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Materials, Volume 12, Issue 6 (March-2 2019) – 161 articles

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Cover Story (view full-size image) The Luminescent Solar Concentrator (LSC) is a technological device that can revolutionize the way [...] Read more.
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Open AccessArticle
Investigations of Machining Characteristics in the Upgraded MQL-Assisted Turning of Pure Titanium Alloys Using Evolutionary Algorithms
Materials 2019, 12(6), 999; https://doi.org/10.3390/ma12060999 - 26 Mar 2019
Cited by 17 | Viewed by 1254
Abstract
Environmental protection is the major concern of any form of manufacturing industry today. As focus has shifted towards sustainable cooling strategies, minimum quantity lubrication (MQL) has proven its usefulness. The current survey intends to make the MQL strategy more effective while improving its [...] Read more.
Environmental protection is the major concern of any form of manufacturing industry today. As focus has shifted towards sustainable cooling strategies, minimum quantity lubrication (MQL) has proven its usefulness. The current survey intends to make the MQL strategy more effective while improving its performance. A Ranque–Hilsch vortex tube (RHVT) was implemented into the MQL process in order to enhance the performance of the manufacturing process. The RHVT is a device that allows for separating the hot and cold air within the compressed air flows that come tangentially into the vortex chamber through the inlet nozzles. Turning tests with a unique combination of cooling technique were performed on titanium (Grade 2), where the effectiveness of the RHVT was evaluated. The surface quality measurements, forces values, and tool wear were carefully investigated. A combination of analysis of variance (ANOVA) and evolutionary techniques (particle swarm optimization (PSO), bacteria foraging optimization (BFO), and teaching learning-based optimization (TLBO)) was brought into use in order to analyze the influence of the process parameters. In the end, an appropriate correlation between PSO, BFO, and TLBO was investigated. It was shown that RHVT improved the results by nearly 15% for all of the responses, while the TLBO technique was found to be the best optimization technique, with an average time of 1.09 s and a success rate of 90%. Full article
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Open AccessArticle
Lifing the Effects of Crystallographic Orientation on the Thermo-Mechanical Fatigue Behaviour of a Single-Crystal Superalloy
Materials 2019, 12(6), 998; https://doi.org/10.3390/ma12060998 - 26 Mar 2019
Viewed by 1008
Abstract
Thermo-mechanical fatigue (TMF) is a complex damage mechanism that is considered to be one of the most dominant life limiting factors in hot-section components. Turbine blades and nozzle guide vanes are particularly susceptible to this form of material degradation, which result from the [...] Read more.
Thermo-mechanical fatigue (TMF) is a complex damage mechanism that is considered to be one of the most dominant life limiting factors in hot-section components. Turbine blades and nozzle guide vanes are particularly susceptible to this form of material degradation, which result from the simultaneous cycling of mechanical and thermal loads. The realisation of TMF conditions in a laboratory environment is a significant challenge for design engineers and materials scientists. Effort has been made to replicate the in-service environments of single crystal (SX) materials where a lifing methodology that encompasses all of the arduous conditions and interactions present through a typical TMF cycle has been proposed. Traditional procedures for the estimation of TMF life typically adopt empirical correlative approaches with isothermal low cycle fatigue data. However, these methods are largely restricted to polycrystalline alloys, and a more innovative approach is now required for single-crystal superalloys, to accommodate the alternative crystallographic orientations in which these alloys can be solidified. Full article
(This article belongs to the Special Issue Advances in Structural Metallic Systems for Gas Turbines)
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Open AccessArticle
Seismic Behavior of Superelastic Shape Memory Alloy Spring in Base Isolation System of Multi-Story Steel Frame
Materials 2019, 12(6), 997; https://doi.org/10.3390/ma12060997 - 26 Mar 2019
Cited by 2 | Viewed by 1179
Abstract
Owing to excellent re-centering capability and good damping behavior, superelastic shape memory alloys (SMAs) are emerging as a potential new material to enhance the seismic resilience of civil structures. This paper focuses on using base isolation with SMA device for isolated structures. SMA [...] Read more.
Owing to excellent re-centering capability and good damping behavior, superelastic shape memory alloys (SMAs) are emerging as a potential new material to enhance the seismic resilience of civil structures. This paper focuses on using base isolation with SMA device for isolated structures. SMA springs are deemed to be promising candidate as the damper in the base isolation system, due to the compact form, damping contribution, restoring capability and flexible stiffness. This paper reported the concept of an innovative spring which is made of superelastic SMA wire. Then cyclic loading tests were carried out to evaluate the interested cyclic properties. Parametric analyses based on finite element simulations were conducted to reveal the versatile performance of SMA springs. To further examine its seismic behavior in the base isolation system, the SMA spring was later installed at the isolation level of a multi-story steel frame, based on the finite element model built in the earthquake engineering simulation platform OpenSees. An ordinary elastic spring is included for comparison to highlight the features of SMA springs. Both isolated frames were subjected to real earthquakes. The comparisons indicated that using SMA spring is more effective in controlling maximum and residual deformation for the protected superstructures. Thus, this paper well demonstrated the feasibility and merits of using SMA springs in the isolated frames. Full article
(This article belongs to the Special Issue Computational Design of Complex Structural Alloys)
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Open AccessArticle
Ternary Blended Binder for Production of a Novel Type of Lightweight Repair Mortar
Materials 2019, 12(6), 996; https://doi.org/10.3390/ma12060996 - 26 Mar 2019
Cited by 7 | Viewed by 1045
Abstract
The goal of the paper was development and testing of a novel type of ternary blended binder based on lime hydrate, metakaolin, and biomass ash that was studied as a binding material for production of lightweight mortar for renovation purposes. The biomass ash [...] Read more.
