Search results for: interhalogen bond

Authors: Thi Nguyet Hang Nguyen, Kang Hai Tan

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Precast/prestressed concrete hollow core (PCHC) slabs, especially ones with depth more than 300 mm, are susceptible to web-shear failure. The reasons lie on the fact that the production process of PCHC slabs, i.e., the extrusion method (the most common method to cast PCHC slabs nowadays), does not allow them to contain any shear reinforcement. Moreover, due to the presence of the longitudinal voids, cross sections of PCHC slabs are reduced. Therefore, the shear capacity of the slabs depends solely on the tensile strength of concrete which is relatively low. Given that shear is a major concern in using hollow-core slabs, this paper investigates the possibility of adopting steel fibers in PCHC slabs produced by the extrusion method to enhance the shear capacity of the slabs. Three full-scale PCHC slabs with and without hooked-steel fibers were cast and tested until failure. Three different volumetric fiber contents of 0, 0.51 and 0.89% were investigated. The test results showed that there were substantial increases in shear capacity and ductility with the use of hooked-steel fibers. Ultimate shear strength increased with fiber content. In addition, while the specimen without steel fibers and the one with the steel-fiber volume fraction of 0.51% failed in web-shear mode, the specimen with the higher fiber content (0.89%) collapsed in flexural-shear mode. However, as the hooked-steel fibers with the fiber content of 0.89% were used, difficulties in concrete consolidation were observed while concrete was being cast. This could lead to a lower ultimate shear capacity due to a poorer bond between the concrete and the steel fibers.

Keywords: hollow-core slabs, shear strength, steel fibers, web-shear failure

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Authors: Anna Paola Micheli, Anna Maria Calce, Loris Di Nallo

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Sustainable finance identifies the process that leads, in the adoption of investment decisions, to take into account environmental and social factors, with the aim of orienting investments towards sustainable and long-term activities. Considering that the topic is at the center of the interest of national agendas, long-term investments will no longer be analyzed only by looking at financial data, but environmental, social, and governance (ESG) factors will be increasingly important and will play a fundamental role in determining the risk and return of an investment. Although this perspective does not deny the orientation to profit, ESG mutual funds represent sustainable finance applied to the world of mutual funds. So the goal of this paper is to verify this attitude, in particular in the energy sector. The choice of the sector is not casual: ESG is the acronym for environmental, social, and governance, and energy companies are strictly related to the environmental theme. The methodology adopted leads to a comparison between a sample of ESG funds and a sample of ESG funds with similar characteristics, using the most important indicators of literature: yield, standard deviation, and Sharpe index. The analysis is focused on equity funds. Results that are partial, due to the lack of historicity, show a good performance of ESG funds, testifying how a sustainable approach does not necessarily mean lower profits. It is clear that these first findings do not involve an absolute preference for ESG funds in terms of performance because the persistence of results is requested. Furthermore, these findings are to be verified in other sectors and in bond funds.

Keywords: mutual funds, ESG, performance, energy

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Authors: Mina Sarabi, Dariush Sattarzadeh, Mitra Asadollahi Oula

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In the old days, gardens reflect the identity and culture of each country. Persian garden in urban planning and architecture has a high position and it is a kind of paradise in Iranian opinion. But nowadays, the gardens were replaced with parks and urban open spaces. On the other hand, due to the industrial development of cities and increasing air pollution in urban environments, living in this spaces make problem for people. And improving ecological conditions will be felt more than ever. The purposes of this study are identification and reproduction of Persian garden pattern and adaptation of it with sustainability features in green spaces in contemporary cities and developing meaningful green spaces instead of designing aimless spaces in urban environment. The research method in this article is analytical and descriptive. Studying and collecting information about Iranian garden pattern is referring to library documents, articles and analysis case studies. The result reveals that Persian garden was the main factor the bond between man and nature. But in the last century, this relationship is in trouble. It has a significant impact in reducing the adverse effects of urban air pollution, noise and etc as well. Nowadays, recreated pattern of Iranian gardens in urban green spaces not only keep Iranian identity for future generations but also, using the principles of sustainability can play an important role in sustainable development and quality space of a city.

Keywords: green open spaces, nature, Persian garden, urban sustainability

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Authors: Adedayo Jeremiah Adeyekun, Samuel Oluwagbemiga Ishola,

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This paper is an assessment of factors influencing the cost and time performance of subcontractors and the need for effective performance of subcontractors at the project sites. The factors influencing the performance of subcontractors are grouped, similar to those identified with the project or an organization and on another hand, there are significant factors influencing the performance of the subcontractors. These factors incorporate management level leadership, time required to complete the project, profit, staff capability/expertise, reputation, installment method, organization history, and project procurement method strategy, security, bidding technique, insurance, bond and relationship with the major contractors. The factors influencing the management of subcontractors in building development projects includes performance of significant past projects, standard of workmanship, consistence with guidelines, regular payment to labourers, adherence to program, regularity and viability of communication with main contractor, adherence to subcontract necessities. Other factors comprise adherence to statutory environmental regulations, number of experienced sites administrative staff, inspection and maintenance of good workplace, number of artisans and workers, quality of as-built and shop drawings and ability to carry out the quantity of work and so on. This study also aimed to suggest a way forward to improve the performance of subcontractors which is the reason for exceeding budget at the project sites. To carry out this study, a questionnaire was drafted to derive information on the causes of low performance of subcontractors and the implication to cost.

