Article
Nanoscience & Nanotechnology
Yingdong Zhang, Fusen Yuan, Fuzhou Han, Muhammad Ali, Wenbin Guo, Jie Ren, Geping Li, Chengze Liu, Hengfei Gu, Gaihuan Yuan
Summary: The direct evidence of stress-induced face-centered cubic (FCC) zirconium was reported for the first time using in-situ electron backscatter diffraction (EBSD) and indentation observation. Two orientation relations (OR) (B-type and P type) between hexagonal close-packed (HCP) and FCC phases were detected, with the rotation axis and angle identified as [101] and 52.1 degrees, respectively. Mechanisms of HCP -> FCC phase transformation involve partial dislocation gliding theory and shuffle displacement.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Article
Chemistry, Physical
Fabien Pascale, Philippe D'Arco, Roberto Dovesi
Summary: This study investigates the stability and magnetic properties of different crystal phases of KMnF3 perovskite using quantum mechanics, revealing that the orthorhombic phase is more stable than the tetragonal phase, which in turn is more stable than the cubic phase. The transition from cubic to tetragonal to orthorhombic is accompanied by a volume reduction, and the mechanism of stabilization of the antiferromagnetic solution compared to the ferromagnetic one is discussed.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Caihong He, Chaoqun Ma, Jing Xia, Huaifang Zhang, Sumei Han, Yahui Tian, An-Liang Wang, Xiangmin Meng, Wenbin Cao, Qipeng Lu
Summary: Iridium-based intermetallic compounds (IMCs) with adjusted crystal structure and optimized configurations of catalytic active sites exhibit superior catalytic activity and durability in water splitting, reducing the required amount of iridium. They have important research and application value.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Qing Yao, Sheng-Yao Lv, Zhiyong Yu, Yu-Chung Chang, Chih-Wen Pao, Zhiwei Hu, Li-Ming Yang, Xiaoqing Huang, Qi Shao, Jianmei Lu
Summary: A unique core-shell structure of structurally disordered Cu(2)O (core) and fcc Ru (shell) (Cu2O@Ru-fcc) was successfully prepared via a facile chemical method. The fcc Ru structure of Cu2O@Ru-fcc showed good thermal stability and superior electrocatalytic performance in hydrogen evolution and hydrogen oxidation reactions, highlighting the potential of designing fcc Ru nanocrystals with favorable properties and promising applications.
Article
Pharmacology & Pharmacy
Adrianna Skwira, Adrian Szewczyk, Rafal Sadej, Magdalena Prokopowicz
Summary: We have successfully synthesized bifunctional bioglass (BG) using a novel, preoptimized, rapid one-pot synthesis. The experiment results showed that the BG promotes osteoblast adhesion and differentiation, as well as exhibits excellent antibacterial properties. Therefore, the BG has the potential to be used as a material for bone tissue regeneration and drug delivery.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Physics, Applied
Md Nur K. Alam, S. Clima, B. J. O'Sullivan, B. Kaczer, G. Pourtois, M. Heyns, J. Van Houdt
Summary: A first-principles study of native point defects in various phases of Hafnia (HfO2) was conducted, with results showing that the trap depth of oxygen vacancies has little variation among different phases and reasonable agreement with experimental measurements.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Juntao Zhang, Jiabo Le, Yuanting Dong, Lingzheng Bu, Ying Zhang, Jun Cheng, Leigang Li, Xiaoqing Huang
Summary: This study developed a method for preparing efficient pH-universal hydrogen evolution reaction electrocatalysts, successfully preparing fcc-structured Ru-copper hollow urchin-like nanospheres, and demonstrated outstanding performance under different conditions.
