Article
Materials Science, Ceramics
L. Khvostova, N. E. Volkova, L. Ya Gavrilova, A. Maignan, V. A. Cherepanov
Summary: Six types of oxide phases were formed in the Sm2O3?SrO?Fe2O3 system, including perovskite type Sr1-?Sm?FeO3-? with cubic and orthorhombic structure, and the Ruddlesden-Popper series. A subsolidus isothermal isobaric phase diagram was constructed, dividing the compositional triangle into 24 phase fields. The study also showed the variations of oxygen content and oxidation state of iron in different phases, indicating that the maximum oxidation state of Fe ions in RP oxides increases with n.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2021)
Review
Materials Science, Ceramics
Elmira Moosavi-Khoonsari, Jesus Alejandro Arias-Hernandez, Sun Yong Kwon
Summary: Knowledge of thermodynamics and phase equilibria of oxidic materials is critical for advancements in ceramics and glass. Computational thermodynamics has made it possible to predict phase diagrams and chemical reactions, but challenges remain due to unidentified thermodynamic properties of many oxides. Developing a universal model for estimating oxide properties with reliable extrapolation capacity is key. Atomistic models are insufficient, while group contribution-based methods, like the polyhedron model, show potential but need improvements. This paper presents the background and current state of the polyhedron model, discussing its strengths, weaknesses, and the potential for developing an improved version using artificial intelligence.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Zhaocan Li, Guoqin Wu, Yunfang Liu, Jianmin Yu
Summary: The grain refinement and second phases evolution of Mg-13Gd-4Y-2Zn-0.4Zr sheet during the rotary forward extrusion (RFE) process were studied. The model used can predict the grain size evolution of the alloy during the RFE process with a relative error of less than 10%. The decrease in grain size is related to the enhanced dynamic recrystallization process, while the increase in grain size is linked with the solid solution of the second phase.
METALS AND MATERIALS INTERNATIONAL
(2023)
Article
Materials Science, Ceramics
Peide Luo, Xiang Wu, Wenhui Xiao, Fan Zhang, Yao Wang, Dandan Huang, Yong Du
Summary: The phase relations in the ZrO2-Ta2O5-Nb2O5 system were experimentally investigated and thermodynamically modeled. It was found that Ta2O5 and Nb2O5 phases substantially extend into the ternary system, forming a continuous solid solution. Despite initial difficulties in reproducing experimental results, the introduction of ternary mixing parameters allowed for improved thermodynamic descriptions and successful validation of the data.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Crystallography
Chenguang Yang, Jiadong Wang, Liqin Wu, Qiuyu Zeng, Liwei Zhang
Summary: In this study, the phase equilibria of the Mg-Ni-Gd ternary system were assessed using the CALPHAD method. A set of thermodynamic parameters were obtained and used to calculate the isothermal section, liquidus projections, and invariant reactions. The results showed good agreement with experimental data.
Article
Crystallography
Petra Maier, Merle Schmahl, Benjamin Clausius, Charis Joy, Claudia Fleck
Summary: This study investigates the nanomechanical properties of extruded and heat-treated Mg-Dy-Nd-Zn-Zr, with a focus on the transformation of long-period stacking-ordered (LPSO) phases using nanoindentation. The results show that the quantity and hardness of the LPSO phases undergo different changes during annealing. The grain size also changes with the formation of LPSO lamellae.
Article
Chemistry, Physical
Chen Su, Jingfeng Wang, Hao Hu, Youlin Wen, Shijie Liu, Kai Ma
Summary: The study investigated the Mg-8.5Gd-5Y-xAl (x=0.2, 0.5, 0.8 and 1.1 wt%) alloys in terms of their microstructure, mechanical properties, damping capacities, and corrosion properties. The results showed that the Mg-8.5Gd-5Y-0.2Al alloy exhibited the best mechanical properties, damping performance, and the lowest corrosion rate. The presence of LPSO phase contributed to enhanced mechanical properties and corrosion resistance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Polymer Science
Shreya Shetty, Enrique D. Gomez, Scott T. Milner
Summary: The study used molecular dynamics simulations and morphing method to calculate the interaction parameter chi for real polymer blends, with different transformation schemes needed for different polymers. Predictions for the first three blends agree reasonably with experiments but are sensitive to force field parameters.
