Article
Chemistry, Physical
Hugo Monteiro, Alexandre Paiva, Ana Rita C. Duarte, Nuno Galamba
Summary: The addition of water to the choline chloride-urea mixture results in a unique structural transformation, leading to non-monotonic changes in choline-water and choline-choline coordination. Molecular dynamics simulations provide insights into the molecular mechanisms behind this transformation, highlighting the role of force fields in accurately describing the dynamics of deep eutectic solvents.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Ceramics
Yuantao Zhang, Jianguo Huang, Xiangchun Ning
Summary: By substituting MgO with MgF2, the network structure of the glass is disrupted, but the addition of fluoride ions can improve the mechanical properties of the glass.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Ceramics
Yang Yang, Wanlin Wang, Lejun Zhou, Xiaocan Zhong, Xianzheng Si, Hongliang Lin, Xiaokang Liu
Summary: This study investigated the influence of B2O3 on the viscosity and structure of CaO-Al2O3-WE melt. The results showed that the viscosity of the mold flux melt decreased with increasing temperature and B2O3 content. Fourier transform infrared (FTIR) and Raman spectroscopies indicated that the addition of B2O3 led to lower symmetry of the aluminate and silicate structure, insertion of [BO4]-tetrahedral and [BO3]-triangular, and the formation of more non-bridging oxygen (O-) and 2D structural units, which decreased the viscosity and Ea of the CaO-Al2O3-WE based melt.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
Yang Sui, Yi Cui, Peng Wei, Chuanbo Cong, Xiaoyu Meng, Hai-Mu Ye, Qiong Zhou
Summary: Considering the molar mass as an intrinsic property, increasing the molar mass also increases the number of entanglements per chain in ultra-high molecular weight polyethylene (UHMWPE), making it difficult to process. To address this, TiO2 nanoparticles with different characteristics were dispersed in UHMWPE solutions to disentangle the molecular chains. The resulting UHMWPE/TiO2 composites exhibited improved processability and mechanical properties compared to pure UHMWPE.
Article
Materials Science, Ceramics
M. Milanova, L. Aleksandrov, A. Yordanova, R. Iordanova, N. S. Tagiara, A. Herrmann, G. Gao, L. Wondraczek, E. I. Kamitsos
Summary: The structure and luminescence properties of glasses with compositions 50ZnO:40B2O3:10WO3:xEu2O3, 0 <= x <= 10 mol% were studied using infrared, Raman and photoluminescence spectroscopic techniques. The physical properties of the glasses were also determined. The results indicate the efficiency of the 50ZnO:40B2O3:10WO3 glass structure for the luminescence performance of doped Eu3+ and suggest that these glasses are potential materials for red emission.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Crystallography
Irene Schiesaro, Simone Anzellini, Rita Loria, Raffaella Torchio, Tiziana Spina, Rene Flukiger, Tetsuo Irifune, Enrico Silva, Carlo Meneghini
Summary: In this study, the local atomic structure of a Nb3Sn superconductor sample under different pressures was investigated using X-ray absorption fine structure (XAFS) technique. The analysis revealed a complex evolution of Nb chains at the local atomic scale, which appears to be related to anomalies observed in other superconductors with the same A15 crystallographic structure.
Article
Metallurgy & Metallurgical Engineering
Xiaobo Zhang, Chengjun Liu, Maofa Jiang
Summary: Molecular dynamics simulations have shown that the addition of B2O3 increases the degree of polymerization and complexity of the network structures in CaO-SiO2 slags, leading to an increase in viscosity. In the ternary system, the Si-BO-B structure is dominant, indicating a random mixing of B-O network structure with the initial Si-O network structure. Additionally, the effect of B2O3 on the viscosity of CaO-SiO2 slag varies depending on the basicity of the system.
STEEL RESEARCH INTERNATIONAL
(2022)
Article
Chemistry, Physical
M. L. Pereira Junior, W. F. da Cunha, R. T. de Sousa Junior, G. D. Amvame Nze, D. S. Galva, L. A. Ribeiro Junior
Summary: This study investigates the dynamics and structural transformations of carbon nano-onions (CNO) under high-velocity impacts using molecular dynamics simulations. The results suggest a new synthesis route for converting onions to diamonds through mechanical impact.
Article
Materials Science, Multidisciplinary
Asha Rani, Rajesh Parmar, R. S. Kundu
Summary: Comprehensive research was conducted into the structural, physical, and optical characteristics of quaternary glass systems, specifically the glass series 60V2O5-20B2O3-(20-x)Bi2O3-xCaO, where x = 0-20 mol%. X-ray diffraction confirmed their non-crystalline nature, while scanning electron microscopy and transmission electron microscopy confirmed glass formation. The effects of incorporating CaO on the characteristics of bismuth boro-vanadate glasses were investigated using various techniques.
Article
Chemistry, Multidisciplinary
Jinquan Zhang, Yanqi Wang, Libiao Tang, Juyi Duan, Jingjing Wang, Song Li, Meng Ju, Weiguo Sun, Yuanyuan Jin, Chuanzhao Zhang
Summary: The high-pressure structures and properties of MH2 (M = Nb, Ta) were explored using advanced computational methods, revealing novel metallic phases with fascinating distorted structures and superconducting properties. Phase diagrams of these compounds at different pressures and temperatures were also established.
ARABIAN JOURNAL OF CHEMISTRY
(2022)
Review
Chemistry, Physical
Yunfei Wang, Tianyao Gong, Matthew Lee, Anthony Shoji Hall
Summary: Nanostructured alloys are efficient catalysts for mediating renewable energy storage and recovery reactions. The formation of noble-metal shells covering an alloy core, or bi-continuous nanoporosity, is a common way an alloy can evolve by a corrosion mediated process. Recently, it was found that alloys can reconstruct within the bulk and form an ordered intermetallic material with different crystal structures and compositions than the starting material during corrosion.