SCIENCE CHINA-CHEMISTRY
(2022)
Article
Physics, Multidisciplinary
Baser Tambas
Summary: The analytic expressions for approximate spontaneous magnetization in simple-cubic and body-centered-cubic Ising lattices have recently been obtained using a new approach that combines the Callen-Suzuki identity with a heuristic odd-spin correlation magnetization relation. By applying this approach, we also examine an approximate analytic expression for spontaneous magnetization in the face-centered-cubic Ising lattice. Our findings demonstrate that the results obtained from the analytic relation in this study are highly consistent with those derived from Monte Carlo simulations.
Article
Multidisciplinary Sciences
Alexandra M. Goryaeva, Christophe Domain, Alain Chartier, Alexandre Dezaphie, Thomas D. Swinburne, Kan Ma, Marie Loyer-Prost, Jerome Creuze, Mihai-Cosmin Marinica
Summary: It has been commonly believed that defects in face-centred cubic metals form larger dislocation loops through the coalescence of interstitial dumbbells. However, this study reveals that interstitial atoms in these metals actually cluster into compact 3D inclusions of A15 Frank-Kasper phase before forming dislocation loops. These A15 nano-phase inclusions then act as a source for prismatic or faulted dislocation loops. This discovery provides a better understanding of the complex mechanisms behind interstitial defect formation in metals.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
David Funes Rojas, Mewael Isiet, Mauricio Ponga
Summary: In this work, dynamic recrystallization of nano-and micro-particles is investigated through high-velocity impact simulations. The results reveal that face-centered cubic particles recrystallize upon reaching a critical velocity, generating high misorientation angle grains. The pressure wave decay leads to grain size reduction and the formation of a new microstructure with spatial gradients within the particles. This behavior is universal for six representative face-centered cubic materials.
MECHANICS OF MATERIALS
(2022)
Article
Metallurgy & Metallurgical Engineering
Shen Wang, Da LI, Jun Xiong
Summary: Machine learning models were used to predict the elastic properties of face-centered-cubic high-entropy alloys. The data set consisted of 186 samples from first-principles calculations. The goodness-of-fit values (R2) for predicted bulk modulus and shear modulus in the test set were 0.81 and 0.84, respectively. According to the results, among the face-centered-cubic high-entropy alloys with equal components, CoNiCuMoW HEAs have the largest bulk modulus, shear modulus, elastic modulus, and good ductility (G/B <= 0.57). The first-principles calculation results show that the elastic anisotropy of (CoNiCuMo)1-xWx HEAs increases and ductility decreases with increasing W content. The analysis of charge density difference reveals obvious charge accumulation at W-W and W-Mo bonds, indicating the formation of directional covalent bonds between W atoms and their neighboring atoms.
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA
(2023)
Article
Materials Science, Multidisciplinary
Zhi-Hui Wen, Dong-Wei Wang, Li Ma
Summary: Inspired by the face-centered cubic crystal structure, a new ultra-lightweight composite sandwich panel with a face-centered cubic core (CSPFCC) is proposed, demonstrating excellent sound insulation and mechanical properties. Experimental and numerical studies show that CSPFCC outperforms traditional sandwich structures, with numerical analysis revealing the influence of various factors on its acoustic properties. Additionally, comparison with a composite quadrilateral honeycomb sandwich structure indicates the superior sound insulation performance and quasi-isotropic properties of CSPFCC, providing valuable insights for further research and engineering applications.
MECHANICS OF ADVANCED MATERIALS AND STRUCTURES
(2021)
Article
Materials Science, Multidisciplinary
M. S. Szczerba, M. J. Szczerba
Summary: Inverse temperature dependences of the detwinning stress were observed in face-centered cubic deformation twins in Cu-8at.%Al alloy. The detwinning stress increased with temperature when the pi detwinning mode was involved, but decreased when the pi/3 mode was involved. The dual effect of temperature on the detwinning stress was due to the reduction of internal stresses pre-existing within the deformation twins. The complete reduction of internal stresses at about 530 degrees C led to the equivalence of the critical stresses of different detwinning modes and a decrease in the yield stress anisotropy of the twin/matrix structure.