Article
Nanoscience & Nanotechnology
Xiaodong Yang, Xiaojie Zhou, Shilun Yu, Jian Zhang, Xianzheng Lu, Xiaomin Chen, Liwei Lu, Weiying Huang, Yaru Liu
Summary: The tensile behavior of extruded and peak-aged Mg-5Gd-3Y-xZn-0.5Zr alloys was investigated in terms of microstructural evolution, deformation modes, and mechanical properties at temperatures ranging from -100℃ to 300℃. The study found that the Zn content affected the distribution of intragranular and interdendritic phases, which in turn influenced the mechanical properties of the alloys. Additionally, the deformation modes during tensile testing were influenced by factors such as testing temperature, grain orientation, and LPSO morphology.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Materials Science, Ceramics
Gerson J. Leonel, Manuel Scharrer, Gurpreet Singh, Alexandra Navrotsky
Summary: This study systematically investigates the thermodynamic stability of SiaOb(M)(c)C-d structures derived from polymeric precursors incorporating metal fillers: Ta, Nb, and Hf, at 1200 and 1500°C. The results show that overall incorporation of Hf results in the most thermodynamically stable structures at all synthesis temperatures. SiaOb(M)(c)C-d specimens employing Nb fillers undergo the most stable structural evolution in this temperature range. The choice of metal filler influences composition, structural evolution, and thermodynamic stability in PDCs.
INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY
(2023)
Review
Green & Sustainable Science & Technology
Pekka Taskinen, Katri Avarmaa
Summary: Depleting and increasingly complex mineral resources present challenges for metal production, particularly in the control of iron oxide fluxing in the raw material basis of non-ferrous metals. The targeted metal values as minority components in the ores lead to more complex slag compositions in smelting furnaces.
Article
Materials Science, Ceramics
Mengchuan Li, Rensheng Li, Tongsheng Zhang
Summary: This study obtained the phase equilibrium data of the SiO2-Ce2O3-CaO-25 wt %Al2O3 system through experimental methods, which is of great significance for the recycling of rare earth resources.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Multidisciplinary
Ningjing Luo, Zhufeng Hou, Chensheng Lin, Guo-Liang Chai
Summary: The stable ordered phases of W2C are determined by the attractive interaction of carbon vacancies in the L3-type lattice, while the disordered phase is stabilized by its configuration entropy. The phase transformation between different structures of W2C is facilitated by the migration of carbon atoms through a sequential intralayer mechanism.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Nanoscience & Nanotechnology
Quan Li, Jian Song, Yiwen Chen, Qi Zhang, Qingchun Zhu, Yue Liu, Jian Wang, Xiaoqin Zeng
Summary: Long-period stacking ordered (LPSO) phases effectively enhance the strength of Mg alloys by inhibiting the motion of non-basal dislocations and deformation twins. It was previously believed that LPSO phases do not affect the motion of basal dislocations. However, through in-situ TEM nanoindentation testing in a Mg97Y2Zn alloy, it was observed that the activity of basal dislocations is significantly reduced between LPSO phases with spacing less than 20 nm. Atomic HADDF-STEM results also revealed a high concentration of solute atoms near LPSO phases, which could contribute to strong solute strengthening. These findings have potential implications for the design of ultra-high strength Mg alloys containing nano-spaced LPSO phases.
SCRIPTA MATERIALIA
(2023)
Article
Thermodynamics
Matias J. Molina, S. Belen Rodriguez-Reartes, Marcelo S. Zabaloy
Summary: This work proposes a method for computing fluid state phase equilibrium diagrams for reactive systems, called reactive isopleths (R-IPs). The method is based on the stoichiometric approach for accounting for chemical reactions in the computation of simultaneous phase and chemical equilibria (SPCE). Various types of SPCE lines, including reactive phase envelopes, constant conversion lines, reactive constant global density lines (reactive isochores), and reactive constant phase fraction lines, are considered in this work. The algorithms used in this method can handle heterogeneous and/or homogeneous segments of these reactive lines. The thermodynamic model used for the fluid phases is of the equation of state (EoS) type. This work also discusses the intricacies of the behavior of R-IPs.
FLUID PHASE EQUILIBRIA
(2023)
Article
Materials Science, Multidisciplinary
Hao Dong, Yuzeng Chen, Yongchun Guo, Guibin Shan, Guoyu Yang, Linke Huang, Feng Liu, Qian Li
Summary: A novel multicomponent accumulative roll bonding (MARB) approach was proposed and successfully applied to prepare a nanostructured Ag/Cu multilayered composite. The MARB approach effectively suppresses shear band formation and reduces the thickness of the composite to 40 nm in only 6 cycles. The as-prepared nanostructured Ag/Cu multilayered composite exhibits high hardness (2.24 GPa) and high electrical conductivity (84% of international annealed copper standard; IACS), attributed to atomically ordered and chemically sharp hetero-phase interfaces and low density of grain boundaries resulting from the MARB process.