Keywords: performance, contractor, subcontractors, construction

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Authors: Sally Hosny, Mona G. Ibrahim, N. K. Hassan

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Fiber reinforced polymers (FRP) is one of the most environmentally method for strengthening and retrofitting steel structure buildings. The behaviour of flexural strengthened steel I-beams using FRP was investigated. The finite element (FE) models were developed using ANSYS® as verification cases to simulate the experimental behaviour of using FRP strips to flexure strengthen steel I-beam. Two experimental studies were selected for verification; first examined the effect of different thicknesses and modulus of elasticity while the second studied the effect of applying different carbon fiber reinforced polymers (CFRP) bond lengths. The proposed FE models were in good agreement with the experimental results in terms of failure modes, load bearing capacities and strain distribution on CFRP strips. The verified FE models can be utilized to conduct a parametric study where various widths (40, 50, 60, 70 and 80 mm), thickness (1.2, 2 and 4 mm) and lengths (1500, 1700 and 1800 mm) of CFRP were analyzed. The results presented clearly revealed that the load bearing capacity was significantly increased (+7%) when the width and thickness were increased. However, load bearing capacity was slightly affected using longer CFRP strips. Moreover, applying another glass fiber reinforced polymers (GFRP) of 1500 mm in length, 50 mm in width and thicknesses of 1.2, 2 and 4 mm were investigated. Load bearing capacity of strengthened I-beams using GFRP is less than CFRP by average 8%. Statistical analysis has been conducted using Minitab®.

Keywords: FRP, strengthened steel I-beams, flexural, FEM, ANSYS

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Authors: Forrest Kaatz, Adhemar Bultheel

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We use an informational statistical mechanics approach to study the catalytic thermodynamics of platinum and palladium cuboctahedral nanoclusters. Nanoclusters and their adatoms are viewed as chemical graphs with a nearest neighbor adjacency matrix. We use the Morse potential to determine bond energies between cluster atoms in a coordination type calculation. We use adsorbate energies calculated from density functional theory (DFT) to study the adatom effects on the thermodynamic quantities, which are derived from a Hamiltonian. Oxygen radical and molecular adsorbates are studied on platinum clusters and hydrogen on palladium clusters. We calculate the entropy, free energy, and total energy as the coverage of adsorbates increases from bridge and hollow sites on the surface. Thermodynamic behavior versus adatom coverage is related to the structural distribution of adatoms on the nanocluster surfaces. The thermodynamic functions are characterized using a simple adsorption model, with linear trends as the coverage of adatoms increases. The data exhibits size effects for the measured thermodynamic properties with cluster diameters between 2 and 5 nm. Entropy and enthalpy calculations of Pt-O2 compare well with previous theoretical data for Pt(111)-O2, and our Pd-H results show similar trends as experimental measurements for Pd-H2 nanoclusters. Our methods are general and may be applied to wide variety of nanocluster adsorbate systems.

Keywords: catalytic thermodynamics, palladium nanocluster absorbates, platinum nanocluster absorbates, statistical mechanics

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Authors: W. Wen, G. Jackson, S. Maskill, D. G. McCartney, W. Sun

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CoNiCrAlY alloys have been widely used as bond coats for thermal barrier coating (TBC) systems because of low cost, improved control of composition, and the feasibility to tailor the coatings microstructures. Coatings are in general very thin structures, and therefore it is impossible to characterize the mechanical responses of the materials via conventional mechanical testing methods. Due to this reason, miniature specimen testing methods, such as the small punch test technique, have been developed. This paper presents some of the recent research in evaluating the mechanical properties of the CoNiCrAlY coatings at room and high temperatures, through the use of small punch testing and the developed miniature specimen tensile testing, applicable to a range of temperature, to investigate the elastic-plastic and creep behavior as well as ductile-brittle transition temperature (DBTT) behavior. An inverse procedure was developed to derive the mechanical properties from such tests for the coating materials. A two-layer specimen test method is also described. The key findings include: 1) the temperature-dependent coating properties can be accurately determined by the miniature tensile testing within a wide range of temperature; 2) consistent DBTTs can be identified by both the SPT and miniature tensile tests (~ 650 °C); and 3) the FE SPT modelling has shown good capability of simulating the early local cracking. In general, the temperature-dependent material behaviors of the CoNiCrAlY coating has been effectively characterized using miniature specimen testing and inverse method.

Keywords: NiCoCrAlY coatings, mechanical properties, DBTT, miniature specimen testing

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Authors: Muhammad Zia ul Haq, Ong Kuan Boon, Jeffrey Low Fook Lee, Bendri Bin Dasril, Amna Iqbal, Muhammad Saleem

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This study is bond of two purpose, first is to establish the anthropometric profile of Malaysian cricket batsmen and second, to find the variances among the anthropometric characteristics of ten under-16 years, eight under-19 years and eight senior teams batsmen. The anthropometric variables were measured as 8 skinfolds, 12 circumferences, 06 lengths and 05 breadths, stature, sitting height, arm span, body mass, hand grip strength and leg strength. The batsmen of under-19 and under-16 found similar in skinfolds, sum of skinfolds, circumferences and breadth measurements but significantly lesser than the senior team batsmen. Senior and Under-19 batsmen were almost found similar in segmental lengths, heights and arm span but significantly higher than the under-16 batsmen. Breadth measurements the under-19 found higher than the senior and u-16 batsmen. The hand grips strength of the senior batsmen significantly high than the uder-19 and under-16 players and both groups were similar and no significant difference were found in leg strength of all three groups batsmen. Leg strength were found significant correlation with wrist, hip, thigh, and calf girth and handgrip strength. The hand grip strength were found correlated with all variables except biceps, mid-thigh skinfold, segmental length, humerus breadth. It is concluded from the present study that the girth segments and hand grip strength are the predictors of good performance in cricket batting.

