Article
Materials Science, Multidisciplinary
Yan-Kun Dou, Yong-Peng Zhao, Xin-Fu He, Jin Gao, Jin-li Cao, Wen Yang
Summary: The formation and migration energies of vacancy defects in three concentrated solid-solution alloys, TiVTa, TiVTa50, and TiVTaNb, were systematically studied using first-principle calculations. It was found that vacancy formation and migration were more difficult in TiVTaNb alloy compared to TiVTa and TiVTa50 alloys. The presence of a larger local lattice distortion in TiVTa alloy facilitated easier vacancy formation. Ti atoms tended to migrate to neighboring vacancies in all three alloys. The addition of Nb improved the migration barrier of atoms diffusing into vacancies in TiVTaNb alloy due to enhanced electron interactions and lattice distortion.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Chemistry, Physical
Jiayao Qin, Zhigao Liu, Wei Zhao, Dianhui Wang, Yanli Zhang, Yan Zhong, Xiaohui Zhang, Zhongmin Wang, Chaohao Hu, Jiangwen Liu
Summary: Hydrogen embrittlement causes material degradation in metal-hydrogen systems. Alloying with Ni can improve the stability and resistance to H embrittlement of VHx phases in pure V. The addition of Ni helps reduce the H trapping ability of vacancies and suppresses H retention in V.
Article
Chemistry, Physical
Youshan Yang, Lusheng Wang
Summary: The study investigates the site occupation of H atoms in ZrCo alloys using first principle calculations, revealing that H atoms tend to occupy the inter-tetrahedron space in ZrCo hydrides. Further electronic structure studies show that the stability of ZrCo hydrides is degraded, facilitating hydrogen release.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Abdalla Obeidat, Bilal Aladerah, Mohammad-Khair Qaseer
Summary: We studied the magnetic and electronic properties of L10-FePt alloy interstitial doped by oxygen or nitrogen using tetragonal distortion. The density functional theory from first principle was applied, and the generalized gradient approximation (GGA) of Perdew-Burke-Ernzerhof (PBE) was used. We found that the magnetocrystalline anisotropy (MCA) significantly increased for FePt:NPt, reaching a value of 3.879 meV, exceeding the pristine value. The anisotropy field (Ha), saturation magnetization (Ms), and the energy product (BH)max were close to the pristine value, and these parameters can be tuned for practical applications.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Nanoscience & Nanotechnology
Chao Yang, Yash Pachaury, Anter El-Azab, Janelle Wharry
Summary: Vacancies have no significant effect on martensitic transformation, while voids activate the transformation by inducing shear strain accumulation due to dislocation pileup. The larger the void, the more pronounced the effect.
SCRIPTA MATERIALIA
(2022)
Article
Chemistry, Physical
Sourav Mondal, Alessandro Lunghi
Summary: Paramagnetic defects in diamond and hexagonal boron nitride exhibit spin and optical properties that make them ideal for solid-state qubits. However, their coherence is limited by spin-phonon relaxation, and a complete understanding of this process is lacking. In this study, we use ab initio spin dynamics simulations to successfully reproduce the experimental temperature dependence of spin relaxation and coherence time. We find that low-frequency two-phonon modulations are responsible for spin relaxation and decoherence, and attribute the shorter coherence time to the vibrations in 2-dimensional materials. These findings provide insights into spin-phonon decoherence in solid-state qubits and facilitate the design of more efficient spin qubits.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Yong-Peng Zhao, Yan-Kun Dou, Xin-Fu He, Hui-qiu Deng, Lin-feng Wang, Wen Yang
Summary: The formation and diffusion behaviors of self-interstitial defects in TiVTa and TiVTaNb concentrated solid-solution alloys (CSAs) are systematically studied. Stability and formation energies differ in TiVTa-based CSAs and TiVTaNb alloys due to the local chemical environment and lattice distortion. The diffusivity of interstitials is lower in TiVTa-based CSAs compared to pure V, and preferential elemental diffusion is observed as a result of lattice distortion in TiVTa-based CSAs.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Yu Liu, Guangping Zheng
Summary: The dislocation plasticity of TiZr-based hexagonal close-packed (HCP) concentrated solid-solution alloys (CSAs) is investigated using a multiscale simulation approach. The addition of Y and Sc in TiZrHf CSAs significantly enhances dislocation-mediated slip. The multiscale simulation approach accurately predicts the mechanical properties of CSAs and elucidates the deformation mechanisms at atomic scales.
