the Tzolkin cycle in the Mayan Calendar, contains strong, culture-binding ideologies. This research performs a close analysis of the 20 energies of the Tzolkin and their glyphs so as to gain a better understanding of current ideologies in Maya communities. Through a linguistic relativity frame of reference, including both the strong and weak versions, the 20 Universal Forces are shown to influence ways of life. This research argues that it is not just the native language, but the discourses native to the community as held through the calendar, influence thought and have the potential to offer an alternate worldview, thus shaping the cultural narrative which in return influences identity of the community. Research of this kind, on calendric systems and linguistic relativity, has the power to make great discoveries about the societies of the world and their worldviews.

Keywords: anthropological linguistics, discourse analysis, cultural studies, sociolinguistics

Procedia PDF Downloads 147

Authors: Farah Syazwani Hilmy Zaki

Abstract:

Background: Compared to adult cardiopulmonary resuscitation (CPR), high-quality research and evidence on pediatric CPR remain relatively scarce. This knowledge gap hinders the development of optimal guidelines and best practices for resuscitating children. Objectives: To explore pediatric intensive care unit (PICU) CPR current practices in PICU of Institut Jantung Negara (IJN) Malaysia. Method: The research employed a qualitative approach, utilising case study research design. The data collection process involved in-depth interviews and reviewing the Resuscitation Feedback Form. Purposive sampling was used to select two cases consisting of 14 participants. The study participants comprised a cardiologist, one anaesthetist, and twelve nurses. The data collected were transcribed and entered into NVivo software to facilitate theme development. Subsequently, thematic analysis was conducted to analyse the data. Findings: The study yielded key findings regarding the enhancement of PICU CPR practices. These findings are categorised into four themes, namely routine procedures, resuscitation techniques, team dynamics, and individual contributions. Establishment of cohesive team is crucial in facilitating the effectiveness of resuscitation. According to participants, lack of confidence, skills and knowledge presents significant obstacles to effective PICU CPR. Conclusion: The findings of this study indicate that the participants express satisfaction with the current practices of PICU CPR. However, the research also highlights the need for enhancements in various areas, including routine procedures, resuscitation techniques, as well as team and individual factors. Furthermore, it was suggested that additional training be conducted on the resuscitation process to enhance the preparedness of the medical team.

Keywords: cardiopulmonary resuscitation, feedback, nurses, pediatric intensive care unit

Procedia PDF Downloads 90

Authors: Junie B. Billones, Maria Constancia O. Carrillo, Voltaire G. Organo, Stephani Joy Y. Macalino, Inno A. Emnacen, Jamie Bernadette A. Sy

Abstract:

One of the major interferences in the Philippines’ tuberculosis control program is the widespread prevalence of Mtb strains that are resistant to known drugs, such as the MDR-TB (Multi Drug Resistant Tuberculosis) and XDR-TB (Extensively Drug Resistant Tuberculosis). Therefore, there is a pressing need to search for novel Mtb drug targets in order to be able to combat these drug resistant strains. The enzyme 7,8-diaminopelargonic acid aminotransferase enzyme, or more commonly known as BioA, is one such ideal target, as it is known that humans do not possess this enzyme. BioA primarily plays a key role in Mtb’s lipid biosynthesis pathway; more specifically in the synthesis of the enzyme cofactor biotin. In this study, structure-based pharmacophore screening, docking, and ADMET evaluation of compounds obtained from the DrugBank chemical database were performed against the MtbBioA enzyme. Results of the screening, docking, ADMET, and TOPKAT calculations revealed that out of the 6,516 compounds in the library, only 7 compounds indicated more favorable binding energies as compared to the enzyme’s known inhibitor, amiclenomycin (ACM), as well as good solubility and toxicity properties. Moreover, out of these 7 compounds, Molecule 6 exhibited the best solubility and toxicity properties. In the future, these lead compounds may then be subjected to bioactivity assays in vitro or in vivo for further evaluation of its therapeutic efficacy.