Keywords: cricket batting, batsmen, anthropometry, body segments, hand grip strength

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Authors: Marwa Abdussalam

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Breastfeeding is a unique emotional bond between a mother and their offspring. Though breastfeeding may be natural, it is not something mothers are born with; some still struggle to breastfeed their babies. Various factors can influence the breastfeeding experience, such as the mode of delivery, the mother’s health condition, proper latching, etc. In addition, psychological factors have been known to influence breastfeeding ability, duration, and milk supply. Some mothers struggle to breastfeed their babies because they perceive they have a low milk supply and or don’t have the ability to breastfeed their babies. Most of these perceptions result either from their own past experience or from the ‘comments’ of their caregivers. So, it is of utmost essential to understand such psychological factors affecting breastfeeding so that necessary steps can be taken to educate breastfeeding mothers. The study explored the role of psychological factors that affect breastfeeding. Data were collected from fifteen breastfeeding mothers using a semi-structured interview schedule. A total of 10 questions were included in the interview schedule. Questions were sequenced in a funnel pattern, beginning with open-ended questions and then moving on to close-ended questions. Data were analyzed using Braun and Clarke’s Thematic Analysis technique. This technique involves identifying the codes, generating themes, naming them, and finally reviewing them. Results indicated that breastfeeding self-efficacy perceived insufficient milk supply, and lack of knowledge were the psychological factors affecting breastfeeding. The results of this study can be used to help mothers who are struggling with breastfeeding by developing interventions aimed at improving breastfeeding self-efficacy.

Keywords: breastfeeding, breastfeeding self-efficacy, perceived insufficient milk supply, Thematic Analysis

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Authors: Efi Koutantou

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The foundation of successful therapy is the bond between the psychotherapist and the patient, Psychoanalysis would argue. The present study explores lived experiences of a psychotherapeutic relationship in different moments, initial and final with special reference to the transference love developed through the process. The fight between moments of ‘leaving a self’ behind and following ‘lines of flight’ in the process of creating a new subjectivity and ‘becoming-other’ will be explored. Moments between de-territorialisation – surpassing given constraints such as gender, family and religion, kinship bonds - freeing the space in favor of re-territorialisation – creation of oneself creation of oneself will also be analyzed. The generation of new possibilities of being, new ways of self-actualization for this patient will be discussed. The second part of this study will explore the extent to which this ‘transference love’ results for this specific patient to become ‘the discourse of the other’; it is a desideratum whether the patient finally becomes a subject of his/her own through his/her own self-exploration of new possibilities of existence or becomes alienated within the thought of the therapist. The way in which the patient uses or is (ab)used by the transference love in order to experience and undergo alienation from an ‘authority’ which may or may not sacrifice his/her own thought in favor of satisfying the therapist will be investigated. Finally, from an observer’s perspective and from the analysis of the results of this therapeutic relationship, the counter-transference will also be analyzed, in terms of an attempt of the analyst to relive and satisfy his/her own desires through the life of the analysand. The accession and fall of an idealized self will be analyzed, the turn of the transference love into ‘hate’ will conclude this case study through a lived experience in the therapeutic procedure; a relationship which can be called to be a mixture of a real relationship and remnants from a past object relationship.

Keywords: alienation, authority, counter-transference, hate, transference love

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Authors: Padmalochan Panda, R. Ramaseshan

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Aluminum nitride (AlN) is a potential candidate for semiconductor industry due to its wide band gap (6.2 eV), high thermal conductivity and low thermal coefficient of expansion. A-plane oriented AlN film finds an important role in deep UV-LED with higher isotropic light extraction efficiency. Also, Cr-doped AlN films exhibit dilute magnetic semiconductor property with high Curie temperature (300 K), and thus compatible with modern day microelectronics. In this work, highly a-axis oriented wurtzite AlN and Al1-xMxN (M = Cr, Ti) films have synthesized by reactive co-sputtering technique at different concentration. Crystal structure of these films is studied by Grazing incidence X-ray diffraction (GIXRD) and Transmission electron microscopy (TEM). Identification of binding energy and concentration (x) in these films is carried out by X-ray photoelectron spectroscopy (XPS). Local crystal structure around the Cr and Ti atom of these films are investigated by X-ray absorption spectroscopy (XAS). It is found that Cr and Ti replace the Al atom in AlN lattice and the bond lengths in first and second coordination sphere with N and Al, respectively, decrease concerning doping concentration due to strong p-d hybridization. The nano-indentation hardness of Cr and Ti-doped AlN films seems to increase from 17.5 GPa (AlN) to around 23 and 27.5 GPa, respectively. An-isotropic optical properties of these films are studied by the Spectroscopic Ellipsometry technique. Refractive index and extinction coefficient of these films are enhanced in normal dispersion region as compared to the parent AlN film. The optical band gap energies also seem to vary between deep UV to UV regions with the addition of Cr, thus by bringing out the usefulness of these films in the area of optoelectronic device applications.

