E. Karagiannis, Dimitra Papadaki, M. Assimakopoulos
{"title":"Circular self-cleaning building materials and fabrics using dual doped TiO2 nanomaterials","authors":"E. Karagiannis, Dimitra Papadaki, M. Assimakopoulos","doi":"10.3934/matersci.2022032","DOIUrl":"https://doi.org/10.3934/matersci.2022032","url":null,"abstract":"Nanostructured titanium dioxide (TiO2) among other oxides can be used as a prominent photocatalytic nanomaterial with self-cleaning properties. TiO2 is selected in this research, due to its high photocatalytic activity, high stability and low cost. Metal doping has proved to be a successful approach for enhancing the photocatalytic efficiency of photocatalysts. Photocatalytic products can be applied in the building sector, using both building materials as a matrix, but also in fabrics. In this study undoped and Mn-In, Mn-Cu, In-Ni, Mn-Ni bimetallic doped TiO2 nanostructures were synthesized using the microwave-assisted hydrothermal method. Decolorization efficiency of applied nanocoatings on fabrics and 3-D printed sustainable blocks made from recycled building materials was studied, both under UV as well as visible light for Methylene Blue (MB), using a self-made depollution and self-cleaning apparatus. Nanocoated samples showed high MB decolorization and great potential in self-cleaning applications. Results showed that the highest MB decolorization for both applications were observed for 0.25 at% Mn-In doped TiO2. For the application of 3-D printed blocks Mn-In and In-Ni doped TiO2 showed the highest net MB decolorization, 25.1 and 22.6%, respectively. For the application of nanocoated fabrics, three samples (Mn-In, In-Ni and Mn-Cu doped TiO2) showed high MB decolorization (58.1, 52.7 and 47.6%, respectively) under indirect sunlight, while under UV light the fabric coated with Mn-In and In-Ni doped TiO2 showed the highest MB decolorization rate 26.1 and 24.0%, respectively.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70088934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Christos Stavrogiannis, F. Sofos, T. Karakasidis, D. Vavougios
{"title":"Investigation of water desalination/purification with molecular dynamics and machine learning techniques","authors":"Christos Stavrogiannis, F. Sofos, T. Karakasidis, D. Vavougios","doi":"10.3934/matersci.2022054","DOIUrl":"https://doi.org/10.3934/matersci.2022054","url":null,"abstract":"This paper incorporates a number of parameters, such as nanopore size, wall wettability, and electric field strength, to assess their effect on ion removal from nanochannels filled with water. Molecular dynamics simulations are incorporated to monitor the process and a numerical database is created with the results. We show that the movement of ions in water nanochannels under the effect of an electric field is multifactorial. Potential energy regions of various strength are formed inside the nanochannel, and ions are either drifted to the walls and rejected from the solution or form clusters that are trapped inside low potential energy regions. Further computational investigation is made with the incorporation of machine learning techniques that suggest an alternative path to predict the water/ion solution properties. Our test procedure here involves the calculation of diffusion coefficient values and the incorporation of four ML algorithms, for comparison reasons, which exploit MD calculated results and are trained to predict the diffusion coefficient values in cases where no simulation data exist. This two-fold computational approach constitutes a fast and accurate solution that could be adjusted to similar ion separation models for property extraction.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70089349","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effect of thickness on photovoltaic properties of amorphous carbon/fullerene junction","authors":"Takuto Eguchi, S. Kato, N. Kishi, T. Soga","doi":"10.3934/matersci.2022026","DOIUrl":"https://doi.org/10.3934/matersci.2022026","url":null,"abstract":"All-carbon photovoltaic devices have attracted attention in terms of resources and environment. However, the device application is very limited because of poor performance. In this work, we studied the solar cell characteristics of amorphous carbon (a–C)/fullerene (C60) junction when the thickness of the a–C layer was varied. When the thickness of the a–C layer was varied, the short-circuit current density and open-circuit voltage increased with increasing film thickness and then decreased after a certain value. Also, the spectral response measurement results suggest that most of the power generation is due to the light absorbed by the C60 layer, and that the light absorbed by the a–C layer may contribute little to power generation. This study suggests that the improvement in the electronic properties of a–C is necessary to make a photovoltaic device with high performance.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70088613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Mendizabal, M. Garcia, Luis Palenzuela, Enrique Hernández