The goal of the paper was development and testing of a novel type of ternary blended binder based on lime hydrate, metakaolin, and biomass ash that was studied as a binding material for production of lightweight mortar for renovation purposes. The biomass ash used as one of binder components was coming from wood chips ash combustion in a biomass heating plant. The raw ash was mechanically activated by grinding. In mortar composition, wood chips ash and metakaolin were used as partial substitutes of lime hydrate. Silica sand of particle size fraction 0–2 mm was mixed from three normalized sand fractions. For the evaluation of the effect of biomass ash and metakaolin incorporation in mortar mix on material properties, reference lime mortar was tested as well. Among the basic physical characterization of biomass ash, metakaolin and lime hydrate, specific density, specific surface, and particle size distribution were assessed. Their chemical composition was measured by X-Ray fluorescence analysis (XRF), morphology was examined using scanning electron microscopy (SEM), elements mapping was performed using energy dispersive spectroscopy (EDS) analyser, and mineralogical composition was tested using X-Ray diffraction (XRD). For the developed mortars, set of structural, mechanical, hygric, and thermal properties was assessed. The mortars with ternary blended binder exhibited improved mechanical resistance, lower thermal conductivity, and increased water vapor permeability compared to the reference lime mortar. Based on good functional performance of the produced mortar, the tested biomass ash could potentially represent a novel sustainable alternative to other pozzolans commonly used in construction industry. Moreover, reuse of biomass ash in production of building materials is highly beneficial both from the environmental and economic reasons especially taking into account circular economy principles. The ternary blended binder examined in this paper can find use in both rendering and walling repair mortars meeting the requirements of culture heritage authorities and technical standards. Full article
(This article belongs to the Special Issue Sustainability in Construction and Building Materials)
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Open AccessArticle
Evaluating the Quality Surface Performance of Additive Manufacturing Systems: Methodology and a Material Jetting Case Study
Materials 2019, 12(6), 995; https://doi.org/10.3390/ma12060995 - 26 Mar 2019
Cited by 9 | Viewed by 1400
Abstract
The performance characterization of the manufacturing processes for additive manufacturing (AM) systems is a significant task for their standardization and implementation in the industry. Also, there is a large diversity of materials used in different AM processes. In the present paper, a methodology [...] Read more.
The performance characterization of the manufacturing processes for additive manufacturing (AM) systems is a significant task for their standardization and implementation in the industry. Also, there is a large diversity of materials used in different AM processes. In the present paper, a methodology is proposed to evaluate, in different directions, the performance of an AM process and material characterization in terms of surface quality. This methodology consists of eight steps, based on a new surface inspection artifact and basic artifact orientations. The proposed artifact with several design configurations fits different AM systems sizes and meets the needs of customers. The effects of main factors on the surface roughness of up-facing platens of the artifacts are investigated using the statistical design of experiments. The proposed methodology is validated by a case study focused on PolyJet material jetting technology. Samples are manufactured of photopolymer resins and post-processed. Three factors (i.e., artifact orientation, platen orientation, and finish type) are considered for the investigation. The case study results show that the platen orientation, finish type, and their interaction have a significant influence on the surface roughness (Ra). The best Ra roughness results were obtained for the glossy finish type in the range of 0.5–4 μm. Full article
(This article belongs to the Special Issue New Materials and Approaches in Polymer Additive Manufacturing)
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Open AccessArticle
3D-Printed Polyester-Based Prototypes for Cosmetic Applications—Future Directions at the Forensic Engineering of Advanced Polymeric Materials
Materials 2019, 12(6), 994; https://doi.org/10.3390/ma12060994 - 26 Mar 2019
Cited by 3 | Viewed by 918
Abstract
Knowledge of degradation and impairment phenomena of (bio)degradable polymeric materials under operating conditions, and thus the selection of test procedures and prediction of their behavior designates the scope and capabilities as well as possible limitations of both: the preparation of the final product [...] Read more.
Knowledge of degradation and impairment phenomena of (bio)degradable polymeric materials under operating conditions, and thus the selection of test procedures and prediction of their behavior designates the scope and capabilities as well as possible limitations of both: the preparation of the final product and its durability. The main novelty and objective of this research was to determine the degradation pathways during testing of polylactide and polylactide/polyhydroxyalkanoate materials made with three-dimensional printing and the development of a new strategy for the comprehensive characterization of such complex systems including behavior during waste disposal. Prototype objects were subjected to tests for damage evolution performed under simulating operating conditions. The reference samples and the tested items were characterized by gel permeation chromatography and differential scanning calorimetry to determine changes in material properties. The studies showed that: polyhydroxyalkanoate component during accelerated aging and degradation in environments rich in microorganisms accelerated the degradation of the material; paraffin accelerates polylactide degradation and slows degradation of polyhydroxyalkanoate-based material; under the influence of an environment rich in enzymes, paraffin contamination accelerates biodegradation; under the influence of natural conditions, paraffin contamination slowed degradation; the processing conditions, in particular the printing orientation of individual parts of the container, influenced the material properties in its various regions, affecting the rate of degradation of individual parts. Full article
(This article belongs to the Section Corrosion and Materials Degradation)
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Open AccessArticle
Microstructure and Thermal Insulation Property of Silica Composite Aerogel
Materials 2019, 12(6), 993; https://doi.org/10.3390/ma12060993 - 26 Mar 2019
Cited by 6 | Viewed by 1289
Abstract
Tetraethyl orthosilicate was selected as a matrix of heat insulating materials among three silanes, and an anti-infrared radiation fiber was chosen as a reinforcement for silica aerogel insulation composite. The silica aerogel was combined well and evenly distributed in the anti-infrared radiation fiber. [...] Read more.
Tetraethyl orthosilicate was selected as a matrix of heat insulating materials among three silanes, and an anti-infrared radiation fiber was chosen as a reinforcement for silica aerogel insulation composite. The silica aerogel was combined well and evenly distributed in the anti-infrared radiation fiber. The heat insulation effect was improved with the increase in thickness of the aerogel insulation material, as determined by the self-made aerospace insulation material insulation performance test equipment. The 15 mm and 30 mm thick thermal insulation material heated at 250 °C for 3 h, the temperatures at the cold surface were about 80 °C and 60 °C, respectively, and the temperatures at 150 mm above the cold surface were less than 60 °C and 50 °C, respectively. The silica aerogel composites with various thicknesses showed good thermal insulation stability. The silica insulation composite with a thickness of 15 mm exhibited good heat insulation performance, meets the thermal insulation requirements of general equipment compartments under low-temperature and long-term environmental conditions. The thermal conductivity of prepared silica aerogel composite was 0.0191 W·m−1·k−1 at room temperature and 0.0489 W·m−1·k−1 at 500 °C. Full article
(This article belongs to the Special Issue Silicon Nanoparticles: Synthesis and Application)
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Open AccessArticle
Experimental Study on Mechanical Characteristics and Fracture Patterns of Unfrozen/Freezing Saturated Coal and Sandstone
Materials 2019, 12(6), 992; https://doi.org/10.3390/ma12060992 - 26 Mar 2019
Cited by 1 | Viewed by 829
Abstract
The thermomechanical behavior of coal and sandstone during excavation using the freezing method is a new challenge for coal mining and geotechnical engineering. In this paper, the influence of temperature on the mechanical characteristics and fracture patterns of two types of saturated rocks [...] Read more.
