Search results for: crystalline admixtures
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 516

Search results for: crystalline admixtures

516 Efficacy of Crystalline Admixtures in Self-Healing Capacity of Fibre Reinforced Concrete

Authors: Evangelia Tsampali, Evangelos Yfantidis, Andreas Ioakim, Maria Stefanidou

Abstract:

The purpose of this paper is the characterization of the effects of crystalline admixtures on concrete. Crystallites, aided by the presence of humidity, form idiomorphic crystals that block cracks and pores resulting in reduced porosity. In this project, two types of crystallines have been employed. The hydrophilic nature of crystalline admixtures helps the components to react with water and cement particles in the concrete to form calcium silicate hydrates and pore-blocking precipitates in the existing micro-cracks and capillaries. The underlying mechanism relies on the formation of calcium silicate hydrates and the resulting deposits of these crystals become integrally bound with the hydrated cement paste. The crystalline admixtures continue to activate throughout the life of the composite material when in the presence of moisture entering the concrete through hairline cracks, sealing additional gaps. The resulting concrete exhibits significantly increased resistance to water penetration under stress. Admixtures of calcium aluminates can also contribute to this healing mechanism in the same manner. However, this contribution is negligible compared to the calcium silicate hydrates due to the abundance of the latter. These crystalline deposits occur throughout the concrete volume and are a permanent part of the concrete mass. High-performance fibre reinforced cementitious composite (HPFRCC) were produced in the laboratory. The specimens were exposed in three healing conditions: water immersion until testing at 15 °C, sea water immersion until testing at 15 °C, and wet/dry cycles (immersion in tap water for 3 days and drying for 4 days). Specimens were pre-cracked at 28 days, and the achieved cracks width were in the range of 0.10–0.50 mm. Furthermore, microstructure observations and Ultrasonic Pulse Velocity tests have been conducted. Based on the outcomes, self-healing related indicators have also been defined. The results show almost perfect healing capability for specimens healed under seawater, better than for specimens healed in water while inadequate for the wet/dry exposure in both of the crystalline types.

Keywords: autogenous self-healing, concrete, crystalline admixtures, ultrasonic pulse velocity test

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515 Study of Metakaolin-Based Geopolymer with Addition of Polymer Admixtures

Authors: Olesia Mikhailova, Pavel Rovnaník

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In the present work, metakaolin-based geopolymer including different polymer admixtures was studied. Different types of commercial polymer admixtures VINNAPAS® and polyethylene glycol of different relative molecular weight were used as polymer admixtures. The main objective of this work is to investigate the influence of different types of admixtures on the properties of metakaolin-based geopolymer mortars considering their different dosage. Mechanical properties, such as flexural and compressive strength were experimentally determined. Also, study of the microstructure of selected specimens by using a scanning electron microscope was performed. The results showed that the specimen with addition of 1.5% of VINNAPAS® 7016 F and 10% of polyethylene glycol 400 achieved maximum mechanical properties.

Keywords: geopolymer, mechanical properties, metakaolin, microstructure, polymer admixtures, porosity

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514 Performance of Air Cured Concrete Treated with Waterproofing Admixtures or Surface Treatments

Authors: Sirwan Kamal, Hsein Kew, Hamid Jahromi

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This paper reports results of a study conducted to investigate strength, sorptivity, and permeability under pressure of concrete specimens, cured using a water-based curing compound. The specimens are treated with waterproofing admixtures or surface treatments to enhance performance while exposed to water. Four types of concrete specimens were prepared in the laboratory, Portland cement (CEM I), Portland-fly ash (CEM II/A-V), Blast-furnace cement (CEM III) and Portland-silica fume (CEM II/A-D). Concrete cubes were de-molded three hours after casting, and sprayed with a curing compound. Admixtures were added to the mix during batching, whereas surface treatments were applied on concrete after 28 days. Compressive strength test was carried out to assess the efficiency of curing compound to develop required strength. In addition, sorptivity and permeability tests were conducted to evaluate the performance of treated specimens with respect to water ingress. Results show that strength development in specimens cured with curing compound achieved up to 96% and 90% at 7 and 28 days respectively, compared to cubes cured in water. Moreover, specimens treated with waterproofing admixtures or surface treatments materials characterized by hydrophobic impregnation considerably reduced water penetration compared to untreated control cubes. On the other hand, cubes treated with admixtures or surface treatments materials characterized by crystalline effect were ineffective in reducing water penetration.

Keywords: admixtures, concrete, curing compound, surface treatments

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513 The Effect of Urmia-Lake Water on Tensional Strength Concrete with Various Admixtures

Authors: Hadi Barghlame, M. A. Lotfollahi-Yaghin, Mehdi Mohammad Rezaei

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In this paper, the effect of admixtures on the tensional strength of concrete in Urmia-lake water have been investigated. We made different types of concretes with the ratio of w/c and replaced different percentages of micro-silica, air-entraining, super plasticizer, corrosion-inhibiting, and caulk with two types of cement I and II as well as investigating in both ordinary water and Urmia-lake water. The tensional strength was investigated on these samples.