{"title":"Obtaining preforms by additive fused deposition modelling (FDM) extrusion technology for the manufacture of high-performance composites","authors":"M. Mendizabal, M. Garcia, Luis Palenzuela, Enrique Hernández","doi":"10.3934/matersci.2022028","DOIUrl":"https://doi.org/10.3934/matersci.2022028","url":null,"abstract":"The composites industry is present in practically all industrial sectors with an annual growth rate of 5%. Its contribution to the priority \"light-weighting\" driver in the transport sector is key. The efficiency of the industry is made possible by the evolution of manufacturing processes that also improve the performance of the products obtained. For example, out-of-autoclave (OOA) processes can obtain high-performance composites such as those obtained by the autoclave process at lower costs. A key aspect in the development of this type of process is the preforming of continuous fibre reinforcements, which can achieve high fibre percentages while facilitating processing. Manufacturing these preforms currently requires multiple steps, equipment and tooling. TECNALIA's work developing the ADDICOMP technology, an alternative preform manufacturing method using an additive process based on Fused Deposition Modelling (FDM) is detailed in this article. This development is patented by Tecnalia and was conducted in 2 phases: (a) development of continuous fibre filaments coated with polymeric material and printable by FDM and (b) fine-tuning of FDM technology to print filaments with a very high content of continuous fibre.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70088729","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A molecular dynamics study concerning the effect of high-temperature and high-pressure on the structure and phase transition of Fe2O3 material","authors":"D. Trong, V. C. Long, Phu Nguyen Dang, Ș. Ţălu","doi":"10.3934/matersci.2022024","DOIUrl":"https://doi.org/10.3934/matersci.2022024","url":null,"abstract":"<abstract> <p>This paper uses Molecular Dynamics (MD) method to study the influence of high temperature (T) and high pressure (P) on the structure and phase transition of Fe<sub>2</sub>O<sub>3</sub> materials. The results show that, when increasing the temperature from T = 300 K to T = 7000 K, P = 0.0 GPa, the size (1) of the Fe<sub>2</sub>O<sub>3</sub> materials increases, the energy (E) increases, the length link (r) decreased, the number of structural units FeO<sub>4</sub>, FeO<sub>5</sub> increased, and FeO<sub>6</sub> decreased. Similarly, as the pressure (P) is increased, from P = 0 GPa to P = 360 GPa at temperatures T, l decreases, E increases, r decreases, FeO<sub>4</sub> decreases and disappears, FeO<sub>5</sub> decreases, and FeO<sub>6</sub> increases at high P with P ≥ 150 GPa, FeO<sub>5</sub> disappeared at P ≥ 250 GPa and only FeO<sub>6</sub> appeared at T = 2300, 7000 K. In addition, when increasing T, P, the bond angle of Fe–O–Fe, O–Fe–O decreases, E increases, r decreases, l increases when T increases and l decreases when P increases, leading to the number of structural units FeO<sub>4</sub>, FeO<sub>5</sub> increasing and FeO<sub>6</sub> decreasing when T increases and vice versa when P increases. In addition, the phase transition temperature (T<sub>m</sub>), T<sub>m</sub> = 2300 K was determined. All the obtained results will be the basis for future experimental studies of amorphous Fe<sub>2</sub>O<sub>3</sub> materials.