The thermomechanical behavior of coal and sandstone during excavation using the freezing method is a new challenge for coal mining and geotechnical engineering. In this paper, the influence of temperature on the mechanical characteristics and fracture patterns of two types of saturated rocks (coal and sandstone) were investigated. A series of laboratory tests, including the Brazilian tensile strength (BTS), uniaxial compressive strength (UCS), and triaxial compressive strength (TCS), were conducted at temperatures of 20, −4, −10, and −15 °C. The results indicated a significant increase in their strength when the temperature was reduced from 20 to −15 °C, especially near the phase-transition point. Then, a theoretical model was proposed to predict rock strength change with temperature, based on the phase-transition theory. To evaluate this model, the predicted results were compared with experimental data, where a good correlation was identified. In addition, four failure patterns were observed in indirect tensile tests (i.e., layer activation, central fracture, noncentral fracture, and central and layer activation), and three types of failure modes in compression tests (i.e., axial splitting, shearing along a single plane, multiple fracturing). The evolution of the rock damage was divided into four stages: Crack closure, fracture initiation, critical energy release, and rupture. These results could be applied to evaluate and predict the mechanical behavior of saturated coal and sandstone during excavation using the freezing method. Full article
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Open AccessFeature PaperArticle
Laser Polishing of Additive Manufactured 316L Stainless Steel Synthesized by Selective Laser Melting
Materials 2019, 12(6), 991; https://doi.org/10.3390/ma12060991 - 26 Mar 2019
Cited by 7 | Viewed by 1297
Abstract
One of the established limitations of metal additive manufacturing (AM) methods, such as selective laser melting (SLM), is the resulting rough surface finish. Laser polishing is one method that can be used to achieve an improved surface finish on AM printed parts. This [...] Read more.
One of the established limitations of metal additive manufacturing (AM) methods, such as selective laser melting (SLM), is the resulting rough surface finish. Laser polishing is one method that can be used to achieve an improved surface finish on AM printed parts. This study is focused on the laser surface polishing of AM parts using CO2 laser beam irradiation. Despite the fact that several researchers have investigated the traditional abrasive polishing method, there is still a lack of information reporting on the laser surface polishing of metal parts. In this study, AM 316L stainless steel cylindrical samples were polished using CO2 laser beam irradiation in continuous wave (CW) working mode. Two design of experiment models were developed for the optimization of the input processing parameters by statistical analysis of their effect on the resulting roughness. The processing parameters investigated were the laser beam power, the rotational speed of the sample, the number of laser scan passes, the laser beam focal position, and the percentage overlap of the laser tracks between consecutive passes. The characterization of the measured roughness and the modified layer microstructure was carried out using 3D optical and scanning electron microscopy (SEM). A maximum reduction of the roughness from 10.4 to 2.7 µm was achieved and no significant change in the microstructure phase type and micro-hardness was observed. Full article
(This article belongs to the Special Issue Advanced Technology for Materials Synthesis and Processing)
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Open AccessArticle
Thermal, Mechanical, Viscoelastic and Morphological Properties of Poly(lactic acid) based Biocomposites with Potato Pulp Powder Treated with Waxes
Materials 2019, 12(6), 990; https://doi.org/10.3390/ma12060990 - 26 Mar 2019
Cited by 7 | Viewed by 934
Abstract
The thermal, mechanical and viscoelastic properties of biocomposites of poly(lactic acid) (PLA) with 20 wt.% of potato pulp powder were investigated. The potato pulp powder utilized is a byproduct from the production and extraction of starch. The results showed that the potato pulp [...] Read more.
The thermal, mechanical and viscoelastic properties of biocomposites of poly(lactic acid) (PLA) with 20 wt.% of potato pulp powder were investigated. The potato pulp powder utilized is a byproduct from the production and extraction of starch. The results showed that the potato pulp powder does not act as reinforcement, but as filler for PLA, due to an unfavorable aspect ratio and the irregular shape of the particles. In order to improve the mechanical response of the PLA/potato pulp powder biocomposites, surface treatment of the potato pulp particles with bio-based and petroleum-based waxes was investigated. This treatment was found to improve the properties of the biocomposites, enhancing the adhesion between the PLA based polymeric matrix and the potato pulp fibers. The best result is obtained with a petroleum-based wax, but also the bio-based waxes lead to good mechanical properties of the biocomposite. Thus, the addition to PLA of potato pulp powder, treated with waxes, appears a method able to (i) utilize and valorize an abundant agro-food biomass such as potato pulp, according to the principles of circular economy, (ii) favor the production of articles with properties valuable for practical applications, and (iii) reduce the cost of the final products, considering the relatively high cost of PLA. Full article
(This article belongs to the Special Issue Advances in Natural Fibers and Polymers)
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Open AccessArticle
Self-Flushing in EDM Drilling of Ti6Al4V Using Rotating Shaped Electrodes
Materials 2019, 12(6), 989; https://doi.org/10.3390/ma12060989 - 26 Mar 2019
Cited by 8 | Viewed by 1500
Abstract
This article reports an experimental investigation of the efficacy of self-flushing in the Electrical Discharge Machining (EDM) process in terms of tool wear rate (TWR), hole taper angle and material removal rate (MRR). In addition to a plain cylindrical shape, electrodes of different [...] Read more.
This article reports an experimental investigation of the efficacy of self-flushing in the Electrical Discharge Machining (EDM) process in terms of tool wear rate (TWR), hole taper angle and material removal rate (MRR). In addition to a plain cylindrical shape, electrodes of different cross sections (slotted cylindrical, sharp-cornered triangular, round-cornered triangular, sharp-cornered square, round-cornered square, sharp-cornered hexagonal and round-cornered hexagonal) were designed as a means of inducing debris egress and then fabricated in graphite. EDM drilling trials using the rotating shaped electrodes were carried out on a Ti6Al4V workpiece. The results revealed that, although a low TWR and minimum hole taper angle were achieved using a plain cylindrical electrode, the usage of rotating shaped electrodes provided self-flushing of the dielectric fluid during the EDM process, which led to an improvement in MRR compared to that achieved with a plain cylindrical electrode. Besides, in general, the electrodes with rounded corners are associated with a lower TWR, a lower hole taper angle and a higher MRR when compared to the electrodes with sharp corners. Considering these results, it was concluded that different process attributes, i.e., TWR, hole taper angle and MRR, are all greatly affected by the electrode shape, and thus, the proper selection of the electrode shape is a precondition to attain a specific response from the EDM process. Full article
(This article belongs to the Section Manufacturing Processes and Systems)
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Open AccessArticle
Aging Mechanism of a Diatomite-Modified Asphalt Binder Using Fourier-Transform Infrared (FTIR) Spectroscopy Analysis
Materials 2019, 12(6), 988; https://doi.org/10.3390/ma12060988 - 26 Mar 2019
Cited by 5 | Viewed by 896
Abstract
In this paper, Fourier-transform infrared (FTIR) spectroscopy was used to evaluate the effects of diatomite on aging properties of an asphalt binder. The modified asphalts included 5%, 10%, and 15% diatomite, and were prepared in the laboratory. The changes in functional groups of [...] Read more.
