Article
Chemistry, Physical
Xiaobo He, Lijun Wang, Kuochih Chou
Summary: In this study, the interfacial element distribution and structure of CaO-SiO2-10%mass MnO slag were explored using gas-slag equilibrium experimental method and XPS detection method. The results showed that the interface sulfide capacity continuously decreases as the etching depth increases, possibly due to the d electron supplement from Mn. The structural units obtained by Raman spectroscopy are closer to the CaO-SiO2 system, while the interfacial structure tends towards the MnO-SiO2 system.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Nirmala Rani, Kanika Khurana, Neena Jaggi
Summary: CNTs based nanocomposites are highly promising materials in various fields due to their excellent properties. This research focused on spectroscopic study of FMWCNTs nanocomposites with different wt% of SnO2 NPs, confirming structural defects through XRD and Raman spectroscopy, chemical composition through XPS, and morphology through FESEM and TEM analysis. FTIR spectroscopy was used to validate the presence of different functional groups on the FMWCNTs and SnO2/FMWCNTs nanocomposites.
SURFACES AND INTERFACES
(2021)
Article
Energy & Fuels
Duygu Kocaefe, Julie Bureau, Armita Rastegari, Karthikeyan Rajan, Yasar Kocaefe
Summary: This study aims to investigate the effect of modifying a pitch containing a high amount of primary quinoline insolubles (HQI pitch) on anode quality. The results showed that adding the appropriate percentage of additive (2%) and using high-quality pitch (16%) improved anode properties. The modified HQI pitch also exhibited better wetting ability on coke.
Article
Materials Science, Ceramics
Dongwei Zhang, Xin Xu, Tianlai Yu, Dahong Mo, Jinlong Diao, Tao Zheng, Yanyan Guo, Jingwen Lv
Summary: In this study, a glass composition with P2O5-53SnF(2)-2B(2)O(3) was prepared and characterized under a nitrogen atmosphere. The presence of new P-N and P = N bonds in the glass network was confirmed, and the transition temperature and weight loss of the glass were found to be influenced by the NH4H2PO4 content. This work demonstrates the potential of nitride tin-boron-fluorophosphate glass as a low-temperature sealing material with satisfactory properties.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Optics
Rubby Mahajan, Ram Prakash, Sandeep Kumar, Vinay Kumar, R. J. Choudhary, D. M. Phase
Summary: In this study, Mg3(1-x)Dy3x(PO4)(2) phosphors with varying doping ratios were successfully synthesized using urea as fuel. XRD analysis confirmed a monoclinic structure for both undoped and Dy3+ (2 mol. %) doped phosphors. The PL emission spectra showed yellowish white light emission when excited with near UV light, and the band gap of Dy3+ (2 mol. %) doped Mg-3(PO4)(2) was decreased compared to undoped phosphor due to the formation of intermediate energy levels.
Article
Materials Science, Ceramics
Xiaobo He, Lijun Wang, Kuochih Chou
Summary: A comparative study was conducted on slag with and without chromium to investigate the distribution of elements at the gas-slag interface. The presence of sulfur and oxygen in different forms was revealed by X-ray photoelectron spectroscopy. Chromium was found to change the interface structure and affect the distribution of sulfur and oxygen. Additionally, the oxidation state of chromium influenced the presence of non-bridged oxygen and sulfur at the interface.
CERAMICS INTERNATIONAL
(2021)
Article
Polymer Science
Dinara Sobola, Pavel Kaspar, Klara Castkova, Rashid Dallaev, Nikola Papez, Petr Sedlak, Tomas Trcka, Farid Orudzhev, Jaroslav Kastyl, Adam Weiser, Alexandr Knapek, Vladimir Holcman
Summary: This study explores the inclusion of nitride salts into polyvinylidene fluoride fibers prepared by electrospinning, observing changes in structural, chemical, and electrical properties. The results suggest a grouping of parameters by electronegativity and molecular mass of the additive salts, with the addition of Mg(NO3)(2), Ca(NO3)(2), and Zn(NO3)(2) salts eliminating the presence of the gamma-phase. The trend of electrical properties following the electronegativity of the nitrate salt cation is also demonstrated.
Article
Optics
Madhuri Mishra, Rajib Saha, Lavi Tyagi, Sushama Sushama, Sushil Kumar Pandey, Subhananda Chakrabarti
Summary: In this study, phosphorus-doped MgZnO thin films were prepared through spin-on doping and annealing, which improved the morphology, structure, and optical properties. Annealing at temperatures of 800-900 degrees C resulted in good morphology and large grains.
