Search results for: cluster-assembled materials

Authors: Mohammad Shafiul Alam, Mineo Saito

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Graphene-based materials have attracted much attention because they are candidates for post silicon materials. Since controlling of impurities is necessary to achieve nano device, we study hydrogen impurity in multi-layer graphene. We perform local spin Density approximation (LSDA) in which the plane wave basis set and pseudopotential are used. Previously hydrogen monomer and dimer in graphene is well theoretically studied. However, hydrogen on multilayer graphene is still not clear. By using first-principles electronic structure calculations based on the LSDA within the density functional theory method, we studied hydrogen monomers and dimers in two-layer graphene. We found that the monomers are spin-polarized and have magnetic moment 1 µB. We also found that most stable dimer is much more stable than monomer. In the most stable structures of the dimers in two-layer graphene, the two hydrogen atoms are bonded to the host carbon atoms which are nearest-neighbors. In this case two hydrogen atoms are located on the opposite sides. Whereas, when the two hydrogen atoms are bonded to the same sublattice of the host materials, magnetic moments of 2 µB appear in two-layer graphene. We found that when the two hydrogen atoms are bonded to third-nearest-neighbor carbon atoms, the electronic structure is nonmagnetic. We also studied hydrogen monomers and dimers in three-layer graphene. The result is same as that of two-layer graphene. These results are very important in the field of carbon nanomaterials as it is experimentally difficult to show the magnetic state of those materials.

Keywords: first-principles calculations, LSDA, multi-layer gra-phene, nanomaterials

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Authors: V. Shapaval, N. K. Afseth, D. Tzimorotas, A. Kohler

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Globally there is a dramatic increase in the demand for food, energy, materials and clean water since natural resources are limited. As a result, industries are looking for ways to reduce rest materials and to improve resource efficiency. Microorganisms have a high potential to be used as bio factories for the production of primary and secondary metabolites that represent high-value bio-products (enzymes, polyunsaturated fatty acids, bio-plastics, glucans, etc.). In order to find good microbial producers, to design suitable substrates from food rest materials and to optimize fermentation conditions, rapid analytical techniques for quantifying target bio products in microbial cells are needed. In the EU project FUST (R4SME, Fp7), we have developed a fully automated high-throughput FUST system based on micro-cultivation and FTIR spectroscopy that facilitates the screening of microorganisms, substrates and fermentation conditions for the optimization of the production of different high-value metabolites (single cell oils, bio plastics). The automated system allows the preparation of 100 samples per hour. Currently, The FUST system is in use for screening of filamentous fungi in order to find oleaginous strains with the ability to produce polyunsaturated fatty acids, and the optimization of cheap substrates, derived from food rest materials, and the optimization of fermentation conditions for the high yield of single cell oil.

Keywords: FTIR spectroscopy, FUST system, screening, biotechnology

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Authors: Mercedes Del Rio Merino, Jaime Santacruz Astorqui, Paola Villoria Saez, Carmen Viñas Arrebola

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The lack of treatment of the waste from construction and demolition waste (CDW) is a problem that must be solved immediately. It is estimated that in the world not to use CDW generates an increase in the use of new materials close to 20% of the total value of the materials used. The problem is even greater in case these wastes are considered hazardous because the final deposition of them may also generate significant contamination. Therefore, the possibility of including CDW in the manufacturing of building materials, represents an interesting alternative to ensure their use and to reduce their possible risk. In this context and in the last years, many researches are being carried out in order to analyze the viability of using CDW as a substitute for the traditional raw material of high environmental impact. Even though it is true, much remains to be done, because these works generally characterize materials but not specific applications that allow the agents of the construction to have the guarantees required by the projects. Therefore, it is necessary the involvement of all the actors included in the life cycle of these new construction materials, and also to promote its use for, for example, definition of standards, tax advantages or market intervention is necessary. This paper presents the main findings reached in "Waste to resources (W2R)" project since it began in October 2014. The main goal of the project is to develop new materials, elements and construction systems, manufactured from CDW, to be used in improving the energy efficiency of buildings. Other objectives of the project are: to quantify the CDW generated in the energy rehabilitation works, specifically wastes from the building envelope; and to study the traceability of CDW generated and promote CDW reuse and recycle in order to get close to the life cycle of buildings, generating zero waste and reducing the ecological footprint of the construction sector. This paper determines the most important aspects to consider during the design of new constructive solutions, which improve the energy efficiency of buildings and what materials made with CDW would be the most suitable for that. Also, a survey to select best practices for reducing "close to zero waste" in refurbishment was done. Finally, several pilot rehabilitation works conform the parameters analyzed in the project were selected, in order to apply the results and thus compare the theoretical with reality. Acknowledgements: This research was supported by the Spanish State Secretariat for Research, Development and Innovation of the Ministry of Economy and Competitiveness under "Waste 2 Resources" Project (BIA2013-43061-R).