Keywords: ellipsometry, GIXRD, hardness, XAS

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Authors: Ömer Tamer, Davut Avcı, Yusuf Atalay

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Novel picolinate complex of manganese(II) ion, [Mn(pic)2] [pic: picolinate or 2-pyridinecarboxylate], was prepared and fully characterized by single crystal X-ray structure determination. The manganese(II) complex was characterized by FT-IR, FT-Raman and UV–Vis spectroscopic techniques. The C=O, C=N and C=C stretching vibrations were found to be strong and simultaneously active in IR and spectra. In order to support these experimental techniques, density functional theory (DFT) calculations were performed at Gaussian 09W. Although the supramolecular interactions have some influences on the molecular geometry in solid state phase, the calculated data show that the predicted geometries can reproduce the structural parameters. The molecular modeling and calculations of IR, Raman and UV-vis spectra were performed by using DFT levels. Nonlinear optical (NLO) properties of synthesized complex were evaluated by the determining of dipole moment (µ), polarizability (α) and hyperpolarizability (β). Obtained results demonstrated that the manganese(II) complex is a good candidate for NLO material. Stability of the molecule arising from hyperconjugative interactions and charge delocalization was analyzed using natural bond orbital (NBO) analysis. The highest occupied and the lowest unoccupied molecular orbitals (HOMO and LUMO) which is also known the frontier molecular orbitals were simulated, and obtained energy gap confirmed that charge transfer occurs within manganese(II) complex. Molecular electrostatic potential (MEP) for synthesized manganese(II) complex displays the electrophilic and nucleophilic regions. From MEP, the the most negative region is located over carboxyl O atoms while positive region is located over H atoms.

Keywords: DFT, picolinate, IR, Raman, nonlinear optic

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Authors: Phusit Phukamchanoad

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This research aims to analyze the fundamental factors of the community leader and citizens behind the self-sufficient living in Vientiane, Lao People's Democratic Republic. The data were collected by asking 400 citizens to fill out the questionnaires and having in-depth interviews with 30 community leaders. It was found that the factors which had influenced the practice of the sufficiency economy philosophy were age, occupation, length of time living in Vientiane, education, monthly income, monthly expense, and the sufficiency economy philosophy training. The people who had been trained could practice the sufficiency economy philosophy better at both individual and household level than the people who had not been trained. The people who were older than 36 years old had practiced the sufficiency economy philosophy more than the people who were younger than 35 years old. The people who worked in state-owned enterprises, private businesses, and government officials: teachers, police officers, soldiers, and ministers applied the sufficiency economy philosophy more than the samples who were students. The people who lived in Vientiane for more than 31 years applied the sufficiency economy philosophy more than the samples who lived in Vientiane for not more than 30 years. The people whose incomes exceeded 20,001 baht applied the sufficiency economy philosophy more than the people whose incomes did not exceed 20,000 baht. Both community leaders and citizens had a good relationship with their families and community. The community members supported each other during tough times. There were regular meetings in the community. There was unity within the families. The time to build a bond in the family was the time when everyone was eating together. Also, most community leaders and citizens had at least two jobs per one person.

Keywords: sufficiency economy philosophy, fundamental factors, way of life, Vientiane Lao PDR

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Authors: Qasar Saleem

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The aim of this project was to synthesize and analyze Polylactic acid-grafted TiO2 nanocomposite. When dispersed at the nanoscale TiO2 can behave as see through transparent UV filters and thermomechanical materials. The synthesis plan involved three stages. First, dispersion of TiO2 white powder in water/ethanol solvent system. Second grafting TiO2 surface by oligomers of lactic acid aimed at changing its surface features. Third polymerization of lactic acid monomer with grafted TiO2 in the presence of anhydrous stannous chloride as a catalyst. Polylactic acid grafted-TiO2 nanocomposite was synthesized by melt polycondensation in situ of lactic acid onto titanium oxide (TiO2) nanoparticles surface. The product was characterized by TGA, DSC, FTIR, and UV analysis and degradation observation. An idea regarding bonds between the grafting polymer and surface modified titanium oxide nanoparticles. Characteristics peaks of Ti–carbonyl bond, the related intensities of the Fourier transmission absorption peaks of graft composite, the melt and decomposition behavior stages of Polylactic acid-grafted TiO2 nanocomposite convinced that oligomers of polylactic acid were chemically bonded on the surface of TiO2 nanoparticles. Through grafting polylactic acid, the Polylactic acid grafted -TiO2 sample shown good absorption in UV region and degradation behavior under normal atmospheric conditions. Regaining transparency of degraded white opaque Polylactic acid-grafted TiO2 nanocomposite on heating was another character. Polylactic acid-grafted TiO2 nanocomposite will be a potential candidate in future for biomedical, UV shielding and environment friendly material.

Keywords: condensation, nanocomposites, oligomers, polylactic

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Authors: Fares Khalfallah, Zakaria Boumerzoug, Selvarajan Rajakumar, Elhadj Raouache

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The ceramic-aluminum bond is strongly present in industrial tools, due to the need to combine the properties of metals, such as ductility, thermal and electrical conductivity, with ceramic properties like high hardness, corrosion and wear resistance. In recent years, some joining techniques have been developed to achieve a good bonding between these materials such as brazing, diffusion bonding, ultrasonic joining and friction welding. In this work, AA1100 aluminum alloy rods were welded with Alumina 99.9 wt% ceramic rods, by friction welding. The effect of friction pressure on mechanical and structural properties of welded joints was studied. The welding was performed by direct friction welding machine. The welding samples were rotated at a constant rotational speed of 900 rpm, friction time of 4 sec, forging strength of 18 MPa, and forging time of 3 sec. Three different friction pressures were applied to 20, 34 and 45 MPa. The three-point bending test and Vickers microhardness measurements were used to evaluate the strength of the joints and investigate the mechanical properties of the welding area. The microstructure of joints was examined by optical microscopy (OM), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). The results show that bending strength increased, and then decreased after reaching a maximum value, with increasing friction pressure. The SEM observation shows that the increase in friction pressure led to the appearance of cracks in the microstructure of the interface area, which is decreasing the bending strength of joints.