Article
Materials Science, Multidisciplinary
Shasha Huang, Jun Zhang, Yaoxu Xiong, Shihua Ma, Biao Xu, Shijun Zhao
Summary: Single-phase concentrated solid solution alloys (SP-CSAs) are promising candidates for structural materials in nuclear reactors. Recent studies have shown that local chemical ordering (LCO) plays an important role in defect evolution in these alloys. This study investigates the effects of LCO and order/disorder interface on defect evolution in NiFe CSAs.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
H. L. Zhang, D. D. Cai, X. Sun, H. Huang, S. Lu, Y. Z. Wang, Q. M. Hu, L. Vitos, X. D. Ding
Summary: Solid solution strengthening (SSS) plays an important role in alloy design, especially for single-phase alloys like high-entropy alloys (HEAs). The classical Labusch-Nabarro model and its expansions are widely used to study SSS in solid solution alloys, including conventional alloys (CAs) and HEAs. This study investigates the SSS effects in a series of Fe-based CAs and HEAs using the Labusch-Nabarro model and its expansions, deriving parameters from first-principles calculations and proposing fitting constants for predicting the hardness of these SSS alloys.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Yan-Kun Dou, Han Cao, Xin-Fu He, Jin Gao, Jin-li Cao, Wen Yang
Summary: The interactions between a 1/2 <110> {111} edge dislocation and a void in Fe10Ni20Cr and Fe33Ni33Cr concentrated solid-solution alloys were studied using molecular dynamics simulation. It was found that the dislocation motion becomes more difficult in Fe33Ni33Cr alloy due to larger fluctuations in stacking fault energy compared to Fe10Ni20Cr alloy. However, Fe33Ni33Cr alloy exhibits better irradiation hardening resistance than Fe10Ni20Cr alloy, especially at high temperatures.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Multidisciplinary
Fangzhou Zhao, Mark E. Turiansky, Audrius Alkauskas, Chris G. Van de Walle
Summary: Trap-assisted Auger-Meitner recombination is highlighted as a dominant nonradiative process in wide-band-gap materials, and a first-principles methodology is presented to determine the rates of this process in semiconductors or insulators due to defects or impurities.
PHYSICAL REVIEW LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Zhiwei Chen, Rui Wang, Yue Shu, Yeping Lin, Zhixiao Liu, Huiqiu Deng, Wangyu Hu, Tengfei Yang
Summary: The interaction processes of displacement cascades and edge dislocations in FeCoCrNi CSA and pure Ni were studied by molecular dynamics. It was found that edge dislocations in FeCoCrNi CSA have a stronger ability to absorb interstitials compared to pure Ni. The numbers of absorbed interstitials and vacancies in edge dislocations of FeCoCrNi CSA are essentially the same when the centers of displacement cascades coincide with edge dislocations. The molecular dynamics simulation results suggest that edge dislocations in CSAs can serve as weak biased sinks for the annihilation of irradiation-induced defects and enhancing the irradiation resistances of CSAs.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
N. Hashimoto, T. Fukushi, E. Wada, W-Y. Chen
Summary: Controlling the stacking fault energy can optimize the radiation resistance of FeCrNiMn-based concentrated solid solution alloys, with CoCrFeNiMn1.3 alloy having the highest stacking fault energy.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Multidisciplinary Sciences
Kaoru Ohno, Riichi Kuwahara, Thi Nu Pham, Swastibrata Bhattacharyya, Ryoji Sahara
Summary: The microstructures of Ti-V alloy were investigated using purely first-principles calculations. The results revealed the solid solution behavior, coexistence phases, and the presence of metastable mosaic-type microstructures.