Keywords: building waste, construction and demolition waste, recycling, resources

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Authors: C. D’Urso, L. Frusteri, M. Samperi, G. Leonardi

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Solid metal halides are used as active cathode ingredients in the case of Na-NiCl2 batteries that require a fused secondary electrolyte, sodium tetrachloraluminate (NaAlCl4), to facilitate the movement of the Na+ ion into the cathode. The sodium-nickel chloride (Na - NiCl2) battery has been extensively investigated as a promising system for large-scale energy storage applications. The growth of Ni and NaCl particles in the cathodes is one of the most important factors that degrade the performance of the Na-NiCl2 battery. The larger the particles of active ingredients contained in the cathode, the smaller the active surface available for the electrochemical reaction. Therefore, the growth of Ni and NaCl particles can lead to an increase in cell polarization resulting from the reduced active area. A higher current density, a higher state of charge (SOC) at the end of the charge (EOC) and a lower Ni / NaCl ratio are the main parameters that result in the rapid growth of Ni particles. In light of these problems, cathode and chemistry Nano-materials with recognized and well-documented electrochemical functions have been studied and manufactured to simultaneously improve battery performance and develop less expensive and more performing, sustainable and environmentally friendly materials. Starting from the well-known cathodic material (Na-NiCl2), the new electrolytic materials have been prepared on the replacement of nickel with iron (10-90%substitution of Nichel with Iron), to obtain a new material with potential advantages compared to current battery technologies; for example,, (1) lower cost of cathode material compared to state of the art as well as (2) choices of cheaper materials (stainless steels could be used for cell components, including cathode current collectors and cell housings). The study on the particle size of the cathode and the physicochemical characterization of the cathode was carried out in the test cell using, where possible, the GITT method (galvanostatic technique of intermittent titration). Furthermore, the impact of temperature on the different cathode compositions of the positive electrode was studied. Especially the optimum operating temperature is an important parameter of the active material.

Keywords: critical raw materials, energy storage, sodium metal halide, battery

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Authors: Hossein Kh. Bisheh, Nan Wu

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Advanced composite materials have a great importance in engineering structures due to their high specific modulus and strength and low weight. These materials can be used in design and fabrication of automotive drive shafts to reduce the weight of the structure. Hence, an optimum design of a composite drive shaft satisfying the design criteria, can be an appropriate substitution of metallic drive shafts. The aim of this study is to design and analyze a composite automotive drive shaft with high specific strength and low weight satisfying the design criteria. Tsai-Wu criterion is chosen as the failure criterion. Various designs with different lay-ups and materials are investigated based on the design requirements and finally, an optimum design satisfying the design criteria is chosen based on the weight and cost considerations. The results of this study indicate that if the weight is the main concern, a shaft made of Carbon/Epoxy can be a good option, and if the cost is a more important parameter, a hybrid shaft made of aluminum and Carbon/Epoxy can be considered.

Keywords: Bending natural frequency, Composite drive shaft, Peak torque, Torsional buckling

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Authors: Iftikhar Hussain, Muhammad Ahmad, Xi Chen, Li Yuxiang

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Transition metal phosphides and phosphates are newly emerged electrode material candidates in energy storage devices. For the first time, we report uniformly distributed, interconnected, and well-aligned two-dimensional nanosheets made from trimetallic Zn-Co-Ga phosphate (ZCGP) electrode materials with preserved crystal phase. It is found that the ZCGP electrode material exhibits about 2.85 and 1.66 times higher specific capacity than mono- and bimetallic phosphate electrode materials at the same current density. The trimetallic ZCGP electrode exhibits superior conductivity, lower internal resistance (IR) drop, and high Coulombic efficiency compared to mono- and bimetallic phosphate. The charge storage mechanism is studied for mono- bi- and trimetallic electrode materials, which illustrate the diffusion-dominated battery-type behavior. By means of density functional theory (DFT) calculations, ZCGP shows superior metallic conductivity due to the modified exchange splitting originating from 3d-orbitals of Co atoms in the presence of Zn and Ga. Moreover, a hybrid supercapacitor (ZCGP//rGO) device is engineered, which delivered a high energy density (ED) of 40 W h kg⁻¹ and a high-power density (PD) of 7,745 W kg⁻¹, lighting 5 different colors of light emitting diodes (LEDs). These outstanding results confirm the promising battery-type electrode materials for energy storage applications.

Keywords: trimetallic phosphate, nanosheets, DFT calculations, hybrid supercapacitor, binder-free, synergistic effect

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Authors: Mahmood Heshmati, Farhang Daneshmand

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Material scientists and engineers have introduced novel materials with complex geometries due to the recent technological advances and promotion of manufacturing methods. Among them, lattice structures with graded architectures denoted by functionally graded porous materials (FGPMs) have been developed to optimize the structural response. FGPMs are achieved by tailoring the size and density of the internal pores in one or more directions that lead to the desired mechanical properties and structural responses. Also, FGPMs provide more flexible transition and the possibility of designing and fabricating structural elements with complex and variable properties. In this paper, wave propagation in lattice structures with functionally graded (FG) porosity is investigated in order to examine the ability of shock absorbing effect. The behavior of FG porous beams with different porosity distributions under impact load and the effects of porosity distribution and porosity content on the wave speed are studied. Important conclusions are made, along with a discussion of the future scope of studies on FGPMs structures.

Keywords: functionally graded, porous materials, wave propagation, impact load, finite element

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Authors: C. W. Kan

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Heat setting is a commonly used technique in textile industry for treating synthetic fibers. In this study, we examined the effect of heat-setting process on the dyeing properties of polyester fabric. The heat setting conditions were varied, and these conditions would affect the dyeing results. The aim of this study is to illustrate the proper application method of heat setting process to polyester fabric, and the results could provide guidance note to the students in learning this topic. Acknowledgment: Authors would like to thank the financial support from the Hong Kong Polytechnic University for this work.

Keywords: learning materials, heat setting, polyester, dyeing

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Authors: M. Palizvan, M. H. Sadr, M. T. Abadi

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The representative volume element (RVE) plays a central role in the mechanics of random heterogeneous materials with a view to predicting their effective properties. In this paper, a computational homogenization methodology, developed to determine effective linear elastic properties of composite materials, is extended to predict the effective nonlinear elastoplastic response of long fiber reinforced composite. Finite element simulations of volumes of different sizes and fiber volume fractures are performed for calculation of the overall response RVE. The dependencies of the overall stress-strain curves on the number of fibers inside the RVE are studied in the 2D cases. Volume averaged stress-strain responses are generated from RVEs and compared with the finite element calculations available in the literature at moderate and high fiber volume fractions. For these materials, the existence of an RVE is demonstrated for the sizes of RVE corresponding to 10–100 times the diameter of the fibers. In addition, the response of small size RVE is found anisotropic, whereas the average of all large ones leads to recover the isotropic material properties.