Keywords: Urmia-lake water, tensional strength, concrete, admixtures

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512 Effect of Mineral Admixtures on Transport Properties of SCCs Composites: Influence of Mechanical Damage

Authors: Davood Niknezhad, Siham Kamali-Bernard

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Concrete durability is one of the most important considerations in the design of new structures in aggressive environments. It is now common knowledge that the transport properties of a concrete, i.e; permeability and chloride diffusion coefficient are important indicators of its durability. The development of microcracking in concrete structures leads to significant permeability and to durability problems as a result. The main objective of the study presented in this paper is to investigate the influence of mineral admixtures and impact of compressive cracks by mechanical uniaxial compression up to 80% of the ultimate strength on transport properties of self-compacting concrete (SCC) manufactured with the eco-materials (metakaolin, fly ash, slag HF). The chloride resistance and binding capacity of the different SCCs produced with the different admixtures in damaged and undamaged state are measured using a chloride migration test accelerated by an external applied electrical field. Intrinsic permeability is measured using the helium gas and one permeameter at constant load. Klinkenberg approach is used for the determination of the intrinsic permeability. Based on the findings of this study, the use of mineral admixtures increases the resistance of SCC to chloride ingress and reduces their permeability. From the impact of mechanical damage, we show that the Gas permeability is more sensitive of concrete damaged than chloride diffusion. A correlation is obtained between the intrinsic permeability and chloride migration coefficient according to the damage variable for the four studied mixtures.

Keywords: SCC, concrete durability, transport properties, gas permeability, chloride diffusion, mechanical damage, mineral admixtures

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511 The Effects of Orientation on Energy and Plasticity of Metallic Crystalline-Amorphous Interface

Authors: Ehsan Alishahi, Chuang Deng

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Commercial applications of bulk metallic glasses (BMGs) were restricted due to the sudden brittle failure mode which was the main drawback in these new class of materials. Therefore, crystalline-amorphous (C-A) composites were introduced as a toughening strategy in BMGs. In spite of numerous researches in the area of metallic C-A composites, the fundamental structure-property relation in these composites that are not exactly known yet. In this study, it is aimed to investigate the fundamental properties of crystalline-amorphous interface in a model system of Cu/CuZr by using molecular dynamics simulations. Several parameters including interface energy and mechanical properties were investigated by means of atomic models and employing Embedded Atom Method (EAM) potential function. It is found that the crystalline-amorphous interfacial energy weakly depends on the orientation of the crystalline layer, which is in stark contrast to that in a regular crystalline grain boundary. Additionally, the results showed that the interface controls the yielding of the crystalline-amorphous composites during uniaxial tension either by serving as sources for dislocation nucleation in the crystalline layer or triggering local shear transformation zones in amorphous layer. The critical resolved shear stress required to nucleate the first dislocation is also found to strongly depend on the crystalline orientation. Furthermore, it is found that the interaction between dislocations and shear localization at the crystalline-amorphous interface oriented in different directions can lead to a change in the deformation mode. For instance, while the dislocation and shear banding are aligned to each other in {0 0 1} interface plane, the misorientation angle between these failure mechanisms causing more homogeneous deformation in {1 1 0} and {1 1 1} crystalline-amorphous interfaces. These results should help clarify the failure mechanism of crystalline-amorphous composites under various loading conditions.

Keywords: crystalline-amorphous, composites, orientation, plasticity

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510 Development of a Bacterial Resistant Concrete for Use in Low Cost Kitchen Floors

Authors: S. S. Mahlangu, R. K. K. Mbaya, D. D. Delport, H. Van. Zyl

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The degrading effect due to bacterial growth on the structural integrity of concrete floor surfaces is predictable; this consequently cause development of surface micro cracks in which organisms penetrate through resulting in surface spalling. Hence, the need to develop mix design meeting the requirement of floor surfaces exposed to aggressive agent to improve certain material properties with good workability, extended lifespan and low cost is essential. In this work, tests were performed to examine the microbial activity on kitchen floor surfaces and the effect of adding admixtures. The biochemical test shows the existence of microorganisms (E.coli, Streptococcus) on newly casted structure. Of up to 6% porosity was reduced and improvement on structural integrity was observed upon adding mineral admixtures from the concrete mortar. The SEM result after 84 days of curing specimens, shows that chemical admixtures have significant role to enable retard bacterial penetration and good quality structure is achieved.