MATERIALS CHARACTERIZATION
(2023)
Article
Chemistry, Multidisciplinary
Jinzhou Li, Chengzhen Hou, Chao Chen, Wansen Ma, Qian Li, Liwen Hu, Xuewei Lv, Jie Dang
Summary: A collaborative interface optimization strategy was used to prepare a metal-organic framework (MOF) derived heterostructure electrocatalyst (MXene@RuCo NPs), which showed excellent performance in electrocatalytic hydrogen/oxygen evolution reactions. The electrocatalyst exhibited low overpotentials and high current densities, thanks to the introduction of second active sites and the enhancement of the number of active sites by doped Ru. The heterogeneous interfaces of MXene/RuCo NPs in the catalysts also played a significant role in improving the charge transfer rate and reducing the energy barrier of the catalytic reaction.
Article
Chemistry, Multidisciplinary
Huanran Zheng, Shibin Wang, Shoujie Liu, Jiao Wu, Jianping Guan, Qian Li, Yuchao Wang, Yu Tao, Shouyao Hu, Yu Bai, Jinxian Wang, Xiang Xiong, Yu Xiong, Yongpeng Lei
Summary: A composite catalyst, (Fe,Co)Se-2@Fe-1/NC, with a heterointerface between Fe-1/NC and selenides, is constructed. It exhibits extremely narrow potential gap of 0.616 V and remarkable stability in alkaline media, possessing high bifunctional oxygen catalytic activity. This study provides a superior bifunctional catalyst for Zn-air batteries and enriches the application of single-atom catalysts in multifunctional energy storage and conversion devices.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Engineering, Environmental
Xiaowen Lu, Tingting Luo, Mingyang Zhang, J. Hugh Horton, Qiong Wu, Wei Wu, Man Qiao, Yu Wang, Zhijun Li
Summary: The size and geometry of supported metal ensembles are crucial in the design of effective heterogeneous catalysts. In this study, supported single atomic-layered, low-nuclearity palladium catalysts were created using an electronic and structural engineering strategy. These atomically dispersed Pd catalysts exhibited excellent catalytic activity in the hydrogenation of levulinic acid to 1,4-pentanediol, a reaction of importance for biomass conversion. Theoretical calculations revealed that the high catalytic activity was a result of cooperation between adjacent Pd atoms and strong electronic metal-support interactions.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Li Wang, Liuting Zhang, Xiong Lu, Fuying Wu, Xuan Sun, Hu Zhao, Qian Li
Summary: CrMnFeCoNi and CrFeCoNi high-entropy alloys (HEAs) were used to enhance the hydrogen storage performance of MgH2. Among them, Mn-containing HEAs nanosheets showed the best performance. The MgH2-CrMnFeCoNi composite could release 6.5 wt% H2 in 10 min at 300°C and started to absorb H2 at 40°C. After 20 cycles at 300°C, 97% of the hydrogen storage volume could be maintained, demonstrating good cycling performance.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Materials Science, Multidisciplinary
Mingyu Fan, Ye Cui, Zhongwu Zhang, Liyuan Liu, Qian Li, Qun Luo
Summary: The effect of Ho addition on the oxidation behavior of Mg-Zn-Y-Ho alloys at 500 degrees C in air was investigated. Results showed that the addition of Ho can improve the high-temperature oxidation resistance of Mg-3Y-2Zn-12Ho alloys. With a 12 wt% Ho addition, the parabolic rate constant decreased by 75% compared to alloys without Ho addition. This improvement can be attributed to the formation of dense Ho2O3, which reduces the inward oxygen diffusion coefficient by 3 orders of magnitude compared to Y2O3. Additionally, the addition of Ho in the Mg-Y-Zn alloy maintained excellent tensile properties.
Article
Chemistry, Physical
Qian Li, Ning Miao, Jinling Zhong, Chengzhang Wu, Haiyan Leng
Summary: This study investigates the effect of KH on the hydrogen storage properties of graphene-doped MgH2, in comparison with KOH. The results demonstrate that the addition of 1 wt% KH and 1 wt% graphene significantly enhances the hydrogen storage performance of MgH2. It desorbs 6.0 wt% H2 within 30 min at 300°C, faster than pure MgH2. However, the desorption rate and activation energy are slower and larger, respectively, than the sample doped with KOH and graphene. Formation of the catalyst KMgH3 is observed with both KH and KOH, indicating that the H-H exchange between KH and MgH2 may suppress the desorption of MgH2, while the in-situ formed MgO by KOH addition promotes MgH2 desorption.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Zhipeng Li, Yiming Zhang, Haotian Guan, Sikai Meng, Yangfan Lu, Jin Wang, Guangsheng Huang, Xin Li, Jingqin Cui, Qian Li, Qichun Zhang, Baihua Qu
Summary: The SnO2/Ti3C2Tx composite electrode is fabricated by dispersing sodiophilic SnO2 nanoparticles on 2D Ti3C2Tx, providing acceptor sites for Na+ to control vaporization and dendrite growth. The composite electrode exhibits smooth morphology, stable Coulombic efficiency, and long stable cycles, thanks to highly sodiophilic sites and the confinement effect. The full cells assembled with Na0.6MnO2 also show excellent rate performance and cycling performance. These findings demonstrate the effectiveness of the acceptor sites and confinement effect provided by the SnO2/Ti3C2Tx composite, offering additional design freedom for SMBs.