Keywords: homogenization, periodic boundary condition, elastoplastic properties, RVE

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Authors: H. Higashiyama, M. Sano, F. Nakanishi, M. Sugiyama, M. Kawanishi, S. Tsukuma

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The heat island phenomenon and extremely hot summer climate are becoming environmental problems in Japan. Cool pavements reduce the surface temperature compared to conventional asphalt pavements in the hot summer climate and improve the thermal environment in the urban area. The authors have studied cement–based grouting materials poured into voids in porous asphalt pavements to reduce the road surface temperature. For the cement–based grouting material, cement, ceramic waste powder, and natural zeolite were used. This cement–based grouting material developed reduced the road surface temperature by 20 °C or more in the hot summer season. Considering the urban landscape, this study investigates the effect of surface temperature reduction of colored cement–based grouting materials containing pigments poured into voids in porous asphalt pavements by measuring the surface temperature of asphalt pavements outdoors. The yellow color performed the same as the original cement–based grouting material containing no pigment and was thermally better performance than the other color. However, all the tested cement–based grouting materials performed well for reducing the surface temperature and for creating the urban landscape.

Keywords: ceramic waste powder, natural zeolite, road surface temperature, asphalt pavement, urban landscape

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Authors: Angel Fabian Mijangos, Jaime Alvarez Quintana

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Waste heat occurs in many areas of daily life because world’s energy consumption is inefficient. In general, generating 1 watt of power requires about 3 watt of energy input and involves dumping into the environment the equivalent of about 2 watts of power in the form of heat. Therefore, an attractive and sustainable solution to the energy problem would be the development of highly efficient thermoelectric devices which could help to recover this waste heat. This work presents the influence on the thermoelectric properties of metallic, semiconducting, and dielectric nanoparticles added into the grain boundaries of polycrystalline antimony (Sb) and bismuth (Bi) matrixes in order to obtain p- and n-type thermoelectric materials, respectively, by hot pressing methods. Results show that thermoelectric properties are significantly affected by the electrical and thermal nature as well as concentration of nanoparticles. Nevertheless, by optimizing the amount of the nanoparticles on the grain boundaries, an oscillatory behavior in ZT as function of the concentration of the nanoscale constituents is present. This effect is due to energy filtering mechanism which module the quantity of charge transport in the system and affects thermoelectric properties. Accordingly, a ZTmax can be accomplished through the addition of the appropriate amount of nanoparticles into the grain boundaries region. In this case, till three orders of amelioration on ZT is reached in both systems compared with the reference sample of each one. This approach paves the way to pursuit high performance thermoelectric materials in a simple way and opens a new route towards the enhancement of the thermoelectric figure of merit.

Keywords: energy filtering, grain boundaries, thermoelectric, nanostructured materials

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Authors: Rashad Al Araj, Adil K. Tamimi

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Concrete, despite being one of the most produced materials in the world, still has weaknesses and drawbacks. Significant concern of the cementitious materials in structural applications is their quasi-brittle behavior, which causes the material to crack and lose its durability. One of the very recently proposed mitigations for this problem is the implementation of nanotechnology in the concrete mix by adding carbon nanotubes (CNTs) to it. CNTs can enhance the critical mechanical properties of concrete as a structural material. Thus, this paper demonstrates a state-of-the-art review of reinforcing concrete with CNTs, emphasizing on the structural performance. It also goes over the properties of CNTs alone, the present methods and costs associated with producing them, the possible special applications of concretes reinforced with CNTs, the key challenges and drawbacks that this new technology still encounters, and the most reliable practices and methodologies to produce CNT-reinforced concrete in the lab. This work has shown that the addition of CNTs to the concrete mix in percentages as low as 0.25% weight of cement could increase the flexural strength and toughness of concrete by more than 45% and 25%, respectively, and enhance other durability-related properties, given that an effective dispersion of CNTs in the cementitious mix is achieved. Since nano reinforcement for cementitious materials is a new technology, many challenges have to be tackled before it becomes practiced at the mass level.

Keywords: sustainability, carbon nano tube, microsilica, concrete

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Authors: Jigar Shaileshumar Halpati, Aravind Kumar Chandiran

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Vacancy ordered double perovskites (VOPs) have been significantly attracting researchers due to their chemical structure diversity and interesting optoelectronic properties. Some VOPs have been recently reported to be suitable photoelectrodes for photoelectrochemical water-splitting reactions due to their high stability and panchromatic absorption. In this work, we systematically synthesized mixed tetravalent VOPs based on Cs₂RuₘPt₁-ₘX₆ (X = Cl-, Br-) and reported their structural, optical, electrochemical and photoelectrochemical properties. The structural characterization confirms that the mixed tetravalent site intermediates formed their own phases. The parent materials, as well as their intermediates, were found to be stable in ambient conditions for over 1 year and also showed incredible stability in harsh pH media ranging from pH 1 to pH 11. Moreover, these materials showed panchromatic absorption with onset up to 1000 nm depending upon the mixture stoichiometry. The extraordinary stability and excellent absorption properties make them suitable materials for photoelectrochemical water-splitting applications. PEC studies of these series of materials showed a high water oxidation photocurrent of 0.56 mA cm-² for Cs₂Ru₀.₅Pt₀.₅Cl₆. Fundamental investigation from photoelectrochemical reactions revealed that the intrinsic ruthenium-based VOP showed enhanced hole transfer to the electrolyte, while the intrinsic platinum-based VOP showed higher photovoltage. The mix of these end members at the tetravalent site showed a synergic effect of reduced charge transfer resistance from the material to the electrolyte and increased photovoltage, which led to increased PEC performance of the intermediate materials.