JOURNAL OF LUMINESCENCE
(2023)
Article
Materials Science, Ceramics
Renze Xu, Zhen Wang
Summary: In this work, the liquidus temperature of CaO-SiO2-Fe2O3-TiO2 slags was studied using HTCLSM and high temperature equilibration and quenching method. Raman and XPS spectra were obtained for quenched slags with different TiO2 content and at different quenched temperatures to analyze the structure characteristics. The results showed that the slag liquidus temperature decreased with the addition of TiO2. Raman and XPS spectra analysis revealed that TiO2 could depolymerize the slag network structure and decrease the quantity of complex silicate units.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Energy & Fuels
Xiaolei Wang, Huihui Liu, Dongming Zhang, Xiuzhu Yuan, Ping Zeng, Hao Zhang
Summary: This study investigates the interaction between CO2 and coal, and finds that the increase of CO2 pressure leads to changes in mineral content and molecular structure characteristics of coal. The research results have important implications for further exploration of CO2 geological storage in coal seams.
Article
Chemistry, Multidisciplinary
Deji Jing, Xiangxi Meng, Shaocheng Ge, Tian Zhang, Mingxing Ma, Gang Wang
Summary: The structural characteristics of bituminous coal were investigated at the molecular level, revealing that aromatic compounds primarily consist of two- and three-ring structures, while aliphatic structures are mainly found in the form of methyl, ethyl side chains, and naphthenic hydrocarbons. A molecular model of bituminous coal was constructed and optimized, and the energy contribution of bond stretching and van der Waals interactions was found to be significant. These findings provide a theoretical basis for the efficient use of bituminous coal and the optimization of surfactant design.
Article
Materials Science, Ceramics
Zhanjun Wang, Bei Shen, Ming Zhong, Zushu Li, Cong Wang
Summary: The viscous behavior and structure of ternary SiO2-MnO-Al2O3 submerged arc welding fluxes were investigated in this study. The results showed that the viscosity increased with the substitution of MnO with Al2O3, indicating enhanced polymerization of the flux. The (Q(2)+Q(3)+Al-O-0)/(Q(0)+Q(1)+Al-O+AlO6) ratio confirmed the continuous polymerization of the flux structure.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Fang Yuan, Zheng Zhao, Yanling Zhang, Tuo Wu
Summary: The effect of Al2O3 content on the viscosity and structure of CaO-SiO2-Cr2O3-Al2O3 slags was investigated. The results showed that within a certain range, the viscosity of the slag is significantly influenced by the Al2O3 content, and the Cr2O3-containing slag requires less Al2O3. Raman spectra revealed structural changes in the slag, and the dissolved organic phosphorus content correlated with the viscosity and Raman results.
INTERNATIONAL JOURNAL OF MINERALS METALLURGY AND MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Chundong Liu, Fengcai Lei, Maogang Gong, Xiaoming Zhou, Xiaofei Zhao, Zhen Li, Chao Zhang, Baoyuan Man, Jing Yu
Summary: A new hydrophobic SERS strategy is proposed, using a SERS-active structure of superhydrophobic ZnO/Ag nanowires to enhance SERS performance under aqueous environment. The structure can concentrate analytes and enhance electric field simultaneously, improving detection sensitivity and anti-interference capability. The strategy is successfully applied in various real in situ detection scenarios.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Article
Chemistry, Physical
Bibhu P. Swain
Summary: In this study, nc-Si(SiC) thin films were deposited using CVD at different process temperatures. Various characteristics of the thin films were observed and parameters such as crystallite size, lattice-strain, Raman peaks, and bandgap range were estimated.
Article
Materials Science, Ceramics
Deniz Bozoglu, Sahin Yakut, Kemal Ulutas, Deniz Deger
Summary: Thin film polyethylene oxide, produced by the thermal evaporation technique, exhibits structural and property differences compared to bulk polyethylene oxide. The dielectric constant of polyethylene oxide thin film is 10 times greater than that of bulk polyethylene oxide. There is consistency among dielectric constants, activation energies, and free volume fractions for both thin film and bulk samples. Polyethylene oxide thin film is observed to be more brittle than bulk polyethylene oxide.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Xiaozhen Fan, Zhuo Wang, Zheng Fang, Huiqun Ye, Jinju Zheng, Jianqiang Zhang, Yanjun Qin, Yao Zhai, Yanlong Miao, Zixiang Zhao, Can Yang, Jiajun He, Zhenghang Wei, Yunzhang Fang
Summary: The microscopic strain evolution and microstructural of FeCuNbSiB amorphous alloy samples were studied under both free and tensile stress annealing conditions. It was found that an amorphous-nanocrystalline structure was developed in both samples after annealing at 813 K, and the size of nanocrystals was limited by the applied stress.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Atsushi Tanaka, Atsuki Saito, Takashi Murata, Ayako Nakata, Tsuyoshi Miyazaki
Summary: Although molecular dynamics (MD) simulation is a powerful tool for investigating the atomic-scale structures of complex materials, its reliable and accurate application to multi-component glass systems faces challenges due to limited force fields (FFs) and the complexity of chemical environments. This study demonstrates the feasibility of efficient and accurate large-scale density functional theory (DFT) calculations for multi-component glass systems. The evaluation of classical FFs based on the results of large-scale DFT calculations reveals low accuracy for non-bridging oxygen atoms, and differences in Si-O-Si angle distribution and electronic structure for X = Mg.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Petr Shvets, Ksenia Maksimova, Aleksandr Goikhman