Keywords: admixture, organisms, porosity, strength

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509 Investigation of Amorphous Silicon A-Si Thin Films Deposited on Silicon Substrate by Raman Spectroscopy

Authors: Amirouche Hammouda, Nacer Boucherou, Aicha Ziouche, Hayet Boudjellal

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Silicon has excellent physical and electrical properties for optoelectronics industry. It is a promising material with many advantages. On Raman characterization of thin films deposited on crystalline silicon substrate, the signal Raman of amorphous silicon is often disturbed by the Raman signal of the crystalline silicon substrate. In this paper, we propose to characterize thin layers of amorphous silicon deposited on crystalline silicon substrates. The results obtained have shown the possibility to bring out the Raman spectrum of deposited layers by optimizing experimental parameters.

Keywords: raman scattering, amorphous silicon, crystalline silicon, thin films

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508 Characteristics of Different Solar PV Modules under Partial Shading

Authors: Hla Hla Khaing, Yit Jian Liang, Nant Nyein Moe Htay, Jiang Fan

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Partial shadowing is one of the problems that are always faced in terrestrial applications of solar photovoltaic (PV). The effects of partial shadow on the energy yield of conventional mono-crystalline and multi-crystalline PV modules have been researched for a long time. With deployment of new thin-film solar PV modules in the market, it is important to understand the performance of new PV modules operating under the partial shadow in the tropical zone. This paper addresses the impacts of different partial shadowing on the operating characteristics of four different types of solar PV modules that include multi-crystalline, amorphous thin-film, CdTe thin-film and CIGS thin-film PV modules.

Keywords: partial shade, CdTe, CIGS, multi-crystalline (mc-Si), amorphous silicon (a-Si), bypass diode

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507 Properties of Epoxy Composite Reinforced with Amorphous and Crystalline Silica from Rice Husk

Authors: Norul Hisham Hamid, Amir Affan, Ummi Hani Abdullah, Paridah Md. Tahir, Khairul Akmal Azhar, Rahmat Nawai, W. B. H. Wan Sulwani Izzati

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The dimensional stability and static bending properties of epoxy composite reinforced with amorphous and crystalline silica were investigated. The amorphous and crystalline silica was obtained by the precipitation method from carbonisation process of the rice husk at a temperature of 600 °C and 1000 °C for 7 hours respectively. The epoxy resin was mixed with 5%, 10% and 15% concentrations of amorphous and crystalline silica. The mixture was stirred for 10 minutes and cured at 28 °C for 72 hours and oven dried at 80 °C for 72 hours. The scanning electron microscope image showed the silica sized of 10-30nm was obtained. The water absorption and thickness swelling of epoxy/amorphous silica composite was not significantly different with silica concentration ranged from 0.08% to 0.09% and 0.17% to 0.20% respectively. The maximum modulus of rupture (85 MPa) and modulus of elasticity (3284 MPa) were achieved for 10% silica concentration. For epoxy/crystalline silica composite; the water absorption and thickness swelling were also not significantly different with silica concentration, ranged from 0.08% to 0.11% and 0.16% to 0.18% respectively. The maximum modulus of rupture (47.9 MPa) and modulus of elasticity (2760 MPa) were achieved for 10% silica concentration. Overall, the water absorption and thickness swelling were almost identical for epoxy composite made from either amorphous or crystalline silica. The epoxy composite made from amorphous silica was stronger than crystalline silica.

Keywords: epoxy, composite, dimensional stability, static bending, silica

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506 Repurposing of Crystalline Solar PV For Sodium Silicate Production

Authors: Lawal Alkasim, Clement M. Gonah, Zainab S. Aliyu

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This work is focus on recovering silicon form photovoltaic cells and repurposing it toward the use in glass, ceramics or glass ceramics as it is made up of silicon material. Silicon is the main back-bone and responsible for the thermodynamic properties of glass, ceramics and glass ceramics materials. Antireflection silicon is soluble in hot alkali. Successfully the recovered material composed of silicon and silicon nitride of the A.R, with a small amount of silver, Aluminuim, lead & copper in the sunshine of crystalline/non-crystalline silicon solar cell. Aquaregia is used to remove the silver, Aluminium, lead & copper. The recovered material treated with hot alkali highly concentrated to produce sodium silicate, which is an alkali silicate glass (water glass). This type of glass is produced through chemical process, unlike other glasses that are produced through physical process of melting and non-crystalline solidification. It has showed a property of being alkali silicate glass from its solubility in water and insoluble in alcohol. The XRF analysis shows the presence of sodium silicate.