Keywords: solar water splitting, photo electrochemistry, photo absorbers, material characterization, device characterization, green hydrogen

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Authors: Zakiul Fuady, Ismail AB, Fauzi, Zulfian

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This research was conducted to analyze the absorption coefficients of sound at several types of materials as well as its combinations. The aim of this research was to find the value of sound absorption coefficients on the materials and its combinations. The materials used in this research were gypsum panel, gypsum-fibre palm, fibre palm-gypsum, and foamed concrete-fibre palm. The test was conducted by using a method of reverberation chamber based on the ISO 354-1985 with the types of the sound source: white noise and pink noise at the frequency of 125 Hz - 8000 Hz. Based on the test results of white noise, it was found that the panel of gypsum-fibre palm has α = 0.93 at low frequency; the panel of fibre palm has α = 0.97 at a medium frequency; and the panel of foamed concrete-fibre palm has α = 0.89 at high frequency. Further, for the sound source of pink noise, it was found that the panel of gypsum-fibre palm has α = 0.99 at low level; the panel of fibre palm-gypsum has α = 0.86 at medium level; and the panel of fibre palm-gypsum has α = 0.64 at high level. The fibre palm panel could absorb the sounds well since this material has bigger airspace (pore) than the foamed concrete and gypsum. Consequently, when the sounds wave enters to this material it will be trapped in the space. The panel of fibre palm affected an increasing of sound absorption coefficient value at the combination materials when the panel of fibre palm was placed under another panel. However, the absorption coefficient values of both fibre palm and fibre palm-gypsum panels are about the same.

Keywords: coefficient of sound absorption, pink noise, white noise, palm

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Authors: Roman Major, Klaudia Trembecka- Wojciga, Juergen Markus Lackner, Boguslaw Major

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The future and the development of science is therefore seen in interdisciplinary areas such as bio medical engineering. Self-assembled structures, similar to stem cell niches would inhibit fast division process and subsequently capture the stem cells from the blood flow. By means of surface topography and the stiffness as well as micro structure progenitor cells should be differentiated towards the formation of endothelial cells monolayer which effectively will inhibit activation of the coagulation cascade. The idea of the material surface development met the interest of the clinical institutions, which support the development of science in this area and are waiting for scientific solutions that could contribute to the development of heart assist systems. This would improve the efficiency of the treatment of patients with myocardial failure, supported with artificial heart assist systems. Innovative materials would enable the redesign, in the post project activity, construction of ventricular heart assist.

Keywords: bio-inspired materials, electron microscopy, haemocompatibility, niche-like structures, thin coatings

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Authors: Concetta Busacca, Leone Frusteri, Orazio Di Blasi, Alessandra Di Blasi

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The large-scale extension of renewable energy led, recently, to the development of efficient and low-cost electrochemical energy storage (EES) systems such as batteries. Although lithium-ion battery (LIB) technology is relatively mature, several issues regarding safety, cyclability, and high costs must be overcome. Thanks to the availability and low cost of sodium, sodium-ion batteries (NIB) have the potential to meet the energy storage needs of the large-scale grid, becoming a valid alternative to LIB in some energy sectors, such as the stationary one. However, important challenges such as low specific energy and short cyclic life due to the large radius of Na+ must be faced to introduce this technology into the market. As an important component of SIBs, cathode materials have a significant effect on the electrochemical performance of SIBs. Recently, sodium layer transition metal oxides, phosphates, and organic compounds have been investigated as cathode materials for SIBs. In particular, phosphate-based compounds such as NaₓMPO₄ (M= Fe, Co, Mn) have been extensively studied as cathodic polyanion materials due to their long cycle stability and appropriate operating voltage. Among these, an interesting cathode material is the NaMnPO₄ based one, thanks to the stability and the high redox potential of the Mn²⁺/Mn³⁺ ion pair (3÷4 V vs. Na+/Na), which allows reaching a high energy density. This work concerns with the synthesis of a composite material based on NaMnPO₄ and carbon nanofibers (NaMnPO₄-CNF) characterized by a mixed crystalline structure between the maricite and olivine phases and a self-standing manufacture obtained by electrospinning technique. The material was tested in a Na-ion battery coin cell in half cell configuration, and showed outstanding electrocatalytic performances with a specific discharge capacity of 125 mAhg⁻¹ and 101 mAhg⁻¹ at 0.3C and 0.6C, respectively, and a retention capacity of about 80% a 0.6C after 100 cycles.