In this paper, Fourier-transform infrared (FTIR) spectroscopy was used to evaluate the effects of diatomite on aging properties of an asphalt binder. The modified asphalts included 5%, 10%, and 15% diatomite, and were prepared in the laboratory. The changes in functional groups of asphalt were employed to investigate the aging mechanisms of the modified and control asphalts. Effects of diatomite on the anti-aging properties of asphalt were analyzed via the changes in intensity of the absorption peaks. Results showed that there were no new functional groups generated after diatomite mixing with asphalt. This indicated that the process of diatomite modification was just physical mixing. Furthermore, parts of saturates and aromatics were volatilized in the aging process of modified asphalt. Polar molecules reacted with oxygen in aging. Meanwhile, carbonyl (C=O) and sulfoxide (S=O) were also generated. The aging resistance of modified asphalt was the best when the diatomite content was 10%. The work of this paper may provide a new perspective to evaluate asphalt aging. Full article
(This article belongs to the Special Issue Sustainability in Construction and Building Materials)
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Open AccessArticle
An Investigation on Microstructure, Texture and Mechanical Properties of AZ80 Mg Alloy Processed by Annular Channel Angular Extrusion
Materials 2019, 12(6), 1001; https://doi.org/10.3390/ma12061001 - 26 Mar 2019
Cited by 2 | Viewed by 973
Abstract
Annular channel angular extrusion has been recently developed as a new single-pass severe plastic deformation method suitable for producing large size cup-shaped parts from cylindrical billets. In this study, the novel technology was successfully applied to commercial AZ80 Mg alloy at 300 °C, [...] Read more.
Annular channel angular extrusion has been recently developed as a new single-pass severe plastic deformation method suitable for producing large size cup-shaped parts from cylindrical billets. In this study, the novel technology was successfully applied to commercial AZ80 Mg alloy at 300 °C, and microstructure, texture evolution, and mechanical properties were investigated. Due to severe shear deformation, the initial microstructure, including the coarse grains and large eutectic β-phases, was greatly refined. The strong basal texture formed during the initial deformation stage was modified into a weak tilted dynamic texture. During the deformation process, fine β-particles separated from eutectic phases effectively hindered the grain boundary migration and rotation, enhancing the grain refinement and texture weakening. More than 63% of the microhardness increase was achieved in this extruded part. Also, tensile tests showed the yield strength and elongation in both directions (transverse and longitudinal) of extruded part were improved more than 2.5 times, and the ultimate tensile strength was improved more than 2 times, compared to the initial material state. The improved material properties were mainly attributed to microstructure (grain and phase) refinement and texture weakening. It was demonstrated that the annular channel angular extrusion process can be considered as a novel and effective single-pass severe plastic deformation method. Full article
(This article belongs to the Special Issue Alloy and Process Development of Light Metals)
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Open AccessArticle
Preparation, Characterization, and Stability Evaluation of Taste-Masking Lacosamide Microparticles
Materials 2019, 12(6), 1000; https://doi.org/10.3390/ma12061000 - 26 Mar 2019
Cited by 1 | Viewed by 996
Abstract
Lacosamide (LCM) is a third-generation antiepileptic drug. Selective action of the drug on voltage-gated sodium channels reduces side effects. Oral administration of LCM shows good pharmacokinetic profile. However, the bitter taste of LCM is a barrier to the development of oral formulations. In [...] Read more.
Lacosamide (LCM) is a third-generation antiepileptic drug. Selective action of the drug on voltage-gated sodium channels reduces side effects. Oral administration of LCM shows good pharmacokinetic profile. However, the bitter taste of LCM is a barrier to the development of oral formulations. In this study, we aimed to prepare encapsulated LCM microparticles (MPs) for masking its bitter taste. Encapsulated LCM MPs were prepared with Eudragit® E100 (E100), a pH-dependent polymer, by spray drying. Three formulations comprising different ratios of LCM and E100 (3:1, 1:1, and 1:3) were prepared. Physicochemical tests showed that LCM was in an amorphous state in the prepared formulations, and they were not miscible. LCM-E100 (1:3) had a rough surface due to surface enrichment of LCM. Increased E100 ratio in LCM-E100 MPs resulted in better taste-making effectiveness: LCM-E100 (1:1) and LCM-E100 (1:3) showed good taste-masking effectiveness, while LCM-E100 (3:1) could not mask the bitter taste of LCM. Dissolution results of the prepared formulations showed good correlation with taste-masking effectiveness. Nevertheless, high E100 ratio reduced the stability of the prepared formulations. Especially the difference in initial dissolution profile observed for LCM-E100 (1:3) indicated rapid reduction in taste-masking effectiveness and surface recrystallization. Therefore, LCM-E100 formulation in the ratio of 1:1 was selected as the best formulation with good taste-masking effectiveness and stability. Full article
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Open AccessArticle
Corrosion Resistance of Stainless Steels Intended to Come into Direct or Prolonged Contact with the Skin
Materials 2019, 12(6), 987; https://doi.org/10.3390/ma12060987 - 25 Mar 2019
Cited by 3 | Viewed by 850
Abstract
The biocompatibility of materials in contact with a living tissue becomes a puzzle in the overall picture of assessing the toxic effects of chemicals that come into contact with us. Allergic reactions to substances are a significant and growing health problem affecting large [...] Read more.