</p> </abstract>","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70088953","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Seismic performance of ductile corrosion-free reinforced concrete frames","authors":"M. Meshaly, M. Youssef, Ahmed A. Elansary","doi":"10.3934/matersci.2022046","DOIUrl":"https://doi.org/10.3934/matersci.2022046","url":null,"abstract":"Corrosion of steel bars is the main cause of the deterioration of reinforced concrete (RC) structures. To avoid this problem, steel rebars can be replaced with glass-fiber-reinforced-polymer (GFRP). However, the brittle behaviour of GFRP RC elements has limited their use in many applications. The use of shape memory alloy (SMA) and/or stainless steel (SS) rebars can solve this problem, because of their ductile behaviour and corrosion resistance. However, their high price is a major obstacle. To address issues of ductility, corrosion, and cost, this paper examines the hybrid use of GFRP, SS, and SMA in RC frames. The use of SMA provides an additional advantage as it reduces seismic residual deformations. Three frames were designed. A steel RC frame, SS-GFRP RC frame, and SMA-SS-GFRP RC frame. The design criteria for the two GFRP RC frames followed previous research by the authors, which aimed at having approximately equal lateral resistance, stiffness, and ductility for GFRP and steel RC frames. The three frames were then analyzed using twenty seismic records. Their seismic performance confirmed the success of the adopted design methodology in achieving corrosion-free frames that provide adequate seismic performance.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70089030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effects of pitch length of perforation on the crease bending characteristics of a polypropylene sheet subjected to indentation of a perforation blade","authors":"S. Nagasawa, Tomoki Hosokawa","doi":"10.3934/matersci.2022050","DOIUrl":"https://doi.org/10.3934/matersci.2022050","url":null,"abstract":"This study reveals the bending formability of a polypropylene (PP) sheet indented by a perforation blade when changing the pitch of the dashed-ruled line and the indentation depth. Creasing is a folding method of a carton sheet in which a score (called as a ruled line) is made at the bent portion. When making a creased line on a resin sheet, the scored sheet thickness decreases by applying half cutting or creasing (pressing) at the bent portion to make it easier to fold. To smoothly process a folding line on the resin sheet, a dashed line using a perforation blade is sometimes considered. The pitch length of the dashed line, and its nicked (uncut) length, affect the crease bending characteristics of the resin sheet scored by the perforation blade. However, only a limited number of studies have analyzed the dashed line bending moment response. In this study, to clarify the bending formability of a 0.5-mm-thick PP sheet indented by a developed perforation blade, first, the influence of the perforation pitch length on the crease bending characteristics of a scored PP sheet was investigated from a 0.5-mm fine pitch up to an 8-mm commercially sold pitch with a cutting-to-pitch length ratio of 50%. Second, the nicked zone depth against the cutting tip was set as 50% of the 0.5-mm thickness of the PP sheet. Furthermore, it was revealed that burrs (wedged bottom) in the cut part of the perforated (dashed) line affected the bending moment resistance in the folding process of the scored PP sheet, when changing the indentation depth of the perforation blade.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70089127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Godymchuk, Alexey Ilyashenko, Y. Konyukhov, P. Offor, G. Baisalova
{"title":"Agglomeration and dissolution of iron oxide nanoparticles in simplest biological media","authors":"A. Godymchuk, Alexey Ilyashenko, Y. Konyukhov, P. Offor, G. Baisalova","doi":"10.3934/matersci.2022039","DOIUrl":"https://doi.org/10.3934/matersci.2022039","url":null,"abstract":"Despite high medical and biological potential, the penetration of iron oxide nanoparticles (NPs) into a human body can cause their dissolution with subsequent accumulation of highly toxic iron compounds. The paper describes the agglomeration and dissolution behavior of differently sized α-Fe2O3 NPs in the simplest biological solutions. The average sizes of the initial NPs according to the BET analysis are 12, 32, and 115 nm. Within 30–60 min exposure, the particle size and concentration of iron released into the solutions increases in the suspensions, accompanied by an intensive change of NPs surface charge. After an hour of exposure, the colloidal properties do not change significantly, although the dissolution degree ambiguously fluctuates. It has been shown that the agglomeration of the particles in the simplest pulmonary fluid is lower than in the simplest sweat fluid, compared to the dissolution degree, which is much higher in the pulmonary fluid than in the sweat. The colloidal stability of suspensions reduces with a decrease of NPs' size, e.g., the average size of particles is 315,289, and 248 nm, while zeta potential is 2, 9, and 17 mV, respectively for 12, 32, and 115 nm NPs in 3-hour suspensions. It has been found that 24 h dissolution degree of α-Fe2O3 NPs reaches 2.3% and 0.4%, respectively, in the simplest pulmonary and sweat fluids. The mechanism of dissolution of hematite NPs in the slightly acidic and acidic mediums is proposed.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70089185","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