Keywords: electrospinning, self standing materials, Na ion battery, cathode materials

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Authors: Mulubrhan Berihu

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Due to the design versatility, availability, and cost efficiency, concrete continues to be the most used construction material on earth. However, the production of Portland cement, the primary component of concrete mix is causing to have a serious effect on environmental and economic impacts. This shows there is a need to study using of supplementary cementitious materials (SCMs). The most commonly used supplementary cementitious materials are wastes, and the use of these industrial waste products has technical, economic, and environmental benefits besides the reduction of CO2 emission from cement production. This paper aims to document the effect on the strength property of concrete due to the use of low cement by maximizing supplementary cementitious materials like fly ash. The amount of cement content was below 250 kg/m3, and in all the mixes, the quantity of powder (cement + fly ash) is almost kept at about 500 kg. According to this, seven different cement content (250 kg/m3, 195 kg/m3, 150 kg/m3, 125 kg/m3, 100 kg/m3, 85 kg/m3, 70 kg/m3) with different amount of replacement of SCMs was conducted. The mix proportion was prepared by keeping the water content constant and varying the cement content, SCMs, and water-to-binder ratio. Based on the different mix proportions of fly ash, a range of mix designs was formulated. The test results showed that using up to 85 kg/m3 of cement is possible for plain concrete works like hollow block concrete to achieve 9.8 Mpa, and the experimental results indicate that strength is a function of w/b. The experiment result shows a big difference in gaining of compressive strength from 7 days to 28 days and this obviously shows the slow rate of hydration of fly ash concrete. As the w/b ratio increases, the strength decreases significantly. At the same time, higher permeability was seen in the specimens which were tested for three hours than one hour.

Keywords: efficiency factor, cement content, compressive strength, mix proportion, w/c ratio, water permeability, SCMs

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Authors: Fadi Althoey, Yaghoob Farnam

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Sodium chloride (NaCl) can interact with the tricalcium aluminate (C3A) and its hydrates in concrete matrix. This interaction can result in formation of a harmful chemical phase as the temperature changes. It is thought that this chemical phase is embroiled in the premature concrete deterioration in the cold regions. This work examines the potential formation of the harmful chemical phase in various pastes prepared by using different types of ordinary portland cement (OPC) and supplementary cementitious materials (SCMs). The quantification of the chemical phase was done by using a low temperature differential scanning calorimetry. The results showed that the chemical phase formation can be reduced by using Type V cement (low content of C3A). The use of SCMs showed different behaviors on the formation of the chemical phase. Slag and Class F fly ash can reduce the chemical phase by the dilution of cement whereas silica fume can reduce the amount of the chemical phase by dilution and pozzolanic activates. Interestingly, the use of Class C fly ash has a negative effect on concrete exposed to NaCl through increasing the formation of the chemical phase.

Keywords: concrete, damage, chemcial phase, NaCl, SCMs

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Authors: Elakneswaran Yogarajah, Toyoharu Nawa, Eiji Owaki

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Cement-based materials have been using in various reinforced concrete structural components as well as in nuclear waste repositories. The sulfate attack has been an environmental issue for cement-based materials exposed to sulfate bearing groundwater or soils, and it plays an important role in the durability of concrete structures. The reaction between penetrating sulfate ions and cement hydrates can result in swelling, spalling and cracking of cement matrix in concrete. These processes induce a reduction of mechanical properties and a decrease of service life of an affected structure. It has been identified that the precipitation of secondary sulfate bearing phases such as ettringite, gypsum, and thaumasite can cause the damage. Furthermore, crystallization of soluble salts such as sodium sulfate crystals induces degradation due to formation and phase changes. Crystallization of mirabilite (Na₂SO₄:10H₂O) and thenardite (Na₂SO₄) or their phase changes (mirabilite to thenardite or vice versa) due to temperature or sodium sulfate concentration do not involve any chemical interaction with cement hydrates. Over the past couple of decades, an intensive work has been carried out on sulfate attack in cement-based materials. However, there are several uncertainties still exist regarding the mechanism for the damage of concrete in sulfate environments. In this study, modelling work has been conducted to investigate the chemical degradation of cementitious materials in various sulfate environments. Both internal and external sulfate attack are considered for the simulation. In the internal sulfate attack, hydrate assemblage and pore solution chemistry of co-hydrating Portland cement (PC) and slag mixing with sodium sulfate solution are calculated to determine the degradation of the PC and slag-blended cementitious materials. Pitzer interactions coefficients were used to calculate the activity coefficients of solution chemistry at high ionic strength. The deterioration mechanism of co-hydrating cementitious materials with 25% of Na₂SO₄ by weight is the formation of mirabilite crystals and ettringite. Their formation strongly depends on sodium sulfate concentration and temperature. For the external sulfate attack, the deterioration of various types of cementitious materials under external sulfate ingress is simulated through reactive transport model. The reactive transport model is verified with experimental data in terms of phase assemblage of various cementitious materials with spatial distribution for different sulfate solution. Finally, the reactive transport model is used to predict the long-term performance of cementitious materials exposed to 10% of Na₂SO₄ for 1000 years. The dissolution of cement hydrates and secondary formation of sulfate-bearing products mainly ettringite are the dominant degradation mechanisms, but not the sodium sulfate crystallization.

Keywords: thermodynamic calculations, reactive transport, radioactive waste disposal, PHREEQC

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Authors: Douglas Yeboah, Jai Singh

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It has been experimentally demonstrated that exciton diffusion length in organic solids can be improved by fine-tuning the material parameters that govern exciton transfer. Here, a theoretical study is carried out to support this finding. We have therefore derived expressions for the exciton diffusion length and diffusion coefficient of singlet and triplet excitons using Förster resonance energy transfer and Dexter carrier transfer mechanisms and are plotted as a function of photoluminescence (PL) quantum yield, spectral overlap integral, refractive index and dipole moment of the photoactive material. We found that singlet exciton diffusion length increases with PL quantum yield and spectral overlap integral, and decreases with increase in refractive index. Likewise, the triplet exciton diffusion length increases when PL quantum yield increases and dipole moment decreases. The calculated diffusion lengths in different organic materials are compared with existing experimental values and found to be in reasonable agreement. The results are expected to provide insight in developing new organic materials for fabricating bulk heterojunction (BHJ) organic solar cells (OSCs) with better photoconversion efficiency.