The biocompatibility of materials in contact with a living tissue becomes a puzzle in the overall picture of assessing the toxic effects of chemicals that come into contact with us. Allergic reactions to substances are a significant and growing health problem affecting large parts of the population in Europe. Wristwatches are objects worn in prolonged contact with the skin, being subject to localized corrosion, especially pitting and crevice types, in sulfide-chloride medium, and high wear in the bracelets joints. Watches of medium quality are usually made of stainless steels. The X2 CrNiMo 17-12-2 316L grade as well as X1 CrNiMo 20-25-5 Cu 1 or 904L are commonly used, having good resistance to generalized corrosion. The passive layer is nevertheless insufficient to ensure complete immunity in all cases of localized corrosion encountered during wear. For this reason, a high-corrosion-resistant steel: X1 CrNiMo 18-15-4 N 0.15 or 317LMN, from three different suppliers was evaluated. Metallographic characterization was carried out. The corrosion behavior evaluation was performed for the generalized corrosion, pitting and crevice corrosion and galvanic corrosion. Galvanic couples steel 317LMN-gold 18K alloy 3N and gold 18K 5M were used. The results of the generalized and pitting corrosion test indicated three basic groups. All of the 317LMNs were similar. The 316L variants tested noticeably worse. The 904Ls were difficult to discern, but certainly easier than the 316Ls and, possibly, at least comparable to the 317LMNs. Full article
(This article belongs to the Special Issue Advances in Alloys Used in Dentistry)
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Open AccessArticle
Control of Dopant Distribution in Yttrium-Doped Bioactive Glass for Selective Internal Radiotherapy Applications Using Spray Pyrolysis
Materials 2019, 12(6), 986; https://doi.org/10.3390/ma12060986 - 25 Mar 2019
Cited by 2 | Viewed by 893
Abstract
In this study, we demonstrate the fabrication of Y-doped bioactive glass (BG), which is proposed as a potential material for selective internal radiotherapy applications. Owing to its superior bioactivity and biodegradability, it overcomes the problem of yttrium aluminosilicate spheres that remain in the [...] Read more.
In this study, we demonstrate the fabrication of Y-doped bioactive glass (BG), which is proposed as a potential material for selective internal radiotherapy applications. Owing to its superior bioactivity and biodegradability, it overcomes the problem of yttrium aluminosilicate spheres that remain in the host body for a long duration after treatment. The preparation of Y-doped BG powders were carried out using a spray pyrolysis method. By using two different yttrium sources, we examine the change of the local distribution of yttrium concentration. In addition, characterizations of phase information, particle morphologies, surface areas, and bioactivity were also performed. The results show that both Y-doped BG powders are bioactive and the local Y distribution can be controlled. Full article
(This article belongs to the Special Issue Bioactive Glasses 2019)
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Open AccessArticle
Influence of PMMA on All-Inorganic Halide Perovskite CsPbBr3 Quantum Dots Combined with Polymer Matrix
Materials 2019, 12(6), 985; https://doi.org/10.3390/ma12060985 - 25 Mar 2019
Cited by 6 | Viewed by 1531
Abstract
The poor stability of CsPbX3 quantum dots (QDs-CsPbX3) under wet conditions is still considered to be a key issue. In order to overcome this problem, this study presents a high molecular weight polymer matrix (polymethylmethacrylate, PMMA) incorporated into the QDs-CsPbBr [...] Read more.
The poor stability of CsPbX3 quantum dots (QDs-CsPbX3) under wet conditions is still considered to be a key issue. In order to overcome this problem, this study presents a high molecular weight polymer matrix (polymethylmethacrylate, PMMA) incorporated into the QDs-CsPbBr3 to improve its stability and maintain its excellent optical properties. In this study, the Cs2CO3, PbO, Tetrabutylammonium Bromide (TOAB) powder, oleic acid, and toluene solvent were uniformly mixed and purified to prepare high-quality QDs powders. Then, hexane was used as a dispersing agent for the QD powder to complete the perovskite QDs-CsPbBr3 solution. Finally, a solution with different proportions of quantum dots CsPbBr3 and PMMA was prepared and discussed. In the preparation of thin films, firstly, a thin film with the structure of glass/QD-CsPbBr3/PMMA was fabricated in a glove box using a well-developed QDs-CsPbBr3 solution by changing the ratio of CsPbBr3:PMMA. The material analysis of QDs-CsPbBr3 thin films was performed with photoluminescence (PL), transmittance, absorbance, and transmission electron microscopy (TEM). The structures and morphologies were further examined to study the effect of doped PMMA on perovskite QDs-CsPbBr3. Full article
(This article belongs to the Special Issue Materials for Photovoltaic Applications)
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Open AccessArticle
Preparation and Physical Properties of High-Belite Sulphoaluminate Cement-Based Foam Concrete Using an Orthogonal Test
Materials 2019, 12(6), 984; https://doi.org/10.3390/ma12060984 - 25 Mar 2019
Cited by 1 | Viewed by 1010
Abstract
Prefabricated building development increasingly requires foam concrete (FC) insulation panels with low dry density (ρd), low thermal conductivity coefficient (kc), and a certain compressive strength (fcu). Here, the foam properties of a composite foaming [...] Read more.
Prefabricated building development increasingly requires foam concrete (FC) insulation panels with low dry density (ρd), low thermal conductivity coefficient (kc), and a certain compressive strength (fcu). Here, the foam properties of a composite foaming agent with different dilution ratios were studied first, high-belite sulphoaluminate cement (HBSC)-based FCs (HBFCs) with 16 groups of orthogonal mix proportions were subsequently fabricated by a pre-foaming method, and physical properties (ρd, fcu, and kc) of the cured HBFC were characterized in tandem with microstructures. The optimum mix ratios for ρd, fcu, and kc properties were obtained by the range analysis and variance analysis, and the final optimization verification and economic cost of HBFC was also carried out. Orthogonal results show that foam produced by the foaming agent at a dilution ratio of 1:30 can meet the requirements of foam properties for HBFC, with the 1 h bleeding volume, 1 h settling distance, foamability, and foam density being 65.1 ± 3.5 mL, 8.0 ± 0.4 mm, 27.9 ± 0.9 times, and 45.0 ± 1.4 kg/m3, respectively. The increase of fly ash (FA) and foam dosage can effectively reduce the kc of the cured HBFC, but also leads to the decrease of fcu due to the increase in mean pore size and the connected pore amount, and the decline of pore uniformity and pore wall strength. When the dosage of FA, water, foam, and the naphthalene-based superplasticizer of the binder is 20 wt%, 0.50, 16.5 wt%, and 0.6 wt%, the cured HBFC with ρd of 293.5 ± 4.9 kg/m3, fcu of 0.58 ± 0.02 MPa and kc of 0.09234 ± 0.00142 W/m·k is achieved. In addition, the cost of HBFC is only 39.5 $/m3, which is 5.2 $ lower than that of ordinary Portland cement (OPC)-based FC. If the surface of the optimized HBFC is further treated with water repellent, it will completely meet the requirements for a prefabricated ultra-light insulation panel. Full article
(This article belongs to the Special Issue Sustainability in Construction and Building Materials)
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Open AccessArticle
Artificial Intelligence Approaches for Prediction of Compressive Strength of Geopolymer Concrete
Materials 2019, 12(6), 983; https://doi.org/10.3390/ma12060983 - 25 Mar 2019
Cited by 36 | Viewed by 1828
Abstract
Geopolymer concrete (GPC) has been used as a partial replacement of Portland cement concrete (PCC) in various construction applications. In this paper, two artificial intelligence approaches, namely adaptive neuro fuzzy inference (ANFIS) and artificial neural network (ANN), were used to predict the compressive [...] Read more.