Keywords: 7, 8-diaminopelargonic acid aminotransferase, BioA, pharmacophore, molecular docking, ADMET, TOPKAT

Procedia PDF Downloads 458

Authors: Berhane Gebreslassie

Abstract:

Conventional commericial buildings are among the highest unwisely consumes enormous amount of energy and as consequence produce significant amount Carbon Dioxide (CO2). Traditional/conventional buildings have been built for years without consideration being given to their impact on the global warming issues as well as their CO2 contributions. Since 1973, simulation of Green Building (GB) for Energy Efficiency started and many countries in particular the US showed a positive response to minimize the usage of energy in respect to reducing the CO2 emission. As a consequence many software companies developed their own unique building energy efficiency simulation software, interfacing interoperability with Building Information Modeling (BIM). The last decade has witnessed very rapid growing number of researches on GB energy efficiency system. However, the study also indicates that the results of current GB simulation are not yet satisfactory to meet the objectives of GB. In addition most of these previous studies are unlikely excluded the studies of ultimate building energy efficiencies simulation. The aim of this project is to meet the objectives of GB by design, modeling and simulation of building ultimate energy efficiencies system. This research project presents multi-level, L-shape office building in which every particular part of the building materials has been tested for energy efficiency. An overall of 78.62% energy is saved, approaching to NetZero energy saving. Furthermore, the building is implements with distributed energy resources like renewable energies and integrating with Smart Building Automation System (SBAS) for controlling and monitoring energy usage.

Keywords: ultimate energy saving, optimum energy saving, green building, sustainable materials and renewable energy

Procedia PDF Downloads 275

Authors: Mohit Chauhan, Atul Narayan

Abstract:

Moisture damage is the continuous deterioration of asphalt concrete mixtures by the loss of adhesive bond between the asphalt binder and aggregates, or loss of cohesive bonds within the asphalt binder in the presence of moisture. Moisture has been known to either cause or exacerbates distresses in asphalt concrete pavements. Since moisture would often retain for a relatively long duration at the bottom of asphalt concrete layer, the movement of traffic loading in this saturated condition would cause excess stresses or strains within the mixture. This would accelerate the degradation of the adhesion and cohesion within the mixture and likely to contribute the development of fatigue cracking in asphalt concrete pavements. In view of this, it is important to investigate the effect of moisture on the fatigue behavior of asphalt concrete mixtures. In this study, changes in fatigue characteristics after moisture conditioning were evaluated by conducting four-point beam fatigue tests on dry and moisture conditioned specimens. For this purpose, mixtures with two different types of binders were prepared and saturated with moisture using 700 mm Hg vacuum. Beam specimens, in this way, were taken to a saturation level of 65-75 percent. After preconditioning specimens in this degree of saturation and 60°C for a period of 24 hours, they were subjected to four point beam fatigue tests in strain-controlled mode with a strain amplitude of 400 microstrain. The results were then compared with the fatigue test results obtained with beam specimens that were not subjected to moisture conditioning. Test results show that the conditioning reduces both fatigue life and initial flexural stiffness of specimen significantly. The moisture conditioning was also found to increase the rate of reduction of flexural stiffness. Moreover, it was observed that the fatigue life ratio (FLR), the ratio of the fatigue life of the moisture conditioned sample to that of the dry sample, is significantly lower than the flexural stiffness ratio (FSR). The study indicates that four-point bending test is an appropriate tool with FLR and FSR as the potential parameters for moisture-sensitivity evaluation.

Keywords: asphalt concrete, fatigue cracking, moisture damage, preconditioning

Procedia PDF Downloads 139

Authors: Saleh O. Allehabi, V. A. Dzubaa, V. V. Flambaum, Jiguang Li, A. V. Afanasjev, S. E. Agbemava

Abstract:

Recently developed versions of the configuration method for open shells, configuration interaction with perturbation theory (CIPT), and configuration interaction with many-body perturbation theory (CI+MBPT) techniques are used to study the electronic structure of Er, Fm, and No atoms. Excitation energies of odd states connected to the even ground state by electric dipole transitions, the corresponding transition rates, isotope shift, hyperfine structure, ionization potentials, and static scalar polarizabilities are calculated. The way of extracting parameters of nuclear charge distribution beyond nuclear root mean square (RMS) radius, e.g., a parameter of quadrupole deformation β, is demonstrated. In nuclei with spin > 1/2, parameter β is extracted from the quadrupole hyperfine structure. With zero nuclear spin or spin 1/2, it is impossible since quadrupole zero, so a different method was developed. The measurements of at least two atomic transitions are needed to disentangle the contributions of the changes in deformation and nuclear RMS radius into field isotopic shift. This is important for testing nuclear theory and for searching for the hypothetical island of stability. Fm and No are heavy elements approaching the superheavy region, for which the experimental data are very poor, only seven lines for the Fm element and one line for the No element. Since Er and Fm have similar electronic structures, calculations for Er serve as a guide to the accuracy of the calculations. Twenty-eight new levels of Fm atom are reported.