Keywords: welding of ceramic to aluminum, friction welding, alumina, AA1100 aluminum alloy

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Authors: Chun-Wei Yeh, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang

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Reducing greenhouse gases or converting them into fuels and chemicals with added value is vital for the environment. Given the enhanced techniques for hydrocarbon extraction in this context, the catalytic conversion of methane to methanol is particularly intriguing for future applications as vehicle fuels and/or bulk chemicals. Metal-organic frameworks (MOFs) have received much attention recently for the oxidation of methane to methanol. In addition, biomimetic material, particulate methane monooxygenase (pMMO), has been reported to convert methane using copper oxide clusters as active sites. Inspired by these, in this study, we considered the well-known MIL-53(Al) MOF as support for copper oxide clusters (Cu2Ox, Cu3Ox) to investigate their reactivity towards methane oxidation using Density Functional Theory (DFT) calculations. The copper oxide clusters (Cu2O2, Cu3O2) are modeled by oxidizing copper clusters (Cu2, Cu3) with two oxidizers, O2 and N2O. The initial C-H bond activation barriers on Cu2O2/MIL-53(Al) and Cu3O2/MIL-53(Al) catalysts are 0.70 eV and 0.64 eV, respectively, and are the rate-determining steps in the overall methane conversion to methanol reactions. The desorption energy of the methanol over the Cu2O/MIL-53(Al) and Cu3O/MIL-53(Al) is 0.71eV and 0.75 eV, respectively. Furthermore, to explore the prospect of catalyst reusability, we considered the different oxidants and proposed the different reaction pathways for completing the reaction cycle and regenerating the active copper oxide clusters. To know the reason for the difference between bi-copper and tri-cooper systems, we also did an electronic analysis. Finally, we calculate the Microkinetic Simulation. The result shows that the reaction can happen at room temperature.

Keywords: DFT study, copper oxide cluster, MOFs, methane conversion

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Authors: Latha Nataraj, Todd Henry, Micheal Wallock, Asha Hall, Christine Hatter, Babak Anasori, Yury Gogotsi

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Multifunctional composites with enhanced strength and toughness for superior damage tolerance are essential for advanced aerospace and military applications. Detection of structural changes prior to visible damage may be achieved by incorporating fillers with tunable properties such as two-dimensional (2D) nanomaterials with high aspect ratios and more surface-active sites. While 2D graphene with large surface areas, good mechanical properties, and high electrical conductivity seems ideal as a filler, the single-atomic thickness can lead to bending and rolling during processing, requiring post-processing to bond to polymer matrices. Lately, an emerging family of 2D transition metal carbides and nitrides, MXenes, has attracted much attention since their discovery in 2011. Metallic electronic conductivity and good mechanical properties, even with increased polymer content, coupled with hydrophilicity make MXenes a good candidate as a filler material in polymer composites and exceptional as multifunctional damage indicators in composites. Here, we systematically study MXene-based (Ti₃C₂) coated on glass fibers for fiber reinforced polymer composite for self-sensing using microscopy and micromechanical testing. Further testing is in progress through the investigation of local variations in optical, acoustic, and thermal properties within the damage sites in response to strain caused by mechanical loading.

Keywords: damage sensing, fiber composites, MXene, self-sensing

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Authors: Hafiz Muhammad Adeel Sharif, Tian Li, Changping Li

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Recently, the emission of nitrogen-sulphur oxides (NOₓ, SO₂) has become a global issue and causing serious threats to health and the environment. Catalytic reduction of NOx and SOₓ gases into friendly gases is considered one of the best approaches. However, regeneration of the catalyst, higher bond-dissociation energy for NOx, i.e., 150.7 kcal/mol, escape of intermediate gas (N₂O, a greenhouse gas) with treated flue-gas, and limited activity of catalyst remains a great challenge. Here, a cheap, binderless naturally-extracted bass-wood thin carbon electrode (TCE) is presented, which shows excellent catalytic activity towards NOx reduction. The bass-wood carbonization at 900 ℃ followed by thermal activation in the presence of CO2 gas at 750 ℃. The thermal activation resulted in an increase in epoxy groups on the surface of the TCE and enhancement in the surface area as well as the degree of graphitization. The TCE unique 3D strongly inter-connected network through hierarchical micro/meso/macro pores that allow large electrode/electrolyte interface. Owing to these characteristics, the TCE exhibited excellent catalytic efficiency towards NOx (~83.3%) under ambient conditions and enhanced catalytic response under pH and sulphite exposure as well as excellent stability up to 168 hours. Moreover, a temperature-dependent activity trend was found where the highest catalytic activity was achieved at 80 ℃, beyond which the electrolyte became evaporative and resulted in a performance decrease. The designed electrocatalyst showed great potential for effective NOx-reduction, which is highly cost-effective, green, and sustainable.

Keywords: electrocatalyst, NOx-reduction, bass-wood electrode, integrated wet-scrubbing, sustainable

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Authors: Mallikarjunachari Gangapuram

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The design of stimuli-responsive hydrogel nanocomposite thin films is gaining significant attention in these days due to its wide variety of applications. Soft microrobots, drug delivery, biosensors, regenerative medicine, bacterial adhesion, energy storage and wound dressing are few advanced applications in different fields. In this research work, the nanomechanical properties of composite thin films of 20 microns were tuned by applying homogeneous external DC, and AC magnetic fields of magnitudes 0.05 T and 0.1 T. Polyvinyl alcohol (PVA) used as a matrix material and elliptical hematite nanoparticles (ratio of the length of the major axis to the length of the minor axis is 140.59 ± 1.072 nm/52.84 ± 1.072 nm) used as filler materials to prepare the nanocomposite thin films. Both quasi-static nanoindentation, Nano Dynamic Mechanical Analysis (Nano-DMA) tests were performed to characterize the viscoelastic properties of PVA, PVA+Hematite (0.1% wt, 2% wt and 4% wt) nanocomposites. Different properties such as storage modulus, loss modulus, hardness, and Er/H were carefully analyzed. The increase in storage modulus, hardness, Er/H and a decrease in loss modulus were observed with increasing concentration and DC magnetic field followed by AC magnetic field. Contact angle and ATR-FTIR experiments were conducted to understand the molecular mechanisms such as hydrogen bond formation, crosslinking density, and particle-particle interactions. This systematic study is helpful in design and modeling of magnetic responsive hydrogel nanocomposite thin films for biomedical applications.