Geopolymer concrete (GPC) has been used as a partial replacement of Portland cement concrete (PCC) in various construction applications. In this paper, two artificial intelligence approaches, namely adaptive neuro fuzzy inference (ANFIS) and artificial neural network (ANN), were used to predict the compressive strength of GPC, where coarse and fine waste steel slag were used as aggregates. The prepared mixtures contained fly ash, sodium hydroxide in solid state, sodium silicate solution, coarse and fine steel slag aggregates as well as water, in which four variables (fly ash, sodium hydroxide, sodium silicate solution, and water) were used as input parameters for modeling. A total number of 210 samples were prepared with target-specified compressive strength at standard age of 28 days of 25, 35, and 45 MPa. Such values were obtained and used as targets for the two AI prediction tools. Evaluation of the model’s performance was achieved via criteria such as mean absolute error (MAE), root mean square error (RMSE), and coefficient of determination (R2). The results showed that both ANN and ANFIS models have strong potential for predicting the compressive strength of GPC but ANFIS (MAE = 1.655 MPa, RMSE = 2.265 MPa, and R2 = 0.879) is better than ANN (MAE = 1.989 MPa, RMSE = 2.423 MPa, and R2 = 0.851). Sensitivity analysis was then carried out, and it was found that reducing one input parameter could only make a small change to the prediction performance. Full article
(This article belongs to the Special Issue New Advances in Self-Compacting Concrete and Geopolymer Concrete)
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Open AccessLetter
A Statistical Model of Cleavage Fracture Toughness of Ferritic Steel DIN 22NiMoCr37 at Different Temperatures
Materials 2019, 12(6), 982; https://doi.org/10.3390/ma12060982 - 25 Mar 2019
Cited by 5 | Viewed by 835
Abstract
It is a conventional practice to adopt Weibull statistics with a modulus of 4 for characterizing the statistical distribution of cleavage fracture toughness of ferritic steels, albeit based on a rather weak physical justification. In this study, a statistical model for cleavage fracture [...] Read more.
It is a conventional practice to adopt Weibull statistics with a modulus of 4 for characterizing the statistical distribution of cleavage fracture toughness of ferritic steels, albeit based on a rather weak physical justification. In this study, a statistical model for cleavage fracture toughness of ferritic steels is proposed according to a new local approach model. The model suggests that there exists a unique correlation of the cumulative failure probability, fracture toughness and yield strength. This correlation is validated by the Euro fracture toughness dataset for 1CT specimens at four different temperatures, which deviates from the Weibull statistical model with a modulus of four. Full article
(This article belongs to the Section Structure Analysis and Characterization)
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Open AccessArticle
Influence of W Addition on Microstructure and Mechanical Properties of Al-12%Si Alloys
Materials 2019, 12(6), 981; https://doi.org/10.3390/ma12060981 - 25 Mar 2019
Cited by 14 | Viewed by 1011
Abstract
A widespread method exerting the influence on the homogeneous formation of the microstructure and enhancement of strength properties of Al-Si alloys is a modification by super- and nanodispersed particles of different chemical compositions. In spite of the significant advances in the studies of [...] Read more.
A widespread method exerting the influence on the homogeneous formation of the microstructure and enhancement of strength properties of Al-Si alloys is a modification by super- and nanodispersed particles of different chemical compositions. In spite of the significant advances in the studies of the influence of various modifying compositions on the structure and mechanical properties of casted silumins, the literature contains no data about the influence of nanodispersed W-powder on formation of the structural-phase state and mechanical properties of Al-Si alloys. The paper considers the influence of 0.01–0.5 mass % W nanopowder on the structural-phase state and mechanical properties of an Al-12%Si alloy. It has been established that 0.1 mass % of W is an optimal addition. It results in the uniform distribution of eutectic (α-Al + Si), a 1.5-time decrease in the size of the plates of eutectic Si, a change of the shape of coarse plates (coarse plate-like or acicular) into a fine fibrous one, and an enhancement of the mechanical properties by 16–20%. Full article
(This article belongs to the Special Issue Applications of Al Alloys on Lightweight Structures)
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Open AccessArticle
Influence of the Elastic Modulus on the Osseointegration of Dental Implants
Materials 2019, 12(6), 980; https://doi.org/10.3390/ma12060980 - 25 Mar 2019
Cited by 6 | Viewed by 1319
Abstract
The load transfer from metallic prosthesis to tissue plays an important role in the success of a designed device. From a mechanical behavior point of view, the load transfer will be favored when the elastic modulus between the metallic implant and the bone [...] Read more.
The load transfer from metallic prosthesis to tissue plays an important role in the success of a designed device. From a mechanical behavior point of view, the load transfer will be favored when the elastic modulus between the metallic implant and the bone tissue are similar. Titanium and Ti-6Al-4V are the most commonly used metals and alloys in the field of dental implants, although they present high elastic moduli and hence trigger bone resorption. We propose the use of low-modulus β-type titanium alloys that can improve the growth of new bone surrounding the implant. We designed dental implants with identical morphology and micro-roughness composed of: Ti-15Zr, Ti-19.1Nb-8.8Zr, Ti-41.2Nb-6.1Zr, and Ti-25Hf-25Ta. The commercially pure Ti cp and Ti-6Al-4V were used as control samples. The alloys were initially mechanically characterized with a tensile test using a universal testing machine. The results showed the lowest elastic modulus for the Ti-25Hf-25Ta alloy. We implanted a total of six implants in the mandible (3) and maxilla (3) for each titanium alloy in six minipigs and evaluated their bone index contact (i.e., the percentage of new bone in contact with the metal—BIC%) after 3 and 6 weeks of implantation. The results showed higher BIC% for the dental implants with lowest elastic modulus, showing the importance of decreasing the elastic modulus of alloys for the successful osseointegration of dental implants. Full article
(This article belongs to the Special Issue Advances in Alloys Used in Dentistry)
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Open AccessArticle
The Effect of Hemostatic Agents on the Retention Strength of Zirconia Crowns Luted to Dentin Abutments
Materials 2019, 12(6), 979; https://doi.org/10.3390/ma12060979 - 25 Mar 2019
Viewed by 879
Abstract
The purpose of this study was to investigate whether hemostatic agents (HA) show an effect on the retention strength (RS) of zirconia crowns luted to dentin abutments after cleaning with an air/water spray. Human molars (N = 60/n = 12) were prepared and [...] Read more.