Keywords: unrecyclable solar PV, crystalline silicon, hot conc. alkali, sodium silicate

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505 An Experimental Study on the Influence of Mineral Admixtures on the Fire Resistance of High-Strength Concrete

Authors: Ki-seok Kwon, Dong-woo Ryu, Heung-Youl Kim

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Although high-strength concrete has many advantages over generic concrete at normal temperatures (around 20℃), it undergoes spalling at high temperatures, which constitutes its structurally fatal drawback. In this study, fire resistance tests were conducted for 3 hours in accordance with ASTM E119 on bearing wall specimens which were 3,000mm x 3,000mm x 300mm in dimensions to investigate the influence the type of admixtures would exert on the fire resistance performance of high-strength concrete. Portland cement, blast furnace slag, fly ash and silica fume were used as admixtures, among which 2 or 3 components were combined to make 7 types of mixtures. In 56MPa specimens, the severity of spalling was in order of SF5 > F25 > S65SF5 > S50. Specimen S50 where an admixture consisting of 2 components was added did not undergo spalling. In 70MPa specimens, the severity of spalling was in order of SF5 > F25SF5 > S45SF5 and the result was similar to that observed in 56MPa specimens. Acknowledgements— This study was conducted by the support of the project, “Development of performance-based fire safety design of the building and improvement of fire safety” (18AUDP-B100356-04) which is under the management of Korea Agency for Infrastructure Technology Advancement as part of the urban architecture research project for the Ministry of Land, Infrastructure and Transport, for which we extend our deep thanks.

Keywords: high strength concrete, mineral admixture, fire resistance, social disaster

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504 Chitin Crystalline Phase Transition Promoted by Deep Eutectic Solvent

Authors: Diana G. Ramirez-Wong, Marius Ramirez, Regina Sanchez-Leija, Adriana Rugerio, R. Araceli Mauricio-Sanchez, Martin A. Hernandez-Landaverde, Arturo Carranza, John A. Pojman, Josue D. Mota-Morales, Gabriel Luna-Barcenas

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Chitin films were prepared using alpha-chitin from shrimp shells as raw material and a simple method of precipitation-evaporation. Choline chloride: urea Deep Eutectic Solvent (DES) was used to disperse chitin and compared against hexafluoroisopropanol (HFIP). A careful analysis of the chemical and crystalline structure was followed along the synthesis of the films, revealing crystalline-phase transitions. The full conversion of alpha- to beta-, or alpha- to gamma-chitin structure were detected by XRD and NMR on the films. The synthesis of highly crystalline monophasic gamma-chitin films was achieved using a DES; whereas HFIP helps to promote the beta-phase. These results are encouraging to continue in the study of DES as good processing media to control the final properties of chitin based materials.

Keywords: chitin, deep eutectic solvent, polymorph, phase transformation

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503 Transient Current Investigations in Liquid Crystalline Polyurethane

Authors: Jitendra Kumar Quamara, Sohan Lal, Pushkar Raj

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Electrical conduction behavior of liquid crystalline polyurethane (LCPU) has been investigated under transient conditions in the operating temperature range 50-220°C at various electric fields of 4.35-43.45 kV/cm. The transient currents show the hyperbolic decay character and the decay exponent ∆t (one tenth decay time) dependent on field as well as on temperature. The increase in I0/Is values (where I0 represents the current observed immediately after applying the voltage and Is represents the steady state current) and the variation of mobility at high operating temperatures shows the appearance of mesophase. The origin of transient currents has been attributed to the dipolar nature of carbonyl (C=O) groups in the main chain of LCPU and the trapping charge carriers.

Keywords: electrical conduction, transient current, liquid crystalline polymers, mesophase

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502 Copper Doped P-Type Nickel Oxide Transparent Conducting Oxide Thin Films

Authors: Kai Huang, Assamen Ayalew Ejigu, Mu-Jie Lin, Liang-Chiun Chao

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Nickel oxide and copper-nickel oxide thin films have been successfully deposited by reactive ion beam sputter deposition. Experimental results show that nickel oxide deposited at 300°C is single phase NiO while best crystalline quality is achieved with an O_pf of 0.5. XRD analysis of nickel-copper oxide deposited at 300°C shows a Ni2O3 like crystalline structure at low O_pf while changes to NiO like crystalline structure at high O_pf. EDS analysis shows that nickel-copper oxide deposited at low O_pf is CuxNi2-xO3 with x = 1, while nickel-copper oxide deposited at high O_pf is CuxNi1-xO with x = 0.5, which is supported by Raman analysis. The bandgap of NiO is ~ 3.5 eV regardless of O_pf while the band gap of nickel-copper oxide decreases from 3.2 to 2.3 eV as Opf reaches 1.0.

Keywords: copper, ion beam, NiO, oxide, resistivity, transparent

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501 Epitaxial Growth of Crystalline Polyaniline on Reduced Graphene Oxide

Authors: D. Majumdar, M. Baskey, S. K. Saha

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Graphene has already been identified as a promising material for future carbon based electronics. To develop graphene technology, the fabrication of a high quality P-N junction is a great challenge. In the present work, we have described a simple and general technique to grow single crystalline polyaniline (PANI) films on graphene sheets using in situ polymerization via the oxidation-reduction of aniline monomer and graphene oxide, respectively, to fabricate a high quality P-N junction, which shows diode-like behavior with a remarkably low turn-on voltage (60 mV) and high rectification ratio (1880:1) up to a voltage of 0.2 Volt. The origin of these superior electronic properties is the preferential growth of a highly crystalline PANI film as well as lattice matching between the d-values [~2.48 Å] of graphene and {120} planes of PANI.