Summary: In this study, vanadium oxide xerogel samples were successfully synthesized through a liquid phase reaction and the interaction of films with water. The samples were thoroughly analyzed using X-ray diffraction and Raman spectroscopy, revealing the existence of two distinct phases. It was also discovered that previous misinterpretations regarding the high-pressure polymorph structure were due to the formation of a high-temperature phase. These findings highlight the potential for further refining and expanding the current structural models of vanadium oxide xerogel in future research efforts.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Yiran Zhang, Jing Pang, Qingchun Xiang, Dong Yang, Yinglei Ren, Xiaoyu Li, Keqiang Qiu
Summary: The effect of the volume fraction of body-centered cubic (BCC) crystal on the room temperature brittleness of Fe-based amorphous nanocrystalline alloys was investigated. Molecular dynamics simulations were conducted to obtain seven model samples with different embedded BCC nanocrystal contents. The results showed a gradient decrease in the plasticity of the alloys with different nanocrystal contents.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Moustafa Sahnoune Chaouche, Hani K. Al-Mohair, Shavan Askar, Barno Sayfutdinovna Abdullaeva, Naseer Ali Hussien, Ahmed Hussien Alawadi
Summary: In this work, a novel micromechanical data-driven machine learning framework was proposed to characterize material parameters in bulk metallic glasses. The framework utilized nanoindentation simulations with Berkovich and spherical tips to compile a vast collection of data on material behavior in BMGs. The developed machine learning model efficiently predicted critical material properties and highlighted the importance of input feature weight functions.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Louisiane Verger, Vinuyan Ganesaratnam, Virginie Nazabal, Sebastien Chenu, Christophe Calers, David Le Coq, Laurent Calvez, Olivier Hernandez, Xiang-Hua Zhang
Summary: Crystallization in Ga, Sb, and Se glasses was studied, and a correlation between Se content, crystalline phases, and electrical conductivity was observed. The resulting glass-ceramics exhibited significantly higher conductivity compared to other Se-based glass-ceramics.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Seong-Sik Shin, Ga-Yeong Kim, Byeonggwan Lee, Jae-Hwan Yang, Yeon-Su Son, Jung-Hoon Choi, Jae-Young Pyo, Ki Rak Lee, Hwan-Seo Park, Hyun Woo Kang
Summary: In this study, silver tungstate-tellurite glass with different loading of AgI was developed for immobilization of radioactive iodine. The effects of increasing the amount of AgI on the glass matrix were investigated. The leaching properties of all samples were evaluated, and it was found that the release of all elements satisfied the US regulation.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Chunghee Nam
Summary: This study demonstrates the prediction performance of a CNN regression model for the magnetic entropy changes and transition temperatures of bulk metallic glasses with magnetocaloric effects. The model achieved high prediction performance, as measured by the determination coefficient and root mean square error. The results showed good agreement with experimental values and reported results.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
A. Hosny, Y. M. Moustafa, G. El-Damrawi
Summary: In this study, crystalline glass ceramics were obtained directly from glasses using an ion exchange process between lead bromide and oxygen ions. The addition of lead bromide caused significant changes in the glass structure and the formation of specific crystalline phases.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Luana Cristina Feitosa Alves, Jheimison Ferreira Gomes, Natacya Fontes Dantas, Maria Nayane Queiroz, Pablo Nabuco Portes, Francielle Sato, Nilma de Souza Fernandes, Karina Miyuki, Celso Vataru Nakamura, Alysson Steimacher, Franciana Pedrochi
Summary: This study evaluated the influence of CaF2 addition on the bioactivity of the samples. The results showed that the samples exhibited good bioactivity and cytocompatibility, making them suitable for biomedical applications.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
N. Keninger, S. Feller
Summary: The principles of Topological Constraint Theory (TCT) were used to study alkali borate and silicate glass systems. Structural models were developed based on experimental data and used to predict properties of the glass.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Hao Wang, Chengliang Zhao, Chuntao Chang, Shengli Zhu, Zhankui Zhao
Summary: The relationship between the heterogeneous structure and structural relaxation in metallic glasses was explored by investigating the quasielastic and viscoelastic behavior of a Zr55Cu30Ni5Al10 metallic glass. Stress-annealing treatment was used to retain elastic strain energy, and a unique creep recovery phenomenon was observed during the reheating process. The Maxwell model was employed to qualitatively describe the mechanisms of elastic strain energy retention and release.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Sihyung Lee, Giyeol Han, Karuppasamy Pandian Marimuthu, Hyungyil Lee
Summary: This study presents a method for extracting FVM parameters of Zr-based TFMG using MD and FEA, and validates the method through simulation and experiments.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Nedra Saad, Mohamed Haouari, Mayssa Ibrahim, Noura Amamou
Summary: In this work, we investigated the optical properties of a fluorophosphate glass system doped with Tb3+ and Eu3+ ions. We found that the emitted light can be tuned by changing the doping concentration, excitation wavelength, or excitation power, which is important for the design of solid-state lighting sources.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)