Article
Chemistry, Physical
Kateryna Kamyshnykova, Juraj Lapin, Tatiana Pelachova, Tomas Cegan, Jan Jurica, Anastasia Volodarskaja
Summary: The microstructure and mechanical properties of five alloys with varying carbon content were studied. The alloys were prepared by vacuum induction melting and centrifugal casting, followed by hot isostatic pressing and heat treatment. The microstructure of the heat-treated alloys consists of alpha 2 + gamma lamellar grains and gamma grain boundaries. Carbon content affects the interlamellar spacing and Vickers microhardness. Some alloys show improved creep resistance at high temperatures.
Article
Materials Science, Ceramics
Jinpeng Zhang, Longke Bao, Zhuangzhuang Kong, Renfu Wang, Yonghua Duan, Huarong Qi, Mingjun Peng
Summary: This study utilized first-principles calculations to investigate the structural properties of alpha and beta-YAlB4, revealing significant anisotropy in the elastic modulus. Analysis of state density and phonon dispersion curve confirmed the metallic properties and dynamic stability of YAlB4.
CERAMICS INTERNATIONAL
(2021)
Article
Energy & Fuels
Guilin Wei, Yanci Zuo, Fen Luo, Wenqing Yuan, Faqin Dong, Yi Liu, Xirui Lu
Summary: This study investigated the mechanical, thermodynamic properties, and minimum thermal conductivity of La2Zr2O7 material with the assistance of density functional theory. The results showed that La2Zr2O7 has considerable mechanical stability and ductility under pressure, with calculated parameters close to other reported results.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Yong Pan
Summary: This study applies the first-principle method to investigate the structural stability, mechanical and thermodynamic properties of FeCrAl ternary alloy. The results show that the orthorhombic phase of FeCrAl exhibits better thermodynamic stability and higher elastic stiffness, indicating stronger volume deformation resistance.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Ceramics
Shiqiang Hao, Qi-Jun Hong, Michael C. Gao
Summary: It is found that the self-forming CrTaO4 oxide scale exhibits better oxidation protection for refractory high-entropy alloys compared to Cr2O3. In this study, the phase stability, mechanical properties, and thermal properties of three polymorphous phases of CrTaO4 are investigated using first-principles density functional theory calculations. The results show that all three phases are mechanically stable, but exhibit thermal softening with increasing temperature. The rutile I4(1)md phase shows the highest apparent bulk coefficient of thermal expansion and the lowest lattice thermal conductivity. The melting point of CrTaO4 is predicted to be between 1975 and 2449 K. This work provides a comprehensive theoretical understanding of the properties of CrTaO4 and offers a computational design strategy for improving the oxidation resistance of refractory alloys at high temperatures.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Xiaoyang Ma, Tong Yang, Dechun Li, Yuanping Feng
Summary: The elastic response of monolayer silicon-germanium alloys (Si1-xGex) was investigated and found to be influenced by the atomic arrangement, resulting in different elastic anisotropy for different crystal systems. This work provides guidance for the practical application of Si1-xGex alloys in optoelectronics and flexible electronics.
Article
Biochemistry & Molecular Biology
Veronica D'Ezio, Marco Colasanti, Tiziana Persichini
Summary: Amyloid-beta deposition in Alzheimer's disease induces oxidative stress and neuronal damage. Aβ(25-35) activates antioxidant response in astrocytes, leading to increased neuronal mortality due to glutamate release. Inhibition of System X-c(-) can reduce neuronal death and glutamate levels, with NMDA receptor activation playing a role in the pathway.
Article
Construction & Building Technology
Sungwoo Park, Seunghee Park, Solmoi Park, Sukhoon Pyo
Summary: Hybrid alkaline cement composites (HACC) are developed to overcome the low compressive strength of hybrid alkaline cement. The characteristics and microstructure of HACC are examined to understand its strength-developing mechanism.
CONSTRUCTION AND BUILDING MATERIALS
(2022)
Article
Computer Science, Interdisciplinary Applications
Hui Tang, Hong-Yun Wu, Guo-Yong Shi, Kun Cao, Juan Hua, Yue-Hua Su, Chao Zhang, Hong Jiang
Summary: The electronic, mechanical, and thermodynamic properties of layered ThB2C were investigated using first-principles calculations. The study revealed its brittle characteristics and thermodynamic stability.
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
(2023)
Article
Construction & Building Technology
Ngoc Lan Mai, Nguyen-Hieu Hoang, Ha T. Do, Monika Pilz, Thuat T. Trinh
Summary: This study investigated the mechanical and thermodynamic properties of four major phases of Portland cement using density functional theory calculations. The results were in good agreement with experimental data, and also provided insights into electron density, spin polarization, atomic charge, as well as free energy and entropy properties. Further development is needed to enhance the established DFT models for predicting the mechanical properties of the ferrite phase in Portland clinker.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Y. Pan, S. Chen
Summary: It is found that the introduction of transition metal elements can enhance the mechanical and thermodynamic properties of ZrB2, and particularly, W doping can significantly improve the bulk modulus and ductility of ZrB2. This is because the transition metal elements improve the electronic interaction between B and Zr atoms and enhance the localized hybridization of B-B and W-B atoms in ZrB2. In addition, these transition metals also enhance the Debye temperature of ZrB2, further improving its performance.