Keywords: epitaxial growth, PANI, reduced graphene oxide, rectification ratio

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500 Influences of Thermal Treatments on Dielectric Behaviors of Carbon Nanotubes-BaTiO₃ Hybrids Reinforced Polyvinylidene Fluoride Composites

Authors: Benhui Fan, Fahmi Bedoui, Jinbo Bai

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Incorporated carbon nanotube-BaTiO₃ hybrids (H-CNT-BT) with core-shell structure, a better dispersion of CNTs can be achieved in a semi-crystalline polymeric matrix, polyvinylidene fluoride (PVDF). Carried by BT particles, CNTs are easy to mutually connect which helps to obtain an extremely low percolation threshold (fc). After thermal treatments, the dielectric constants (ε’) of samples further increase which depends on the conditions of thermal treatments such as annealing temperatures, annealing durations and cooling ways. Thus, in order to study more comprehensively about the influence of thermal treatments on composite’s dielectric behaviors, in situ synchrotron X-ray is used to detect re-crystalline behavior of PVDF. Results of wide-angle X-ray diffraction (WAXD) and small-angle X-ray scattering (SAXS) show that after the thermal treatment, the content of β polymorph (the polymorph with the highest ε’ among all the polymorphs of PVDF’s crystalline structure) has increased nearly double times at the interfacial region of CNT-PVDF, and the thickness of amorphous layers (La) in PVDF’s long periods (Lp) has shrunk around 10 Å. The evolution of CNT’s network possibly occurs in the procedure of La shrinkage, where the strong interfacial polarization may be aroused and increases ε’ at low frequency. Moreover, an increase in the thickness of crystalline lamella may also arouse more orientational polarization and improve ε’ at high frequency.

Keywords: dielectric properties, thermal treatments, carbon nanotubes, crystalline structure

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499 Effect of Mineral Admixture on Self-Healing Performance in Concrete

Authors: Young-Cheol Choi, Sung-Won Yoo, Bong Chun Lee, Byoungsun Park, Sang-Hwa Jung

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Cracks in concrete commonly provide the passages of ingresses of aggressive and harmful ions into concrete inside and thus reduce the durability of concrete members. In order to solve this problem, self-healing concrete based on mineral admixture has become a major issue. Self-healing materials are those which have the ability of autonomously repairing some damages or small cracks in concrete structures. Concrete has an inherent healing potential, called natural healing, which can take place in ordinary concrete elements but its power is limited and is not predictable. The main mechanism of self-healing in cracked concrete is the continued hydration of unreacted binder and the crystallization of calcium carbonate. Some mineral admixtures have been found to promote the self-healing of cementitious materials. The aim of this study is to investigate the effect of mineral admixture on the self-healing performances of high strength concrete. The potential capability of self-healing of cementitious materials was evaluated using isothermal conduction calorimeter. The self-healing efficiencies were studied by means of water flow tests on cracked concrete specimens. The results show a different healing behaviour depending on presence of the crystalline admixture.

Keywords: mineral admixture, self-healing, water flow test, crystallization

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498 Crystalline Silicon Optical Whispering Gallery Mode (WGM) Resonators for Precision Measurements

Authors: Igor Bilenko, Artem Shitikov, Michael Gorodetsky

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Optical whispering gallery mode (WGM) resonators combine very high optical quality factor (Q) with small size. Resonators made from low loss crystalline fluorites (CaF2, MgF2) may have Q as high as 1010 that make them unique devices for modern applications including ultrasensitive sensors, frequency control, and precision spectroscopy. While silicon is a promising material transparent from near infrared to terahertz frequencies, fundamental limit for Si WGM quality factor was not reached yet. In our paper, we presented experimental results on the preparation and testing of resonators at 1550 nm wavelength made from crystalline silicon grown and treated by different techniques. Q as high as 3x107 was demonstrated. Future steps need to reach a higher value and possible applications are discussed.

Keywords: optical quality factor, silicon optical losses, silicon optical resonator, whispering gallery modes

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497 Structural Behavior of Lightweight Concrete Made With Scoria Aggregates and Mineral Admixtures

Authors: M. Shannag, A. Charif, S. Naser, F. Faisal, A. Karim

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Structural lightweight concrete is used primarily to reduce the dead-load weight in concrete members such as floors in high-rise buildings and bridge decks. With given materials, it is generally desired to have the highest possible strength/unit weight ratio with the lowest cost of concrete. The work presented herein is part of an ongoing research project that investigates the properties of concrete mixes containing locally available Scoria lightweight aggregates and mineral admixtures. Properties considered included: workability, unit weight, compressive strength, and splitting tensile strength. Test results indicated that developing structural lightweight concretes (SLWC) using locally available Scoria lightweight aggregates and specific blends of silica fume and fly ash seems to be feasible. The stress-strain diagrams plotted for the structural LWC mixes developed in this investigation were comparable to a typical stress-strain diagram for normal weight concrete with relatively larger strain capacity at failure in case of LWC.