Keywords: hematite, hydrogel, nanoindentation, nano-DMA

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Authors: Salah E. El-Metwally, Marwan Abdo, Basem Abdel Wahed

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Fiber-reinforced polymer (FRP) bars have been proposed as an alternative to conventional steel bars; hence, the use of these non-corrosive and nonmetallic reinforcing bars has increased in various concrete projects. This concrete material is lightweight, has a long lifespan, and needs minor maintenance; however, its non-ductile nature and weak bond with the surrounding concrete create a significant challenge. The behavior of concrete elements reinforced with FRP bars has been the subject of several experimental investigations, even with their high cost. This study aims to numerically assess the viability of using FRP bars, as longitudinal reinforcement, in comparison with traditional steel bars, and also as prestressing tendons instead of the traditional prestressing steel. The nonlinear finite element analysis has been utilized to carry out the current study. Numerical models have been developed to examine the behavior of concrete beams reinforced with FRP bars or tendons against similar models reinforced with either conventional steel or prestressing steel. These numerical models were verified by experimental test results available in the literature. The obtained results revealed that concrete beams reinforced with FRP bars, as passive reinforcement, exhibited less ductility and less stiffness than similar beams reinforced with steel bars. On the other hand, when FRP tendons are employed in prestressing concrete beams, the results show that the performance of these beams is similar to those beams prestressed by conventional active reinforcement but with a difference caused by the two tendon materials’ moduli of elasticity.

Keywords: reinforced concrete, prestressed concrete, nonlinear finite element analysis, fiber-reinforced polymer, ductility

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Authors: S. Nqayi, B. Sondezi

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A rare-earth-based Sm₂MnRuO₆₊δ (SMRO) double perovskite was prepared using a high-temperature solid-state reaction. The structural, morphological, chemical, thermodynamic, and magnetic properties were measured with X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), X-ray photoemission spectroscopy (XPS), and vibrating sample magnetometer (VSM), respectively. The XRD revealed a tetragonal structure belonging to the I4/mmm space group, number 139, with linear Mn−O−Ru bonds. Replacing the well-studied alkaline earth metal with a rare-earth element increased the Mn-O bond length difference between the shorter equatorial (Mn-Oab) and the axial (Mn-Oc) bonds by approximately 6.3%. The elemental composition showed an O-rich double perovskite with a Ru deficit, which encourages the formation of a Ru⁶⁺ (d²) state. XPS spectra of Sm-3d, Ru-3d, and Mn-2p revealed the coexistence of a double oxidation state for each cation; Sm²⁺, Sm³⁺, Ru³⁺, Ru⁶⁺, Mn²⁺ , and Mn³⁺, in varying proportions. Entropy studies showed drastic ordering of spins at low temperatures (up to 12.4 K), whilst increasing temperatures above this point resulted in a drastic increase of disorder of the spins (up to 43.26 K), beyond which a constant slope of entropy is observed. Magnetic measurements revealed two magnetic ground states at TN = 12.4 K and TC = 43.3 K ordering antiferromagnetically (AFM) and ferromagnetically (FM), respectively. Kneller fit further showed that the materials become completely paramagnetic at TB = 88.1 K, (the blocking temperature). The existence of ferromagnetic (FM) super-exchange coupling in this work originating from Mn³⁺ (t³₂𝓰e¹𝓰)−O−Ru³⁺ (t⁵₂𝓰e⁰𝓰) and Mn²⁺ (t³₂𝓰e²𝓰−O−Ru⁶⁺ (t²₂𝓰e⁰𝓰) which plays an important role in suppressing the Mn/Ru−O−Mn/Ru antiferromagnetic (AFM) interactions.

Keywords: solid-state reaction, super-exchange coupling, ferromagnetic, Kneller’s law, entropy

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Authors: Mohamed M. A. Rahoma

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A better understanding of the factors that control the resistivity values of Sandstone reservoirs is very important for petroleum exploration and production. This study is an attempt to find out the factors that could be the reason for the decrease in resistivity values of the Lower Akakus Sandstones, which are the main reservoir in the area in an onshore field located in the northern part of Ghadames Basin - Northwest of Libya in the contracted area 47, block 2 The study achieved is based on: 30 core chip samples taken from two wells (A3-47/02 and J1-47/02) and Routine Core Analysis (RCA). The results of petrography analysis (thin section, X-ray diffraction and SEM) demonstrated that the depth sits (intervals) which illustrated low resistivity values have a relatively high content of diagenetic clay and cement minerals, hence we can conclude that diagenetic events have a more significant impact on the resistivity values of studied interval for possibly two following reasons: The first essential reason, the extensive micro pores that mostly exist within clay minerals (Chlorite and Kaolinite where, about 30-50 % of their composition considered micro pores), resistivity log read low as noticed through the study. The highest value of micro pores recorded in core1 of J1-47/02 well due to most likely the kaolinite amount which was a slightly higher than the chlorite amount in this well (the bond water porosity for chlorite clay considered relatively the lowest porosity compared to other clay minerals). The second reason, the presence of diagenetic cement minerals (Siderite and Hematite, which contain an iron element as one of their components) within the studied interval as remarked from my study may cause decreasing in resistivity of the formation of the reservoir.