Article
Chemistry, Physical
Manman Lu, Zijian Su, Yuanbo Zhang, Hanquan Zhang, Jia Wang, Qian Li, Tao Jiang
Summary: Manganese (Mn) was doped in MnFe2O4 crystal using solid-phase synthesis method. Under optimum conditions (pH = 3), the maximum removal rate and adsorption quantity of Cr(VI) on MnFe2O4 adsorbent were 92.54% and 5.813 mg/g, respectively. DFT calculation showed that the adsorption energy between HCrO4- and MnFe2O4 was -215.2 KJ/mol. Mn in MnFe2O4 plays an important role in the Cr(VI) removal process by providing adsorbing sites and acting as a reductant.
Article
Chemistry, Physical
Li Wang, Yuyuan Zhao, Xu Zhang, Qianwen Liu, Qun Luo, Zhihong Yu, Xiaohua Yang, Qian Li
Summary: This work investigates the influence of 2H and 3R phase content on the hydrogen storage and electrochemical properties of A5B19-type LaY2Ni10.6Mn0.5Al0.3 alloys. The results show that the 2H and 3R phases have similar hydrogen storage and electrochemical properties but different structural stability during cycling. The smaller volume expansion of the 2H phase leads to better structural and cycling stability.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Qun Luo, Meng Cong, Hongxia Li, Longfei Zhu, Hongcan Chen, Qian Li
Summary: In this paper, an effective method for Fe removal from Al-7Si alloys by adding Sn is proposed. The Fe content reduction in Sn reaches 33.8%, comparable to adding B. More Fe-rich compounds are deposited at the bottom after Sn addition. The β-Sn was found to attach to the β-Al9Fe2Si2 phase, leading to more deposition of β-Al9Fe2Si2 due to its higher density compared to the alloy.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Hu Yao, Guang Zeng, Qinfen Gu, Kazuhiro Nogita, Jing Guo, Qian Li
Summary: The influences of microstructure evolution induced by thermal-mechanical processing on the hydrogen storage performance of Mg-Ni-Gd-Y-Zn-Cu alloys were investigated. The extruded alloy showed higher hydrogen absorption capacity and faster hydrogen ab/desorption kinetics due to refined alpha-Mg grains and the presence of 14H-type LPSO phases. These findings have implications for the design and manufacturing of magnesium-based hydrogen storage materials.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Nanoscience & Nanotechnology
Wansen Ma, Zeming Qiu, Meng Wang, Chaowen Tan, Liwen Hu, Xuewei Lv, Qian Li, Jinzhou Li, Jie Dang
Summary: In this study, a novel high-entropy MXene (HE-MXene) Ti1.1V1.2Cr0.8Nb1.0Mo0.9C4Tx was successfully synthesized. Characterization methods confirmed its excellent chemical properties and demonstrated its high capacity and stability as a supercapacitor electrode. These findings provide support for the application of MXene in other fields.
SCRIPTA MATERIALIA
(2023)
Article
Chemistry, Applied
Wansen Ma, Zeming Qiu, Jinzhou Li, Liwen Hu, Qian Li, Xuewei Lv, Jie Dang
Summary: Developing efficient and low-cost non-noble metal-based bifunctional catalysts for hydrogen and oxygen evolution reactions in alkaline media is challenging but meaningful. The key to improving reaction efficiency is to enhance the catalyst's electronic structure for optimized adsorption of intermediates and reduced reaction energy barrier. In this research, a V-doped Co2P coupled with high-entropy MXene heterostructure catalyst was prepared and showed excellent HER and OER activity and long-term stability. This work provides new strategies for the application of high-entropy MXene and the design of novel non-noble metal-based bifunctional electrolytic water catalysts.
JOURNAL OF ENERGY CHEMISTRY
(2023)
Article
Metallurgy & Metallurgical Engineering
Li Qian, Sun Xuan, Luo Qun, Liu Bin, Wu Chengzhang, Pan Fusheng
Summary: Mg-based hydrogen storage materials have attracted attention for their high hydrogen storage density, abundant resources, and environmental friendliness. However, challenges such as slow kinetics, high absorption/desorption temperature, and poor cycling stability hinder their large-scale use. Recent developments in alloys, nano-structure control, catalytic modification, and multiphase composites have made progress in addressing these challenges. Further improvements are needed in hydrogen storage capacity, adsorption/desorption temperature, reaction rate, and cycling life.
ACTA METALLURGICA SINICA
(2023)