Keywords: lightweight concrete, scoria, stress, strain, silica fume, fly ash

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496 Experimental Studies on the Corrosion Effects of the Concrete Made with Tannery Effluent

Authors: K. Nirmalkumar

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An acute water scarcity is prevailing in the dry season in and around Perundurai (Erode district, Tamil Nadu, India) where there are more number of tannery units. Hence an attempt was made to use the effluent from the tannery industry for construction purpose. The mechanical properties such as compressive strength, tensile strength, flexural strength and the special properties such as chloride attack, sulphate attack and chemical attack were studied by casting various concrete specimens in form of cube, cylinders and beams, etc. It was observed that the concrete had some reduction in strength while subjected to chloride attack, sulphate attack and chemical attack. So admixtures were selected and optimized in suitable proportion to counter act the adverse effects and the results were found to be satisfactory. In this research study the corrosion results of specimens prepared by using treated and untreated tannery effluent were compared with the concrete specimens prepared by using potable water. It was observed that by the addition of admixtures, the adverse effects due to the usage of the treated and untreated tannery effluent are counteracted.

Keywords: corrosion, calcium nitrite, concrete, fly ash

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495 Pair Interaction in Transition-Metal Nanoparticles

Authors: Nikolay E. Dubinin

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

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

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494 Controllable Modification of Glass-Crystal Composites with Ion-Exchange Technique

Authors: Andrey A. Lipovskii, Alexey V. Redkov, Vyacheslav V. Rusan, Dmitry K. Tagantsev, Valentina V. Zhurikhina

Abstract:

The presented research is related to the development of recently proposed technique of the formation of composite materials, like optical glass-ceramics, with predetermined structure and properties of the crystalline component. The technique is based on the control of the size and concentration of the crystalline grains using the phenomenon of glass-ceramics decrystallization (vitrification) induced by ion-exchange. This phenomenon was discovered and explained in the beginning of the 2000s, while related theoretical description was given in 2016 only. In general, the developed theory enables one to model the process and optimize the conditions of ion-exchange processing of glass-ceramics, which provide given properties of crystalline component, in particular, profile of the average size of the crystalline grains. The optimization is possible if one knows two dimensionless parameters of the theoretical model. One of them (β) is the value which is directly related to the solubility of crystalline component of the glass-ceramics in the glass matrix, and another (γ) is equal to the ratio of characteristic times of ion-exchange diffusion and crystalline grain dissolution. The presented study is dedicated to the development of experimental technique and simulation which allow determining these parameters. It is shown that these parameters can be deduced from the data on the space distributions of diffusant concentrations and average size of crystalline grains in the glass-ceramics samples subjected to ion-exchange treatment. Measurements at least at two temperatures and two processing times at each temperature are necessary. The composite material used was a silica-based glass-ceramics with crystalline grains of Li2OSiO2. Cubical samples of the glass-ceramics (6x6x6 mm3) underwent the ion exchange process in NaNO3 salt melt at 520 oC (for 16 and 48 h), 540 oC (for 8 and 24 h), 560 oC (for 4 and 12 h), and 580 oC (for 2 and 8 h). The ion exchange processing resulted in the glass-ceramics vitrification in the subsurface layers where ion-exchange diffusion took place. Slabs about 1 mm thick were cut from the central part of the samples and their big facets were polished. These slabs were used to find profiles of diffusant concentrations and average size of the crystalline grains. The concentration profiles were determined from refractive index profiles measured with Max-Zender interferometer, and profiles of the average size of the crystalline grains were determined with micro-Raman spectroscopy. Numerical simulation were based on the developed theoretical model of the glass-ceramics decrystallization induced by ion exchange. The simulation of the processes was carried out for different values of β and γ parameters under all above-mentioned ion exchange conditions. As a result, the temperature dependences of the parameters, which provided a reliable coincidence of the simulation and experimental data, were found. This ensured the adequate modeling of the process of the glass-ceramics decrystallization in 520-580 oC temperature interval. Developed approach provides a powerful tool for fine tuning of the glass-ceramics structure, namely, concentration and average size of crystalline grains.

Keywords: diffusion, glass-ceramics, ion exchange, vitrification

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493 Understanding the Role of Alkali-Free Accelerators in Wet-Mix Shotcrete

Authors: Ezgi Yurdakul, Klaus-Alexander Rieder, Richard Sibbick

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Most of the shotcrete projects require compliance with meeting a specified early-age strength target (e.g., reaching 1 MPa in 1 hour) that is selected based on the underground conditions. To meet the desired early-age performance characteristics, accelerators are commonly used as they increase early-age strength development rate and accelerate the setting thereby reducing sagging and rebound. The selection of accelerator type and its dosage is made by the setting time and strength required for the shotcrete application. While alkaline and alkali-free accelerators are the two main types used in wet-mix shotcrete; alkali-free admixtures increasingly substitute the alkaline accelerators to improve the performance and working safety. This paper aims to evaluate the impact of alkali-free accelerators in wet-mix on various tests including set time, early and later-age compressive strength, boiled absorption, and electrical resistivity. Furthermore, the comparison between accelerated and non-accelerated samples will be made to demonstrate the interaction between cement and accelerators. Scanning electron microscopy (SEM), fluorescent resin impregnated thin section and cut and polished surface images will be used to understand the microstructure characterization of mixes in the presence of accelerators.