Keywords: diagenetic cement, diagenetic clay, resistivity, petrography analysis

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Authors: Fadi Chammas, Saad Alkhaldi, Tariq Alghamdi, Stefano Alexandirs

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The operating conditions and corrosive nature of the process fluid in the Haradh and Hawiyah areas are subjecting facility piping to undesirable corrosion phenomena. Therefore, production headers inside remote headers have been internally cladded with high alloy material to mitigate the corrosion damage mechanism. Corrosion mitigation in the jump-over lines, constructed between the existing flowlines and the newly constructed facilities to provide operational flexibility, is proposed. This corrosion mitigation system includes the application of fusion bond epoxy (FBE) coating on the internal surface of the pipe and depositing corrosion-resistant alloy (CRA) weld layers at pipe and fittings ends to protect the carbon steel material. In addition, high alloy CRA weld material is used to deposit the girth weld between the 90-degree elbows and mating internally coated segments. A rigorous testing and qualification protocol was established prior to actual adoption at the Haradh and Hawiyah Field Gas Compression Program, currently being executed by Saudi Aramco. The proposed mitigation system, aimed at applying the cladding at the ends of the internally FBE coated pipes/elbows, will resolve field joint coating challenges, eliminate the use of approximately (1700) breakout flanges, and prevent the potential hydrocarbon leaks.

Keywords: pipelines, corrosion, cost-saving, project completion

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Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

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Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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Authors: Karina Nabilla, Dedi Sumantri, Nurul T. Rizal, Siti H. Yavitha

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Background: Composite resin is the most frequently used material for restoring teeth, but still failure cases are seen which leading to microleakage. Microleakage might be attributed to various factors, one of them is bonding agent. Various generations of bonding agents have been introduced to overcome the microleakage. The aim of this study was to evaluate the microleakage of composite restorations using the fifth and seventh bonding agent. Methods: Class I cavities (3X2X2 mm) were prepared on the occlusal surfaces of 32 human upper premolars. Teeth were classified into two groups according to the type of bonding agent used (n =16). Group I: Fifth Generation of Bonding Agent-Adper Single Bond2. Group II: Seventh Generation of Bonding Agent-Single Bond Universal. All cavities were restored with Filtek Z250 XT composite resin, stored in sterile aquades water at 370C for 24 h. The root apices were sealed with sticky wax, and all the surfaces, except for 2 mm from the margins, were coated with nail varnish. The teeth were immersed in a 1% methylene blue dye solution for 24 h, and then rinsed in running water, blot-dried and sectioned longitudinally through the center of restorations from the buccal to palatal surface. The sections were blindly assessed for microleakage of dye penetration by using a stereomicroscope. Dye penetration along margin was measured in µm then calculated into the percentage and classified into scoring system 1 to 3. Data were collected and statistically analyzed by Chi-Square test. Result: There was no significant difference (p > 0,05) between two groups. Conclusion: Fifth generation of bonding agent revealed less leakage compared to the seventh generation even statistically there was no significant difference.

Keywords: composite restoration, fifth generation of bonding agent, microleakage, seventh generation of bonding agent

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Authors: Adedayo Jeremiah Adeyekun, Samuel Oluwagbemiga Ishola

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This research aims to study the use of traditional building materials for the repair and refurbishment of historic buildings in India and to provide an authentic treatment of historical buildings that will be highly considered by taking into consideration the new standards of rehabilitating process. This can be proven to be an effective solution over modern impervious material due to its compatibility with traditional building methods and materials. For example, their elastoplastic properties allow accommodating movement due to settlement or moisture/temperature changes without cracking. The use of lime also enhances workability, water retention and bond characteristics. Lime is considered to be a natural, traditional material, but it is also sustainable and energy-efficient, with production powered by biomass and emissions up to 25% less than cementitious materials. However, there is a lack of comprehensive data on the impact of lime‐based materials on the energy efficiency and thermal properties of traditional buildings and structures. Although lime mortars, renders and plasters were largely superseded by cement-based products in the first half of the 20th century, lime has a long and proven track record dating back to ancient times. This was used by the Egyptians in 4000BC to construct the pyramids. This doesn't mean that lime is an outdated technology, nor is it difficult to be used as a material. In fact, lime has a growing place in modern construction, with increasing numbers of designers choosing to use lime-based products because of their special properties. To carry out this research, some historic buildings will be surveyed and information will be derived from the textbooks and journals related to Architectural restoration.

Keywords: lime, materials, historic, buildings, sustainability

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Authors: Mukul R. Gupta, Rajkumar Gandhi, Rajitha Sachan, Naveen K. Khare

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The field of glycoscience has burgeoned in the last several decades, leading to the identification of many glycosides which could serve critical roles in a wide range of biological processes. This has prompted a resurgence in synthetic interest, with a particular focus on new approaches to construct the selective glycosidic bond. Despite the numerous elegant strategies and methods developed for the formation of glycosidic bonds, stereoselective construction of glycosides remains challenging. Here, we have recently developed the novel Hexafluoroisopropanol (HFIP) catalyzed stereoselective glycosylation methods by using KDN imidate glycosyl donor and a variety of alcohols in excellent yield. This method is broadly applicable to a wide range of substrates and with excellent selectivity of glycoside. Also, herein we are reporting the functionalization of the unbiased side of newly formed glycosides by dual-catalytic transition metal systems (Ru- or Fe-). We are using the innovative Reverse & Catalyst strategy, i.e., a reversible activation reaction by one catalyst with a functionalization reaction by another catalyst, together with enabling functionalization of substrates at their inherently unreactive sites. As well, we are targeting the diSia derivative synthesis by Wittig reaction. This synthetic method is applicable in mild conditions, functional group tolerance of the dual-catalytic systems and also highlights the potential of the multicatalytic approach to address challenging transformations to avoid multistep procedures in carbohydrate synthesis.