Article
Materials Science, Multidisciplinary
Chenglong Qin, Yushu Yu, Zihan Xu, Jiguang Du, Liang Zhao, Gang Jiang
Summary: The mechanical, thermodynamic, and surface properties of U-Si alloys were investigated using density functional theory calculations. The results showed that U3Si2 exhibited brittleness, while the remaining U-Si alloys demonstrated reliable ductility. The study also calculated the sound velocity, Debye temperature, and surface properties of the alloys.
Article
Polymer Science
Mamdouh A. Al-Harthi, Manwar Hussain
Summary: The study investigated the influence of functionalized MWCNT and GNF on the properties of MWCNT/GNF-PVDF nanocomposites, including mechanical, thermal, and thermo-oxidative stability, as well as thermal conductivity. The results showed that the addition of functionalized GNF/MWCNT improved the thermal stability of the PVDF nanocomposites and altered their crystallization and melting behavior.
Article
Materials Science, Multidisciplinary
D. A. Andersson, C. Matthews, Y. Zhang, B. Beeler
Summary: DFT calculations were used to study the thermodynamic and kinetic properties of point defects in the ,B phase of uranium. The fastest diffusion rate was determined to be through a vacancy mechanism in the z crystallographic direction, with good agreement between predicted uranium self diffusivity and experimental data. The study provides valuable information for fuel performance models regarding swelling and gas evolution.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Materials Science, Ceramics
Zhuo Zhang, Xiaoming Duan, Ze Zhang, Weiming Guo, Huatay Lin, Delong Cai, Peigang He, Dechang Jia, Yu Zhou
Summary: The preparation of β-Si3N4 ceramics involves the use of alpha-Si3N4 powders, beta-Si3N4 whiskers, and Re2O3-MgO additives. The transition from alpha-Si3N4 to beta-Si3N4 during sintering, along with the distribution of oxide particles, significantly influences the mechanical properties of the ceramics. The thermal conductivity of the ceramics is determined by both the grain size and the homogeneity of oxide particle distribution, leading to a lack of a regular trend among different specimens.
CERAMICS INTERNATIONAL
(2021)
Article
Nuclear Science & Technology
Dong-Yang Jiang, Zheng Zhang, Rui-Xue Liang, Zhi-Hong Zhang, Yang Li, Qiang Zhao, Xiao-Ping Ouyang
NUCLEAR SCIENCE AND TECHNIQUES
(2017)
Article
Chemistry, Multidisciplinary
Qiang Zhao, Zheng Zhang, Xiaoping Ouyang
Article
Materials Science, Multidisciplinary
Qiang Zhao, Zheng Zhang, Xiaoping Ouyang
MATERIALS RESEARCH EXPRESS
(2018)
Article
Instruments & Instrumentation
Qiang Zhao, Zheng Zhang, Xiaoping Ouyang
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
(2019)
Article
Chemistry, Physical
Zheng Zhang, Qiang Zhao, Mei Huang, Xiaoping Ouyang
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
(2019)
Article
Materials Science, Multidisciplinary
Qiang Zhao, Zheng Zhang, Mei Huang, Xiaoping Ouyang
COMPUTATIONAL MATERIALS SCIENCE
(2019)
Article
Chemistry, Physical
Zheng Zhang, Qiang Zhao, Kai Chen, Mei Huang, Xiaoping Ouyang
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
(2020)
Article
Materials Science, Multidisciplinary
Zheng Zhang, Kai Chen, Qiang Zhao, Mei Huang, Xiaoping Ouyang
MATERIALS RESEARCH EXPRESS
(2020)
Article
Instruments & Instrumentation
Qiang Zhao, Zheng Zhang, Mei Huang, Xiaodong Zhang, Xiaoping Ouyang
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
(2020)
Article
Chemistry, Physical
Zheng Zhang, Kai Chen, Qiang Zhao, Mei Huang, Xiaoping Ouyang
Summary: The research shows that monolayer MoS2 sheet is most effective in removing Ni2+ and Cr3+ ions from wastewater, followed by Cu2+ and Pb2+. However, the adsorption strength for Cd2+, Zn2+, and Hg2+ ions still needs improvement.
GREEN ENERGY & ENVIRONMENT
(2021)
Article
Chemistry, Multidisciplinary
Zheng Zhang, Qiang Zhao, Mei Huang, Xiaodong Zhang, Xiaoping Ouyang
NANOSCALE ADVANCES
(2019)
Article
Nuclear Science & Technology
Qiang Zhao, Yang Li, Zheng Zhang, Xiaoping Ouyang
JOURNAL OF NUCLEAR ENGINEERING AND RADIATION SCIENCE
(2018)
Article
Mathematics, Interdisciplinary Applications
Xinghao Liang, Yang Li, Qiang Zhao, Zheng Zhang, Xiaoping Ouyang
Article
Nuclear Science & Technology
Qiang Zhao, Zheng Zhang, Xiaoping Ouyang
JOURNAL OF NUCLEAR ENGINEERING AND RADIATION SCIENCE
(2018)
Proceedings Paper
Nuclear Science & Technology
Qiang Zhao, Yang Li, Zheng Zhang, Xiaoping Ouyang
PROCEEDINGS OF THE 25TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING, 2017, VOL 3
(2017)