Keywords: accelerators, chemical admixtures, shotcrete, sprayed concrete

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492 Numerical Simulation of Fracturing Behaviour of Pre-Cracked Crystalline Rock Using a Cohesive Grain-Based Distinct Element Model

Authors: Mahdi Saadat, Abbas Taheri

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Understanding the cracking response of crystalline rocks at mineralogical scale is of great importance during the design procedure of mining structures. A grain-based distinct element model (GBM) is employed to numerically study the cracking response of Barre granite at micro- and macro-scales. The GBM framework is augmented with a proposed distinct element-based cohesive model to reproduce the micro-cracking response of the inter- and intra-grain contacts. The cohesive GBM framework is implemented in PFC2D distinct element codes. The microstructural properties of Barre granite are imported in PFC2D to generate synthetic specimens. The microproperties of the model is calibrated against the laboratory uniaxial compressive and Brazilian split tensile tests. The calibrated model is then used to simulate the fracturing behaviour of pre-cracked Barre granite with different flaw configurations. The numerical results of the proposed model demonstrate a good agreement with the experimental counterparts. The GBM framework proposed thus appears promising for further investigation of the influence of grain microstructure and mineralogical properties on the cracking behaviour of crystalline rocks.

Keywords: discrete element modelling, cohesive grain-based model, crystalline rock, fracturing behavior

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491 Ab Initio Studies of Organic Electrodes for Li and Na Ion Batteries Based on Tetracyanoethylene

Authors: Yingqian Chen, Sergei Manzhos

Abstract:

Organic electrodes are a way to achieve high rate (high power) and environment-friendly batteries. We present a computational density functional theory study of Li and Na storage in tetracyanoethylene based molecular and crystalline materials. Up to five Li and Na atoms can be stored on TCNE chemisorbed on doped graphene (corresponding to ~1000 mAh/gTCNE), with binding energies stronger than cohesive energies of the Li and Na metals by 1-2 eV. TCNE has been experimentally shown to form a crystalline material with Li with stoichiometry Li-TCNE. We confirm this computationally and also predict that a similar crystal based of Na-TCNE is also stable. These crystalline materials have well defined channels for facile Li or Na ion insertion and diffusion. Specifically, Li and Na binding energies in Li-TCNE and Na-TCNE crystals are about 1.5 eV and stronger than the cohesive energy of Li and Na, respectively. TCNE immobilized on conducting graphene-based substrates and Li/Na-TCNE crystals could therefore become efficient anode materials for organic Li and Na ion batteries, with which it should also be possible to avoid reduction of common battery electrolytes.

Keywords: organic ion batteries, tetracyanoethylene, cohesive energies, electrolytes

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490 Liquid-Liquid Transitions in Strontium Tellurite Melts

Authors: Rajinder Kaur, Atul Khanna

Abstract:

Transparent glass-ceramic and crystalline samples of the system: xSrO-(100-x)TeO2; x = 7.5 and 8.5 mol% were prepared by quenching the melts in the temperature range of 700 to 950oC. A very interesting effect of the temperature on the glass-forming ability (GFA) of strontium tellurite melts is observed,and it is found that the melts produce transparent glass-ceramics when it is solidified from lower temperatures in the range of 700-750oC, however, when the melts are cooled from higher temperatures in the range of 850-950oC, the GFA is significantly reduced andanti-glass and/or crystalline phases are produced on solidification.The effect of temperature on GFA of strontium tellurite melts is attributed to short-range structural transformations: TeO₄TeO₃ which procceds towards the right side with an increrase in temperature. This isomerization reaction lowers the melt viscosity and enhances the crystallization tedendency. It is concluded that the high-temperature strontium tellurite meltsfreeze faster into crystalline phases as compared to the melts at a lower temperature; the latter supercooland solidify into glassy phases.