The purpose of this study was to investigate whether hemostatic agents (HA) show an effect on the retention strength (RS) of zirconia crowns luted to dentin abutments after cleaning with an air/water spray. Human molars (N = 60/n = 12) were prepared and zirconia crowns were milled. Prior to luting (Scotchbond Universal/RelyX Ultimate), molars were pretreated using HA: i. 25% AlCl3 (VSC), ii. 20% Fe2(SO4)3 (VS), iii. 15.5% Fe2(SO4)3 (AS), iv. 12.7% iron ion solution (ASX) and v. no pretreatment (control). Mastication simulation and pull-out tests were performed. Failure types were defined: cohesive 1—tooth root; cohesive 2—tooth crown; adhesive 1—cement on tooth; adhesive 2—cement on tooth and crown; mixed—adhesive/cohesive. Data were analyzed using 1-way ANOVA, post-hoc Scheffé, Pearson’s chi-square-test and Ciba–Geigy table (p = 0.05). No RS differences between the tested groups were observed (p = 0.200). ASX fractured more cohesive 2 than the control group. VSC showed more cohesive 2 than adhesive 1 fractures. VS showed more adhesive 2 than mixed fractures. AS showed more cohesive 2 than adhesive 1 and more adhesive 2 than mixed fractures. ASX showed predominantly cohesive 2 fractures. RS was not affected when HA were cleaned off by 30 s of air/water spray prior to luting. HA still seem to weaken the dentin abutment, making it prone to cohesive fractures. Full article
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Open AccessReview
Graphene-Based Inks for Printing of Planar Micro-Supercapacitors: A Review
Materials 2019, 12(6), 978; https://doi.org/10.3390/ma12060978 - 25 Mar 2019
Cited by 8 | Viewed by 1218
Abstract
Micro-supercapacitors have recently emerged as promising microscale power sources for portable and wearable microelectronics. However, most reported planar micro-supercapacitors suffer from low energy density and the complexity of fabrication, which calls for their further development. In recent years, the fortification of graphene has [...] Read more.
Micro-supercapacitors have recently emerged as promising microscale power sources for portable and wearable microelectronics. However, most reported planar micro-supercapacitors suffer from low energy density and the complexity of fabrication, which calls for their further development. In recent years, the fortification of graphene has enabled the dramatic improvement of planar micro-supercapacitors by taking full advantage of in-plane interdigital architecture and the unique features of graphene. The development of viable printing technologies has also provided better means for manufacturing, bringing micro-supercapacitors closer to practical applications. This review summarizes the latest advances in graphene-based planar micro-supercapacitors, with specific emphasis placed on formulation of graphene-based inks and their fabrication routes onto interdigital electrodes. Prospects and challenges in this field are also discussed towards the realization of graphene-based planar micro-supercapacitors in the world of microelectronics. Full article
(This article belongs to the Special Issue Next Generation of Supercapacitors: New Materials and Novel Devices)
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Open AccessArticle
Bending Properties of Mg Alloy Tailored Arc-Heat-Treated Blanks
Materials 2019, 12(6), 977; https://doi.org/10.3390/ma12060977 - 25 Mar 2019
Viewed by 757
Abstract
Tailored heat-treated blank is a special kind of sheet, and the plastic forming ability can be improved. In this work, the poor room-temperature plasticity of a tailored magnesium alloy blank was address through arc heat treatment. The formability of the material was enhanced [...] Read more.
Tailored heat-treated blank is a special kind of sheet, and the plastic forming ability can be improved. In this work, the poor room-temperature plasticity of a tailored magnesium alloy blank was address through arc heat treatment. The formability of the material was enhanced through local modification with arc pretreatment. The plasticity of the tailored arc-heat-treated blank was verified through the V-bending test. The microstructure and mechanical properties of the blank were tested, and the mechanisms underlying its improved deformability were analyzed. The bendability of the blank first increased and then decreased as heat input increased. The maximum V-bending ability of the arc-heat-treated blank increased by 88% relative to that of the untreated blank. Although springback decreased under increasing heat input, the local strength and elastic modulus of the alloy blank were equivalent to those of the base metal. This result indicated that the springback resistance of the material did not improve. The back of the blank treated under the optimal parameters comprised heat-affected zones with good plasticity. Recrystallization and grain growth occurred in the heat-affected zones. The blank exhibited reduced hardness and improved malleability. When the heat input was further increased, however, a semi-melting zone formed on the lower surface of the blank. The formation of this zone resulted in the precipitation of intermetallic compounds from the crystal phase and increased the hardness of the blank. It also decreased the plasticity and malleability of the blank. Full article
(This article belongs to the Special Issue Advanced Metal Forming Processes)
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Open AccessArticle
Regulating the Expansion Characteristics of Cementitious Materials Using Blended MgO-Type Expansive Agent
Materials 2019, 12(6), 976; https://doi.org/10.3390/ma12060976 - 25 Mar 2019
Cited by 3 | Viewed by 773
Abstract
To promote the application of MgO-type expansive agents (MEAs), the expansion stresses produced by compacted MEAs with different activities cured in water at 40 °C were measured using a self-designed expansion stress test apparatus. Based on these, different MEAs were divided into the [...] Read more.
To promote the application of MgO-type expansive agents (MEAs), the expansion stresses produced by compacted MEAs with different activities cured in water at 40 °C were measured using a self-designed expansion stress test apparatus. Based on these, different MEAs were divided into the early-type MgO expansive agent and the late-type MgO expansive agent classifications according to the stress curves of compacted MEAs. The two types of MEAs were blended with each other at different ratios and added into cement pastes. Results indicated that the expansion of the cement pastes added with blended MEAs lasted from the beginning to 200 days later, and the expansion characteristics can be regulated by adjusting the blending ratio of MEAs and the choice of types of MEAs. The results suggest that the expansion of MEAs can be improved by using blended MEAs in practical applications. Full article
(This article belongs to the Special Issue Sustainability in Construction and Building Materials)
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Open AccessArticle
Variation of the Pore Morphology during the Early Age in Plain and Fiber-Reinforced High-Performance Concrete under Moisture-Saturated Curing
Materials 2019, 12(6), 975; https://doi.org/10.3390/ma12060975 - 24 Mar 2019
Cited by 2 | Viewed by 823
Abstract
In this paper, two concrete mixtures of plain concrete (PC) and steel fiber-reinforced high-performance concrete (SFRC) have been scanned in order to analyze the variation of the pore morphology during the first curing week. Six cylinders of 45.2-mm diameter 50-mm height were performed. [...] Read more.