Keywords: Dexter carrier transfer, diffusion coefficient, exciton diffusion length, Föster resonance energy transfer, photoactive materials, photophysical parameters

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Authors: Ali Jamshidi, Kiyofumi Kurumisawa, Toyoharu Nawa

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Transportation infrastructure assets can be considered as backbone of transportation system. They are routinely developed and or maintained which can be used effectively for movement of passengers, commodities and providing vital services. However, the infrastructure assets construction, maintenance and rehabilitation significantly depend on non-renewable natural resources, such as carbon-based energy carriers and aggregate materials. In this study, effects of thermal properties of aggregate materials were characterized for production of hot-mix asphalt in Japan, as a case study. The results indicated that incorporation of the aggregate with lower required heat energy significantly reduces fuel consumption greenhouse gas emission, irrespective of physical property of aggregate. The results also clearly showed that as 75% high-energy limestone is replaced with low-energy limestone in producing an asphalt mixture at 180 °C, 97,879 Japanese households would be energized per annum using the saved energy without any modification in the current asphalt mixing plants.

Keywords: zero energy infrastructure, sustainable development, greenhouse gas emission, asphalt pavement

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Authors: M. Torres, A. Moulay, M. Zhuldybina, M. Rozel, N. D. Trinh, C. Bois

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Printed electronics are a fast-growing market as their applications cover a large range of industrial needs, their production cost is low, and the additive printing techniques consume less materials than subtractive manufacturing methods used in traditional electronics. With the growing demand for printed electronics, there are concerns about their harmful and irreversible contribution to the environment. Indeed, it is estimated that 80% of the environmental load of a product is determined by the choices made at the conception stage. Therefore, examination through a life cycle approach at the developing stage of a novel product is the best way to identify potential environmental issues and make proactive decisions. Life cycle analysis (LCA) is a comprehensive scientific method to assess the environmental impacts of a product in its different stages of life: extraction of raw materials, manufacture and distribution, use, and end-of-life. Impacts and major hotspots are identified and evaluated through a broad range of environmental impact categories of the ReCiPe (H) middle point method. At the conception stage, the LCA is a tool that provides an environmental point of view on the choice of materials and processes and weights-in on the balance between performance materials and eco-friendly materials. Using the life cycle approach, the current work aims to provide a cradle-to-grave life cycle assessment of a roll-to-roll hybrid printed smart label designed for the food cold chain. Furthermore, this presentation will present the environmental impact of metallic conductive inks, a comparison with promising conductive polymers, evaluation of energy vs. performance of industrial printing processes, a full assessment of the impact from the smart label applied on a cellulosic-based substrate during the recycling process and the possible recovery of precious metals and rare earth elements.

Keywords: Eco-design, label, life cycle assessment, printed electronics

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Authors: Indraj Singh, Xuan Lee, Yu-Chieh Cheng

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Scientists are very keen on biomimetic research that mimics biological species to micro-robotic devices with the novel functionalities and accessibility. The source of inspiration is the complexity, sophistication, and intelligence of the biological systems. In this work, we design a light-driven star-shaped microgripper, an autonomous soft device which can change the shape under the external stimulus such as light. The design is based on light-responsive Liquid Crystal Elastomers which fabricated onto the polymer coated aligned substrate. The change in shape, controlled by the anisotropicity and the molecular orientation of the Liquid Crystal Elastomer, based on the external stimulus. This artificial star-shaped microgripper is capable of autonomous closure and capable to grab the objects in response to an external stimulus. This external stimulus-responsive materials design, based on soft active smart materials, provides a new approach to autonomous, self-regulating optical systems.

Keywords: liquid crystal elastomers, microgripper, smart materials, robotics

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Authors: Elida M. R. Bonifacio

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English language proficiency has become an essential issue in aviation communication after aviation incidents, and accidents happened. Lack of proficiency or inappropriate use of the English language has been found as one of the factors that cause most of those incidents or accidents. Therefore, the International Civil Aviation Organization (ICAO) established the requirements for minimum English language proficiency of aviation personnel, especially pilots and air traffic controllers in the 192 member states. In Brazil, the discussions about this topic became patent after an accident that occurred in 2006, which was a mid-air collision and costed the life of 154 passengers and crew members. Thus, the number of schools and private practitioners willing to teach English for aviation purposes started to increase. Although the number of teaching materials internationally used for general purposes is relatively large, it would be inappropriate to adopt the same materials in classes that focus on communication in aviation contexts. On the contrary, the options of aviation English materials are scarce; moreover, they are internationally used and may not fulfill the linguistic needs of all their users around the world. In order to diminish the problems that Brazilian practitioners may encounter in the adoption of materials that demand a great level of adaptation to meet their students’ needs, a checklist was thought to evaluate textbooks. The aim of this paper is to propose a checklist that evaluates textbooks used in English language training of Brazilian air traffic controllers. The criteria used to compound the checklist are based on materials development literature, as well as on linguistic requirements established by ICAO on its publications, on English for Specific Purposes (ESP) principles, and on Brazilian aviation English language proficiency test format. The checklist has as main indicators the language learning tenets under which the book was written, graphical features, lexical, grammatical and functional competencies required for minimum proficiency, similarities to official testing format, and support materials, totaling 117 items marked as YES, NO or PARTIALLY. In order to verify if the use of the checklist is effective, an aviation English textbook was evaluated. From this evaluation, it is possible to measure quantitatively how much the material meets the students’ needs and to offer a tool to help professionals engaged in aviation English teaching around the world to choose the most appropriate textbook according to their audience. From the results, practitioners are able to verify which items the material does not fulfill and to make proper adaptations since the perfect material will be difficult to find.