Keywords: atomic spectra, electronic transitions, isotope effect, electron correlation calculations for atoms

Procedia PDF Downloads 155

Authors: Maria Pintea, Nigel Mason

Abstract:

Induced chemistry is one of the newest pathways in the nanotechnology field with applications in the focused electron beam induced processes for deposition of nm scale structures. Si(OPr)₄ and Ti(OEt)₄ are two of the precursors that have not been so extensively researched, though highly sought for semiconductor and medical applications fields, the two compounds make good candidates for FEBIP and are the subject of velocity slice map imaging analysis for deposition purposes, offering information on kinetic energies, fragmentation channels, and angular distributions. The velocity slice map imaging technique is a method used for the characterization of molecular dynamics of the molecule and the fragmentation channels as a result of induced chemistry. To support the gas-phase analysis, Meso-Bio-Nano simulations of irradiation dynamics studies are employed with final results on Fe(CO)₅ deposited on various substrates. The software is capable of running large scale simulations for complex biomolecular, nano- and mesoscopic systems with applications to thermos-mechanical DNA damage, complex materials, gases, nanoparticles for cancer research and deposition applications for nanotechnology, using a large library of classical potentials, many-body force fields, molecular force fields involved in the classical molecular dynamics.

Keywords: focused electron beam induced deposition, FEBID, induced chemistry, molecular dynamics, velocity map slice imaging

Procedia PDF Downloads 109

Authors: Lydia Murugi Mugendi

Abstract:

The promotion of tree growing as a lucrative enterprise is the focus of this paper as management practices have shifted focus from protection of natural forest resources to community/government partnerships with the aim of resource conservation, management and increase of on-farm tree growing. Using KEFRI as (the source) of information pertaining Melia volkensii (the medium or message) being transferred, this paper investigates the current perception towards forestry and the behavioural attitudes of recipients of forest intervention activities. The two objectives explored in this paper are to find out the level of adoption of Mukau in Kitui, Kibwezi and Samburu/Taru and secondly, to find out the characteristics of the adoption process between Kitui, Kibwezi and Samburu/Taru. The methodologies used during data collection were participatory rural appraisal tools in conjunction with the social survey questionnaires. Simple random sampling and snowball sampling were used to identify respondents within the three target sites and analysis was done using SPSS. Results of the study of indicating that adoption rates of the Mukau in Samburu/Taru, where forestry-related activities were introduced within the past one decade had significantly increase despite initial resistance. The other areas, which had benefited from numerous decades of intense forestry extension projects and activities, indicated a decline in re-adoption rates of Mukau as an enterprise. This study has brought out the reality of adoption trends and state of Mukau population within the three counties while providing a glimpse towards the communities’ perception in regards to adoption of forestry and other environmental innovations. The outcome of the study is to provide a guideline for extension/ dissemination officers in KEFRI and related stakeholders to promote seamless cohesive interaction between the recipient communities of the proposed interventions.

Keywords: adoption, innovation, enterprise, extension, DOI Theory

Procedia PDF Downloads 113

Authors: Amjad Almunyif, Amra Alhassni, Sultan Alhassan, Maryam Al Huwayz, Saud Alotaibi, Abdulaziz Almalki, Mohamed Henini

Abstract:

The effect of rapid thermal annealing (RTA) on the optical properties of InAs quantum dots (QDs) grown at an As overpressure of 2x 10⁻⁶ Torr by molecular beam epitaxy (MBE) on (100) and (311)B GaAs substrates was investigated using photoluminescence (PL) technique. PL results showed that for the as-grown samples, the QDs grown on the high index plane (311)B have lower PL intensity and lower full width at half maximum (FWHM) than those grown on the conventional (100) plane. The latter demonstrates that the (311)B QDs have better size uniformity than (100) QDs. Compared with as-grown samples, a blue-shift was observed for all samples with increasing annealing temperature from 600°C to 700°C. For (100) samples, a narrowing of the FWHM was observed with increasing annealing temperature from 600°C to 700°C. However, in (311)B samples, the FWHM showed a different behaviour; it slightly increased when the samples were annealed at 600°C and then decreased when the annealing temperature increased to 700°C. As expected, the PL peak intensity for all samples increased when the laser excitation power increased. The PL peak energy temperature dependence showed a strong redshift when the temperature was increased from 10 K to 120 K. The PL peak energy exhibited an abnormal S-shape behaviour as a function of temperature for all samples. Most samples exhibited a significant enhancement in their activation energies when annealed at 600°C and 700°C, suggesting that annealing annihilated defects created during sample growth.

Keywords: RTA, QDs, InAs, MBE

Procedia PDF Downloads 174