CURRENT OPINION IN ELECTROCHEMISTRY
(2021)
Article
Materials Science, Ceramics
Qifan Wang, Hongbo Lou, Yoshio Kono, Daijo Ikuta, Zhidan Zeng, Qiaoshi Zeng
Summary: This study measured the viscosity of a metallic glass-forming liquid and found an abrupt drop at pressures between 3.2 GPa and 3.7 GPa, suggesting a possible pressure-induced liquid-to-liquid transition. Pressure could also affect the short- and medium-range orders in the multicomponent glass-forming liquid.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Multidisciplinary Sciences
Suixuan Li, Zihao Qin, Huan Wu, Man Li, Martin Kunz, Ahmet Alatas, Abby Kavner, Yongjie Hu
Summary: This study conducted in-situ thermal transport measurements on the newly discovered semiconductor crystal boron arsenide under high hydrostatic pressure and observed anomalous pressure dependence of the thermal conductivity. By using ultrafast optics, Raman spectroscopy, and inelastic X-ray scattering measurements, as well as atomistic theory calculations, the researchers revealed the mechanism behind this anomalous behavior and verified the accuracy of the theoretical calculations. The study also showed phonon dynamics beyond classical models, providing fundamental insights into microscopic energy transport in materials of extreme properties.
Article
Materials Science, Multidisciplinary
Shuanglong Chen, Xin Li, Zhen Yao, Enlai Dong, Lifen Shi, Mingrun Du, Xibao Yang, Ran Liu, Hang Lv, Bingbing Liu
Summary: In this study, the mechanical behaviors of aluminophosphate molecular sieve AlPO4-11 under high pressure were investigated. Two compressible regimes were observed before pressure-induced amorphization, and the as-synthesized AlPO4-11 framework showed improved mechanical stability due to the presence of template molecules. The results provided important insights into the intrinsic and extrinsic stability, compressibility, channel deformation, and collapse of the AlPO4-11 framework under high pressure.
MATERIALS CHEMISTRY AND PHYSICS
(2022)
Article
Chemistry, Physical
Baris Avar, Tuncay Simsek, Sadan Ozcan, Arun K. Chattopadhyay, Bora Kalkan
Summary: Nanostructured (FeCoNi)(70)Ti10B20 alloy was synthesized by mechanical alloying process, with solid solution formation observed from the onset of milling. Crystallite size and lattice strains appeared stabilized after 20 hours of milling, while prolonged milling led to the formation of amorphous phase. High-pressure studies confirmed stability of the amorphous phase up to 30 GPa pressure, with improved soft magnetic properties observed after annealing at 350 degrees C.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Aleksej J. Popel, Beng Thye Tan, Thomas Gouder, Giulio I. Lampronti, Jason Day, Rachel Eloirdi, Alice Seibert, Ian Farnan
APPLIED SURFACE SCIENCE
(2019)
Article
Materials Science, Multidisciplinary
Beng Thye Tan, Aleksej J. Popel, Richard J. Wilbraham, Jason Day, Giulio Lampronti, Colin Boxall, Ian Farnan
JOURNAL OF NUCLEAR MATERIALS
(2019)
Article
Chemistry, Physical
Konstantin I. Maslakov, Yury A. Teterin, Mikhail V. Ryzhkov, Aleksej J. Popel, Anton Yu. Teterin, Kirill E. Ivanov, Stepan N. Kalmykov, Vladimir G. Petrov, Ian Farnan
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2019)
Article
Materials Science, Ceramics
Thomas L. Gout, Mike T. Harrison, Ian Farnan
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2019)
Article
Materials Science, Ceramics
Thomas L. Gout, Mike T. Harrison, Ian Farnan
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2019)
Article
Environmental Sciences
T. M. Iwalewa, I. Farnan
WATER RESOURCES RESEARCH
(2019)
Article
Multidisciplinary Sciences
Dhan-sham B. K. Rana, Eugenio Zapatas Solvas, William E. Lee, Ian Farnan
SCIENTIFIC REPORTS
(2020)
Article
Materials Science, Ceramics
Joseph N. P. Liilington, Thomas L. Gout, Mike T. Harrison, Ian Farnan
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2020)
Article
Multidisciplinary Sciences
Claudia Gasparrini, Dhan-sham Rana, Niccolo Le Brun, Denis Horlait, Christos N. Markides, Ian Farnan, William E. Lee
SCIENTIFIC REPORTS
(2020)
Article
Nanoscience & Nanotechnology
Aleksej J. Popel, Steven R. Spurgeon, Bethany Matthews, Matthew J. Olszta, Beng Thye Tan, Thomas Gouder, Rachel Eloirdi, Edgar C. Buck, Ian Farnan
ACS APPLIED MATERIALS & INTERFACES
(2020)
Editorial Material
Materials Science, Ceramics
Joseph N. P. Lillington, Thomas L. Gout, Mike T. Harrison, Ian Farnan
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2020)
Article
Chemistry, Physical
Karishma B. Patel, Sophie Schuller, Giulio Lampronti, Ian Farnan
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Materials Science, Multidisciplinary
Thomas L. Gout, Sambuddha Misra, Edward T. Tipper, Madeleine S. Bohlin, Rui Guo, Ian Farnan
NPJ MATERIALS DEGRADATION
(2019)
Article
Mineralogy
Masami Kanzaki
JOURNAL OF MINERALOGICAL AND PETROLOGICAL SCIENCES
(2019)
Article
Mineralogy
Masami Kanzaki
JOURNAL OF MINERALOGICAL AND PETROLOGICAL SCIENCES
(2019)