Keywords: aviation English, ICAO, materials development, English language proficiency

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Authors: Haiming Wen

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Grain growth is an important and consequential phenomenon that generally occurs in the presence of thermal and/or stress/strain fields. Thermally activated grain growth has been extensively studied and similarly, there are numerous experimental and theoretical studies published describing stress-induced grain growth in single-phase materials. However, studies on grain growth during the simultaneous presence of an elevated temperature and an external stress are very limited, and moreover, grain growth phenomena in materials containing second-phase particles and solute segregation at GBs have received limited attention. This lecture reports on a study of grain growth in the presence of second-phase particles and solute/impurity segregation at grain boundaries (GBs) during high-temperature deformation of an ultra-fine grained (UFG) Al alloy synthesized via consolidation of mechanically milled powders. The mechanisms underlying the grain growth were identified as GB migration and grain rotation, which were accompanied by dynamic recovery and geometric dynamic recrystallization, while discontinuous dynamic recrystallization was not operative. A theoretical framework that incorporates the influence of second-phase particles and solute/impurity segregation at GBs on grain growth in presence of both elevated temperature and external stress is formulated and discussed. The effect of second-phase particles and solute/impurity segregation at GBs on GB migration and grain rotation was quantified using the proposed theoretical framework, indicating that both second-phase particles and solutes/impurities segregated GBs reduce the velocities of GB migration and grain rotation as compared to those in commercially pure Al. Our results suggest that grain growth predicted by the proposed theoretical framework is in agreement with experimental results. Hence, the developed theoretical framework can be applied to quantify grain growth in simultaneous presence of external stress, elevated temperature, GB segregation and second-phase particles, or in presence of one or more of the aforementioned factors.

Keywords: nanocrystalline materials, ultra-fine grained materials, grain growth, grain boundary migration, grain rotation

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Authors: Damien Rinsant, Eugen Andreiadis, Michael Carboni, Daniel Meyer

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Different types of materials have been developed for the solid/liquid uranium extraction processes, such as functionalized organic polymers, hybrid silica or inorganic adsorbents. In general, these materials exhibit a moderate affinity for uranyl ions and poor selectivity against impurities like iron, vanadium or molybdenum. Moreover, the structural organization deficiency of these materials generates ion diffusion issues inside the material. Therefore, the aim of our study is to developed efficient and organized materials, stable in the acid media encountered in uranium extraction processes. Metal organic frameworks (MOFs) are hybrid crystalline materials consisting of an inorganic part (cluster or metal ions) and tailored organic linkers connected via coordination bonds. These hierarchical materials have exceptional surface area, thermal stability and a large variety of tunable structures. However, due to the reversibility of constitutive coordination bonds, MOFs have moderate stability in strongly complexing or acidic media. Only few of them are known to be stable in aqueous media and only one example is described in strong acidic media. However, these conditions are very often encountered in the environmental pollution remediation of mine wastewaters. To tackle the challenge of developing MOFs adapted for uranium extraction from acid mine waters, we have investigated the stability of several materials. To ensure a good stability we have synthetized and characterized different materials based on highly coordinated metal clusters, such as LnOFs and Zirconium based materials. Among the latter, the UiO family shows a great stability in sulfuric acid media even in the presence of 1.4 M sodium sulfate at pH 2. However, the stability in phosphoric media is reduced due to the high affinity between zirconium and phosphate ligand. Based on these results, we have developed a tertiary amine functionalized MOF denoted UiO-68-NMe2 particularly adapted for the extraction of anionic uranyl (VI) sulfate complexes mainly present in the acid mine solutions. The adsorption capacity of the material has been determined upon varying total sulfate concentration, contact time and uranium concentration. The extraction tests put in evidence different phenomena due to the complexity of the extraction media and the interaction between the MOF and sulfate anion. Finally, the extraction mechanisms and the interaction between uranyl and the MOF structure have been investigated. The functionalized material UiO-68-NMe2 has been characterized in the presence and absence of uranium by FT-IR, UV and Raman techniques. Moreover, the stability of the protonated amino functionalized MOF has been evaluated. The synthesis, characterization and evaluation of this type of hybrid material, particularly adapted for uranium extraction in sulfuric acid media by an anionic exchange mechanism, paved the way for the development of metal organic frameworks functionalized by different other chelating motifs, such as bifunctional ligands showing an enhanced affinity and selectivity for uranium in acid and complexing media. Work in this direction is currently in progress.

Keywords: extraction, MOF, ligand, uranium

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Authors: Emre Basturk, Memet Vezir Kahraman