Article
Engineering, Mechanical
Pei Geng, Qizhi Wang
Summary: In this study, a mechanical model of a body-bar-plate structure considering the plastic damage mechanism is proposed. The damage evolution law and elastoplastic constitutive equations and damage constitutive equations are derived for the face-centered cubic (FCC) structure under multi-axial cyclic loading. The relationship between fatigue performance and microstructure is investigated, and a damage mechanics-finite element method (FEM) method considering damage evolution is proposed. The simulation results are in agreement with experimental data, demonstrating the accuracy of the proposed model and method.
INTERNATIONAL JOURNAL OF FATIGUE
(2022)
Article
Metallurgy & Metallurgical Engineering
Hai-Feng Zhang, Hai-Le Yan, Feng Fang, Nan Jia
Summary: This study investigates the reverse transformation mechanism in high-entropy alloys (HEAs) under deformation using atomic simulations. The effect of sample aspect ratio on the reverse transformation is studied, and the micromechanical behavior of different materials is compared. The results show that the stacking fault energy plays a major role in activating different deformation mechanisms, while lattice distortion in HEAs does not significantly affect the activation of deformation systems.
ACTA METALLURGICA SINICA-ENGLISH LETTERS
(2022)
Article
Energy & Fuels
Di Bao, Xiangping Zhang, Haifeng Dong, Shaojuan Zeng, Dawei Shang, Suojiang Zhang
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2018)
Article
Chemistry, Physical
Qi Zhang, Haixia Zhong, Fanlu Meng, Di Bao, Xinbo Zhang, Xiaolin Wei
Article
Chemistry, Physical
Hai-xia Zhong, Qi Zhang, Jun Wang, Xin-bo Zhang, Xiao-lin Wei, Zhi-jian Wu, Kai Li, Fan-lu Meng, Di Bao, Jun-min Yan
Article
Chemistry, Physical
Miao-Miao Shi, Di Bao, Si-Jia Li, Ba-Ri Wulan, Jun-Min Yan, Qing Jiang
ADVANCED ENERGY MATERIALS
(2018)
Article
Chemistry, Physical
Xiao-Yang Yang, Ji-Jing Xu, Zhi-Wen Chang, Di Bao, Yan-Bin Yin, Tong Liu, Jun-Min Yan, Da-Peng Liu, Yu Zhang, Xin-Bo Zhang
ADVANCED ENERGY MATERIALS
(2018)
Article
Chemistry, Multidisciplinary
Yue Wang, Miao-miao Shi, Di Bao, Fan-lu Meng, Qi Zhang, Yi-tong Zhou, Kai-hua Liu, Yan Zhang, Jia-zhi Wang, Zhi-wen Chen, Da-peng Liu, Zheng Jiang, Mi Luo, Lin Gu, Qing-hua Zhang, Xing-zhong Cao, Yao Yao, Min-hua Shao, Yu Zhang, Xin-Bo Zhang, Jingguang G. Chen, Jun-min Yan, Qing Jiang
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2019)
Article
Chemistry, Multidisciplinary
Xiaosong Shen, Yueyang Gao, Yue Sun, Di Bao, Fei Xu, Yexiang Cui, Huaiyuan Wang, Yanji Zhu, Haichao Huang
Summary: The study demonstrated that by introducing rigid groups into the main chain of epoxy resin, the molecular structure was altered to enhance thermal conductivity. Addition of expanded graphite further increased the thermal conductivity significantly. The modified epoxy resin also showed excellent corrosion resistance in harsh environments, making it a promising heat conduction material.
Article
Nanoscience & Nanotechnology
Haolei Geng, Jianwen Peng, Sicheng Yuan, Dan Lin, Meng Zhang, Fei Xu, Di Bao, Huaiyuan Wang
Summary: A novel superhydrophilic coating with hybrid nanostructures was developed based on bioinspired methods, which formed a robust water film on the surface to achieve excellent wax inhibition and wear resistance. The coating exhibited ultra-high wax inhibition efficiency and durable superhydrophilicity.