E. Suhendi, A. E. Putri, Muhamad Taufik Ulhakim, A. Setiawan, Syarif Dani Gustaman
{"title":"Investigation of ZnO doping on LaFeO3/Fe2O3 prepared from yarosite mineral extraction for ethanol gas sensor applications","authors":"E. Suhendi, A. E. Putri, Muhamad Taufik Ulhakim, A. Setiawan, Syarif Dani Gustaman","doi":"10.3934/matersci.2022007","DOIUrl":"https://doi.org/10.3934/matersci.2022007","url":null,"abstract":"In this study, we used a natural resource, yarosite minerals, as a Fe2O3 precursor. Yarosite minerals were used for the synthesis of LaFeO3/Fe2O3 doped with ZnO via a co-precipitation method using ammonium hydroxide, which produced a light brown powder. Then, an ethanol gas sensor was prepared using a screen-printing technique and characterized using gas chamber tools at 100,200, and 300 ppm of ethanol gas to investigate the sensor's performance. Several factors that substantiate electrical properties such as crystal and morphological structures were also studied using X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM), respectively. The crystallite size decreased from about 61.4 nm to 28.8 nm after 0.5 mol% ZnO was added. The SEM characterization images informed that the modified LaFeO3 was relatively the same but not uniform. Lastly, the sensor's electrical properties exhibited a high response of about 257% to 309% at an operating temperature that decreased from 205 ℃ to 180 ℃. This finding showed that these natural resources have the potential to be applied in the development of ethanol gas sensors in the future. Hence, yarosite minerals can be considered a good natural resource that can be further explored to produce an ethanol gas sensor with more sensitive response. In addition, this method reduces the cost of material purchase.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70087708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. Habibunnisa, Ruben Nerella, Sri Rama Chand Madduru, R. S
{"title":"Physicochemical characterization of lignocellulose fibers obtained from seedpods of Wrightia tinctoria plant","authors":"S. Habibunnisa, Ruben Nerella, Sri Rama Chand Madduru, R. S","doi":"10.3934/matersci.2022009","DOIUrl":"https://doi.org/10.3934/matersci.2022009","url":null,"abstract":"Characterization of new innovative natural seed fibers from seedpods or fruits of various plants has increased popularly in textile, automotive, and construction industries due to various aspects, availability, and biodegradability. In addition, these fibers provide sustainable solutions to support technological innovation in numerous industrial applications. The current research aims to investigate the new lignocellulose fibers extracted from Wrightia tinctoria seedpods. The obtained Wrightia tinctoria seed fibers (WTSFs) were characterized via Scanning electron microscope (SEM), Fourier Transform Infrared-ray (FTIR), X-ray diffraction (XRD), Thermogravimetric analysis (TGA), and Differential scanning calorimetry (DSC) to understand the fibers physicochemical properties. Complete experimental study of natural seed fibers of Wrightia tinctoria found to be a lignocellulose fiber and contains unique characteristics. Surface morphological studies reveal that, WTSFs contain smoother surface which is beneficial to develop a good bond with matrix while making composites. It does not get wet quickly with water due to fatty, wax, mineral matters, and higher lignin content on the fiber surface which means the fiber is soft compared with other natural seed fibers. These unique properties of WTSFs ascertain as a suitable material for polymer fabrication process, which would be favourable to develop good bonding with the matrix for making composites and also useful for insulating composite materials.","PeriodicalId":7670,"journal":{"name":"AIMS Materials Science","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70087852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}