Keywords: KDN, stereoselective glycosylation, dual-catalytic functionalization, Wittig reaction

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Authors: Changde Zhang, Qiang Zhang, Shilong Zheng, Jiawang Liu, Shanchun Guo, Qiu Zhong, Guangdi Wang

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Fulvestrant was approved by FDA to treat breast cancer as a selective estrogen receptor downregulator (SERD) with intramuscular injection administration. ZB716, a fulvestarnt-3 boronic acid, is an SERD with comparable anticancer effect to fulvestrant, but could produce good pharmacokinetic properties under oral administration with mice or rat models. To understand why ZB716 produced much better oral bioavailability, it was proposed that the boronic acid blocked the phase II direct biotransformation with the hydroxyl group on the 3 position of the aromatic ring on fulvestrant. In this study, ZB716 or fulvestrant was incubated with human liver microsome and oxidation cofactor NADPH in vitro. Their metabolites after oxidation were profiled with the Q-Exactive, a high-resolution mass spectrometer. The result showed that ZB716 blocked the forming of hydroxyl groups on its benzene ring except for the oxidation of C-B bond forming fulvestrant in its metabolites, and the concentration of fulvestrant with one more hydroxyl group found in the metabolites from incubation with fulvestrant was about 34 fold high as that formed from incubation with ZB716. Compared to fulvestrant, ZB716 is expected to be much difficult to be further bio-transformed into more hydrophilic compounds, to be difficult excreted out of blood system, and to have longer residence time in blood, which can lead to higher oral bioavailability. This study provided evidence to explain the high bioavailability of ZB716 after oral administration from the perspective of its difficulty of oxidation, a phase I biotransformation, on positions on its aromatic ring.

Keywords: biotransformation, fulvestrant, metabolite profiling, ZB716

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Authors: Regina R. Gunawan, Indwiani Astuti, H. Raden Danarto

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Cancer is the leading cause of death worldwide. Cancer is caused by mutations that alter the function of normal human genes and give rise to cancer genes. MicroRNA (miRNA) is a small non-coding RNA that regulates the gen through complementary bond towards mRNA target and cause mRNA degradation. miRNA works by either promoting or suppressing cell proliferation. miRNA level expression in cancer may offer another value of miRNA as a biomarker in cancer diagnostic. miRNA-21 is believed to have a role in carcinogenesis by enhancing proliferation, anti-apoptosis, cell cycle progression and invasion of tumor cells. Hsa-miR-21-5p marker has been identified in Prostate Cancer (PCa) and Benign Prostatic Hyperplasia (BPH) patient’s urine. This research planned to explore the diagnostic performance of miR-21 to differentiate PCa and BPH patients. In this study, urine samples were collected from 20 PCa patients and 20 BPH patients. miR-21 relative expression against the reference gene was analyzed and compared between the two. miRNA expression was analyzed using the comparative quantification method to find the fold change. miR-21 validity in identifying PCa patients was performed by quantifying the sensitivity and specificity with the contingency table. miR-21 relative expression against miR-16 in PCa patient and in BPH patient has 12,98 differences in fold change. From a contingency table of Cq expression of miR-21 in identifying PCa patients from BPH patient, Cq miR-21 has 100% sensitivity and 75% specificity. miR-21 relative expression can be used in discriminating PCa from BPH by using a urine sample. Furthermore, the expression of miR-21 has higher sensitivity compared to PSA (Prostate specific antigen), therefore miR-21 has a high potential to be analyzed and developed more.

Keywords: benign prostate hyperplasia, biomarker, miRNA-21, prostate cancer

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Authors: Haydar S. Al Shabbani, M. Marshall, R. Goodall

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Metal matrix composites (MMCs) have been explored for many applications for many decades. Recently, this includes investigations for thermal applications associated with electronics, such as in heat sinks. Here, to promote thermal conductivity, composites of a metal matrix with diamond particles are used. However, this class of composites has not yet been extensively examined for mechanical and tribological behavior, especially for applications that require extreme mechanical and tribological strength, such as the resistance to abrasive cutting. Therefore, this research seeks to develop a composite material with metal matrix and diamond particles which resist abrasive and cutting forces. The development progresses through a series of steps, exploring methods to process the material, understanding the mechanics of abrasive behavior and optimizing the composite structure to resist abrasive cutting. In processing, infiltration casting under gas pressure has been applied to molten aluminum to obtain a significant penetration of the metal into a preform of diamond particles. Different diamond particle sizes were used with different surface modifications (coated/uncoated), and to compare resulting composites with the same particle sizes. Al-1 wt.% Mg as a matrix alloy was utilised to investigate the possible effect of Mg on bonding phases during the infiltration process. The mechanical behavior and microstructure of the materials produced have been characterised. These tests showed that the surface modification of the diamond particles with a reactive material (Ti-coating) has an important role for enhancing the bonding between the aluminium matrix and diamond reinforcement as apparent under SEM observation. The effect of this improved bond is seen in the cutting resistance of the material.

Keywords: aluminium, composites, diamond, Ti-coated, tribology

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