In this paper, two concrete mixtures of plain concrete (PC) and steel fiber-reinforced high-performance concrete (SFRC) have been scanned in order to analyze the variation of the pore morphology during the first curing week. Six cylinders of 45.2-mm diameter 50-mm height were performed. All of the specimens were kept in a curing room at 20 °C and 100% humidity. A computed tomography (CT) scan was used to observe the internal voids of the mixtures, and the data were analyzed using digital image processing (DIP) software, which identified and isolated each individual void in addition to extracting all of their geometrical parameters. The results revealed that the SFRC specimens showed a greater porosity than the PC ones. Moreover, the porosity increased over time in the case of SFRC, while it remained almost constant in the case of PC. The porosity increased with the depth in all cases, and the lowest porosity was observed in the upper layer of the specimens, which is the one that was in contact with the air. The analysis of the results showed that the fibers provided additional stiffness to the cement paste, which was especially noticeable during this first curing week, resulting in an increasing of the volume of the voids and the pore size, as well as a reduction in the shape factor of the voids, among other effects. Full article
(This article belongs to the Special Issue In-Situ X-Ray Tomographic Study of Materials) Printed Edition available
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Open AccessArticle
An Approach to the Uniform Dispersion of Graphene Nanosheets in Powder Metallurgy Nickel-Based Superalloy
Materials 2019, 12(6), 974; https://doi.org/10.3390/ma12060974 - 24 Mar 2019
Viewed by 1153
Abstract
In this paper, a wet-chemical based method was adopted to acquire the uniform dispersion of graphene nanosheets (GNSs) in a powder metallurgy nickel-based superalloy (FGH96) to fabricate a new GNSs reinforced FGH96 metal matrix composite. The surface of the FGH96 powder was modified [...] Read more.
In this paper, a wet-chemical based method was adopted to acquire the uniform dispersion of graphene nanosheets (GNSs) in a powder metallurgy nickel-based superalloy (FGH96) to fabricate a new GNSs reinforced FGH96 metal matrix composite. The surface of the FGH96 powder was modified using a hydrophilic surfactant named polyvinyl alcohol (PVA), which has good wettability and strong hydrogen bonding between the –OH groups of PVA and oxygen groups of GNSs such as –COOH, –CHO, and –OH. It was shown that the GNSs displayed much better dispersion uniformity on the PVA modified FGH96 powder than the unmodified one. The existence of PVA improved the adsorptive capacity of the GNSs attached on the powder surface and prevented the agglomeration in the following thermal preparation process. Consequently, the micro-hardness of PVA modified composite with 0.1 wt.% GNSs reached 497.9 HV, 3.4% higher than the unmodified FGH96 alloy. Therefore, this preparation process could act as the foundation of a common strategy for the fabrication of GNSs in metal matrix composites with good dispersion uniformity, which may have great potential application in aerospace applications. Full article
(This article belongs to the Special Issue Metal and Polymer Matrix Composites: Processing and Applications)
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Open AccessArticle
Effects of High Temperature on the Burst Process of Carbon Fiber/PVA Fiber High-Strength Concretes
Materials 2019, 12(6), 973; https://doi.org/10.3390/ma12060973 - 24 Mar 2019
Cited by 3 | Viewed by 949
Abstract
This paper carried out burst tests on the carbon and polyvinyl alcohol (PVA) fiber high-strength concrete specimens to investigate the effects of fiber type, fiber content, water content, heating rate and test specimen size on the burst, and the whole burst process of [...] Read more.
This paper carried out burst tests on the carbon and polyvinyl alcohol (PVA) fiber high-strength concrete specimens to investigate the effects of fiber type, fiber content, water content, heating rate and test specimen size on the burst, and the whole burst process of fiber-high concrete was photographed and recorded. The results indicated that fiber addition will improve the high temperature burst behavior of the high-strength concrete, and the performance of PVA is greatly different from that of carbon fiber. The water content and heating rate have little influence on the burst of the PVA test specimen, but they will greatly affect the carbon fiber test specimen. The size of the test specimen has a great influence on the burst. For the PVA concrete test specimen, the large size test specimen bursts on the surface; as for the carbon fiber test specimen, the large size test specimen delays the initial burst time, but the burst becomes fiercer. Full article
(This article belongs to the Special Issue High and Ultra-High Performance Concrete for Sustainable Construction)
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Open AccessArticle
CH4 Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films
Materials 2019, 12(6), 972; https://doi.org/10.3390/ma12060972 - 23 Mar 2019
Cited by 3 | Viewed by 963
Abstract
Suppression of carbon contamination in GaN films grown using metalorganic vapor phase epitaxy (MOVPE) is a crucial issue in its application to high power and high frequency electronic devices. To know how to reduce the C concentration in the films, a sequential analysis [...] Read more.
Suppression of carbon contamination in GaN films grown using metalorganic vapor phase epitaxy (MOVPE) is a crucial issue in its application to high power and high frequency electronic devices. To know how to reduce the C concentration in the films, a sequential analysis based on first principles calculations is performed. Thus, surface reconstruction and the adsorption of the CH4 produced by the decomposition of the Ga source, Ga(CH3)3, and its incorporation into the GaN sub-surface layers are investigated. In this sequential analysis, the dataset of the adsorption probability of CH4 on reconstructed surfaces is indispensable, as is the energy of the C impurity in the GaN sub-surface layers. The C adsorption probability is obtained based on steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic ensemble-based, non-phenomenological framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium. This framework is suitable especially when one studies the adsorption behavior of an impurity molecule because the conventional approach, the chemical potential control method, cannot be applied to a quantitative analysis for such a system. The proposed sequential model successfully explains the influence of the growth orientation, GaN(0001) and (000−1), on the incorporation of C into the film. This model can contribute to the suppression of the C contamination in GaN MOVPE. Full article
(This article belongs to the Special Issue Advances in Epitaxial Materials)
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