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In many developing countries, with the rapid economic improvements, energy shortage and environmental issues have become a serious problem. Therefore, it has become a very critical issue to improve energy usage efficiency and also protect the environment. Thermal energy storage system is an essential approach to match the thermal energy claim and supply. Thermal energy can be stored by heating, cooling or melting a material with the energy and then enhancing accessible when the procedure is reversed. The overall thermal energy storage techniques are sorted as; latent heat or sensible heat thermal energy storage technology segments. Among these methods, latent heat storage is the most effective method of collecting thermal energy. Latent heat thermal energy storage depend on the storage material, emitting or discharging heat as it undergoes a solid to liquid, solid to solid or liquid to gas phase change or vice versa. Phase change materials (PCMs) are promising materials for latent heat storage applications due to their capacities to accumulate high latent heat storage per unit volume by phase change at an almost constant temperature. Phase change materials (PCMs) are being utilized to absorb, collect and discharge thermal energy during the cycle of melting and freezing, converting from one phase to another. Phase Change Materials (PCMs) can generally be arranged into three classes: organic materials, salt hydrates and eutectics. Many kinds of organic and inorganic PCMs and their blends have been examined as latent heat storage materials. Organic PCMs are rather expensive and they have average latent heat storage per unit volume and also have low density. Most organic PCMs are combustible in nature and also have a wide range of melting point. Organic PCMs can be categorized into two major categories: non-paraffinic and paraffin materials. Paraffin materials have been extensively used, due to their high latent heat and right thermal characteristics, such as minimal super cooling, varying phase change temperature, low vapor pressure while melting, good chemical and thermal stability, and self-nucleating behavior. Ultraviolet (UV)-curing technology has been generally used because it has many advantages, such as low energy consumption , high speed, high chemical stability, room-temperature operation, low processing costs and environmental friendly. For many years, PCMs have been used for heating and cooling industrial applications including textiles, refrigerators, construction, transportation packaging for temperature-sensitive products, a few solar energy based systems, biomedical and electronic materials. In this study, UV-curable, fatty alcohol containing soybean oil based phase change materials (PCMs) were obtained and characterized. The phase transition behaviors and thermal stability of the prepared UV-cured biobased PCMs were analyzed by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The heating process phase change enthalpy is measured between 30 and 68 J/g, and the freezing process phase change enthalpy is found between 18 and 70 J/g. The decomposition of UVcured PCMs started at 260 ºC and reached a maximum of 430 ºC.

Keywords: fatty alcohol, phase change material, thermal energy storage, UV curing

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Authors: E. A. Krasikov

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Dependence of the materials properties on neutron irradiation intensity (flux) is a key problem while usage data of the accelerated materials irradiation in test reactors for forecasting of their capacity for work in realistic (practical) circumstances of operation. Investigations of the reactor pressure vessel steel radiation degradation dependence on fast neutron fluence (embrittlement kinetics) at low flux reveal the instability in the form of the scatter of the experimental data and wave-like sections of embrittlement kinetics appearance. Disclosure of the steel degradation oscillating is a sign of the steel structure cyclic self-recovery transformation as it take place in self-organization processes. This assumption has received support through the discovery of the similar ‘anomalous’ data in scientific publications and by means of own additional experiments. Data obtained stimulate looking-for ways to management of the structural steel radiation stability (for example, by means of nano - structure modification for radiation defects annihilation intensification) for creation of the intelligent self-recovering material. Expected results: - radiation degradation theory and mechanisms development, - more adequate models of the radiation embrittlement elaboration, - surveillance specimen programs improvement, - methods and facility development for usage data of the accelerated materials irradiation for forecasting of their capacity for work in realistic (practical) circumstances of operation, - search of the ways for creating of the radiation stable self-recovery intelligent materials.

Keywords: degradation, radiation, steel, wave-like kinetics

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Authors: Ionel Botef

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Aerospace products operate in very aggressive environments characterized by high temperature, high pressure, large stresses on individual components, the presence of oxidizing and corroding atmosphere, as well as internally created or externally ingested particulate materials that induce erosion and impact damage. Consequently, during operation, the materials of individual components degrade. In addition, the impact of maintenance costs for both civil and military aircraft was estimated at least two to three times greater than initial purchase values, and this trend is expected to increase. As a result, for viable product realisation and maintenance, a spectrum of issues regarding novel processing technologies, innovation of new materials, performance, costs, and environmental impact must constantly be addressed. One of these technologies, namely the cold-gas dynamic-spray process has enabled a broad range of coatings and applications, including many that have not been previously possible or commercially practical, hence its potential for new aerospace applications. Therefore, the purpose of this paper is to summarise the state of the art of this technology alongside its theoretical and experimental studies, and explore how the cold-gas dynamic-spray process could be integrated within a framework that finally could lead to more efficient aircraft maintenance. Based on the paper's qualitative findings supported by authorities, evidence, and logic essentially it is argued that the cold-gas dynamic-spray manufacturing process should not be viewed in isolation, but should be viewed as a component of a broad framework that finally leads to more efficient aerospace operations.

Keywords: aerospace, aging aircraft, cold spray, materials

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Authors: Othmane Essahili, Mohamed Ilsouk, Carine Duhayon, Omar Moudam

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Due to their excellent and promising properties, a great deal of attention has recently been devoted to luminescent materials, particularly those utilizing rare earth elements. These materials play an essential role in low-cost energy conversion technology applications, such as luminescent solar concentrators (LSCs). They also have potential applications in Agri-PV systems and smart building windows. Luminescent materials based on europium (III) complexes are known for their high luminescence efficiency, long fluorescence lifetimes, and sharp emission bands. However, they present certain drawbacks related to their limited absorption capacity due to the forbidden 4f-4f electronic transitions. To address these drawbacks, using β-diketonate ligands as sensitizers appears as a promising solution to enhance luminescence intensity through the antenna effect, where the ligand's excited energy is transferred to the europium ions. In this study, we synthesized β-diketonate-based europium complexes with phenanthroline derivatives, modified with various methyl groups, to examine their effects on the complexes' stability in poly(methyl methacrylate) (PMMA) films. Our findings reveal that these complexes exhibit remarkable red emission and high photoluminescence quantum yield. Stability tests under different conditions for 1200 hours showed that complexes with a higher number of methyl substitutions offer improved photoluminescent stability and resistance to degradation, particularly in outdoor settings. This research underscores the potential of chemically tuned phenanthroline ligands in developing stable, efficient luminescent materials for future optoelectronic devices, including efficient and durable LSCs.

Keywords: luminescent materials, photochemistry, luminescent solar concentrators, β-diketonate-based europium complexes

Procedia PDF Downloads 63