Keywords: anti-glasss, ceramic, supercool liquid, raman spectroscopy

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489 Influence of Annealing on the Mechanical αc-Relaxation of Isotactic-Polypropylene: A Study from the Intermediate Phase Perspective

Authors: Baobao Chang, Konrad Schneider, Vogel Roland, Gert Heinrich

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In this work, the influence of annealing on the mechanical αc-relaxation behavior of isotactic polypropylene (iPP) was investigated. The results suggest that the mechanical αc-relaxation behavior depends strongly on the confinement force on the polymer chains in the intermediate phase and the thickness of the intermediate phase. After quenching at 10°C, abundant crystallites with a wide size distribution are formed. The polymer chains in the intermediate phase are constrained by the crystallites, giving rise to one broad αc-relaxation peak. With an annealing temperature between 60°C~105°C, imperfect lamellae melting releases part of the constraint force, which reduces the conformational ordering of the polymer chains neighboring the amorphous phase. Consequently, two separate αc-relaxation peaks could be observed which are labeled as αc1-relaxation and αc2-relaxation. αc1-relaxation and αc2-relaxation describe the relaxation behavior of polymer chains in the region close to the amorphous phase and the crystalline phase, respectively. Both relaxation peaks shift to a higher temperature as annealing temperature increases. With an annealing temperature higher than 105°C, the new crystalline phase is formed in the intermediate phase, which enhances the constraint force on the polymer chains. αc1-relaxation peak is broadened obviously and its position shifts to a higher temperature as annealing temperature increases. Moreover, αc2-relaxation is undetectable because that the polymer chains in the region between the initial crystalline phase and the newly formed crystalline phase are strongly confined.

Keywords: annealing, αc-relaxation, isotactic-polypropylene, intermediate phase

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488 Enhanced Stability of Piezoelectric Crystalline Phase of Poly(Vinylidene Fluoride) (PVDF) and Its Copolymer upon Epitaxial Relationships

Authors: Devi Eka Septiyani Arifin, Jrjeng Ruan

Abstract:

As an approach to manipulate the performance of polymer thin film, epitaxy crystallization within polymer blends of poly(vinylidene fluoride) (PVDF) and its copolymer poly(vinylidene fluoride-trifluoroethylene) P(VDF-TrFE) was studied in this research, which involves the competition between phase separation and crystal growth of constitutive semicrystalline polymers. The unique piezoelectric feature of poly(vinylidene fluoride) crystalline phase is derived from the packing of molecular chains in all-trans conformation, which spatially arranges all the substituted fluorene atoms on one side of the molecular chain and hydrogen atoms on the other side. Therefore, the net dipole moment is induced across the lateral packing of molecular chains. Nevertheless, due to the mutual repulsion among fluorene atoms, this all-trans molecular conformation is not stable, and ready to change above curie temperature, where thermal energy is sufficient to cause segmental rotation. This research attempts to explore whether the epitaxial interactions between piezoelectric crystals and crystal lattice of hexamethylbenzene (HMB) crystalline platelet is able to stabilize this metastable all-trans molecular conformation or not. As an aromatic crystalline compound, the melt of HMB was surprisingly found able to dissolve the poly(vinylidene fluoride), resulting in homogeneous eutectic solution. Thus, after quenching this binary eutectic mixture to room temperature, subsequent heating or annealing processes were designed to explore the involve phase separation and crystallization behavior. The phase transition behaviors were observed in-situ by X-ray diffraction and differential scanning calorimetry (DSC). The molecular packing was observed via transmission electron microscope (TEM) and the principles of electron diffraction were brought to study the internal crystal structure epitaxially developed within thin films. Obtained results clearly indicated the occurrence of heteroepitaxy of PVDF/PVDF-TrFE on HMB crystalline platelet. Both the concentration of poly(vinylidene fluoride) and the mixing ratios of these two constitutive polymers have been adopted as the influential factors for studying the competition between the epitaxial crystallization of PVDF and P(VDF-TrFE) on HMB crystalline. Furthermore, the involved epitaxial relationship is to be deciphered and studied as a potential factor capable of guiding the wide spread of piezoelectric crystalline form.

Keywords: epitaxy, crystallization, crystalline platelet, thin film and mixing ratio

Procedia PDF Downloads 193
487 Effectiveness of Crystallization Coating Materials on Chloride Ions Ingress in Concrete

Authors: Mona Elsalamawy, Ashraf Ragab Mohamed, Abdellatif Elsayed Abosen

Abstract:

This paper aims to evaluate the effectiveness of different crystalline coating materials concerning of chloride ions penetration. The concrete ages at the coating installation and its moisture conditions were addressed; where, these two factors may play a dominant role for the effectiveness of the used materials. Rapid chloride ions penetration test (RCPT) was conducted at different ages and moisture conditions according to the relevant standard. In addition, the contaminated area and the penetration depth of the chloride ions were investigated immediately after the RCPT test using chemical identifier, 0.1 M silver nitrate AgNO3 solution. Results have shown that, the very low chloride ions penetrability, for the studied crystallization materials, were investigated only with the old age concrete (G1). The significant reduction in chloride ions’ penetrability was illustrated after 7 days of installing the crystalline coating layers. Using imageJ is more reliable to describe the contaminated area of chloride ions, where the distribution of aggregate and heterogeneous of cement mortar was considered in the images analysis.

Keywords: chloride permeability, contaminated area, crystalline waterproofing materials, RCPT, XRD

Procedia PDF Downloads 215