ACS APPLIED NANO MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Yueyang Gao, Di Bao, Minghang Zhang, Yexiang Cui, Fei Xu, Xiaosong Shen, Yanji Zhu, Huaiyuan Wang
Summary: Due to the increasing power density of miniaturized and high-frequency electronic devices, flexible thermal interface materials (TIMs) with EMI shielding property are urgently needed. Carbon-based TIMs with ultrahigh thermal conductivity have garnered attention, but face production restrictions due to technical difficulties. A unique double self-assembly strategy inspired by millefeuille cakes has been demonstrated for fabricating TIMs with superior EMI shielding performance, achieving a balance between thermal conduction and EMI shielding effectiveness.
Article
Chemistry, Physical
Yan Zhang, Jia-Zhi Wang, Kai Li, Miao-Miao Shi, Zi Wen, Meng-Gai Jiao, Di Bao
Summary: Ammonia is considered an important chemical and potential energy source. In this study, we found that by doping Co atoms, the Co-LNO catalyst with a high spin configuration demonstrated excellent performance in the electrocatalytic nitrogen reduction reaction.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Yang-feng Cui, Ren-fei Cao, Jia-yi Du, Zhen-bang Zhuang, Zi-long Xie, Qing-shuang Wang, Di Bao, Wan-qiang Liu, Yun-hai Zhu, Gang Huang
Summary: Aqueous Zn-based batteries exhibit excellent cycling performance at high rates but show poor recyclability at low rates. It is found that this inconsistency is caused by the reconstructed electrode/electrolyte interface at high rates, where a compact electrical double layer (EDL) and tightly absorbed Zn2+ ions on the Zn electrode surface lead to the formation of corrosion-resistant Zn deposits.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Youcheng Xiao, Mengjiao Wang, Di Bao, Zhen Wang, Fangjun Jin, Yaowen Wang, Tianmin He
Summary: Fuel electrode-supported tubular protonic ceramic cells (FETPCCs) with BaZr0.4Ce0.4Y0.15Zn0.05O3-delta (BZCYZ) membrane electrolyte were fabricated by slip casting and dip-coating processes. The FETPCCs exhibited peak power densities of 151-191 mW·cm(-2) at 550-700 degrees C in protonic ceramic fuel cell (PCFC) mode and current densities of 418-654 mA·cm(-2) at 600-700 degrees C in protonic ceramic electrolysis cell (PCEC) mode. The electrode surface reactions influenced the electrolytic rate-limiting step of the PCEC model.
Article
Chemistry, Physical
Yabin Shen, Xiuyun Zhang, Licheng Wang, Dongyu Zhang, Di Bao, Dongming Yin, Limin Wang, Yong Cheng, Gang Huang
Summary: A universal multi-electron surface engineering strategy using Gd2O3 coating is developed to enhance the lithium storage properties and thermal stability of high-voltage lithium layered oxide (LLO) cathodes. The Gd2O3 coating reduces phase transition reactions, mechanical degradation, oxidative decomposition of electrolyte, and interface phase transition, resulting in improved capacity retention and voltage decay.
ENERGY STORAGE MATERIALS
(2023)
Article
Chemistry, Physical
Ke Bi, Yue Wang, Da-Ming Zhao, Jia-Zhi Wang, Di Bao, Miao-Miao Shi
Summary: An efficient Cu2S-In2S3 heterostructure catalyst was developed for photo-electrocatalytic nitrogen reduction reaction, with quantified micro parameters that are of great significance for improving performance. The use of rare earth fluoride BaGdF5:30%Yb3+, 5%Er3+ (UCNP) material as an auxiliary light absorber further broadened sunlight absorption range and reduced energy consumption in the ammonia reaction.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Chemistry, Physical
Yun-Hai Zhu, Xu Yang, Di Bao, Xiao-Fei Bie, Tao Sun, Sai Wang, Yin-Shan Jiang, Xin-Bo Zhang, Jun-Min Yan, Qing Jiang