SCIENTIFIC REPORTS
(2022)
Article
Public, Environmental & Occupational Health
Zheng Xu, Ru Liu, Liping Guo, Ziyi Gao, Zicheng Gao, Xiaowei Liu, Jieyun Li, Bin Li, Kehu Yang
Summary: This scientometric investigation provides a comprehensive analysis of the development and emerging research trends in bibliotherapy. The study identifies the leading countries and institutions in the field and highlights the hot topics of research, such as depression and anxiety. The findings of this study serve as a valuable reference for researchers in the field of bibliotherapy.
PSYCHOLOGY HEALTH & MEDICINE
(2023)
Article
Environmental Sciences
Yu Qin, Meixuan Li, Jiani Han, Gecheng Cui, Weiping Du, Kehu Yang
Summary: This study explored the research hotspots and trends of Kinesio Taping in the past decade through bibliometric analysis. The results revealed that pain relief, sports injury prevention and treatment, and proprioception enhancement for improved postural control were important research areas in the field of Kinesio Taping.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Medicine, Research & Experimental
Junjie Cao, Renzhi Pei, Ying Lu, Zhongzheng Zheng, Zhiyang Yuan, Daiyang Li, Pisheng Zhang, Xuhui Liu, Dong Chen, Xiaohong Du, Lieguang Chen, Shuangyue Li, Peipei Ye, Tiantian Wang
Summary: The study found that the modified antithymocyte globulin-post-transplant cyclophosphamide combination can decrease the risk of acute and chronic graft-versus-host disease and improve graft-versus-host disease and relapse-free survival in high-risk acute myeloid leukemia and myelodysplastic syndrome patients after allogeneic hematopoietic stem cell transplantation.
CURRENT RESEARCH IN TRANSLATIONAL MEDICINE
(2023)
Article
Biochemistry & Molecular Biology
Wenlin Lu, Xuhui Liu, Linghui Zhao, Shirong Yan, Qingyun Song, Cao Zou, Xun Li
Summary: This study investigated the role and mechanism of miR-22-3p in heart failure, and found that its overexpression inhibits cell activity and promotes cell apoptosis. MiR-22-3p increases the risk of heart failure damage by negatively regulating FURIN.
CHEMICAL BIOLOGY & DRUG DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Xu Chi, Qian Chen, Zhi-An Lan, Xirui Zhang, Xiong Chen, Xinchen Wang
Summary: Conjugated polymers (CPs) have received increasing attention in photocatalysis due to their stability and molecular tunability. In this study, a new efficient cyano (CN) engineering approach was proposed to enhance the photocatalytic performance of CPs. Three CP-based photocatalysts with different CN contents were synthesized to investigate the relationship between CN functionalization and photocatalytic activity. Experimental and theoretical studies revealed that CN functionalization strengthened the donor-acceptor (D-A) interaction, enhanced light absorption, charge separation/transfer efficiency, hydrophilicity of CPs, and facilitated the output of photoinduced electrons from CPs to Pt cocatalyst.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Plant Sciences
Hongling Zhang, Guiqiong Li, Min Jiang, Changling Zhao, Pengyu Zhao, Chen Wang, Guosong Wen, Feng Zhou, Wenhua Dongchen, Shaozhong Xu, Ting Mu, Fanlai Meng, Xinglei Xiao, Di Yang, Zhengjie Liu, Ya Zhou, Qin Xiong
Summary: The expression of flavonoid synthesis-related genes in Panax notoginseng stems shows multi-peak curves, and the distribution of total flavonoid and anthocyanin content in the stems is asymmetric, mainly concentrated in the upper parts. The correlations between gene expression and flavonoid accumulation are highly diverse.
ACTA PHYSIOLOGIAE PLANTARUM
(2023)
Review
Endocrinology & Metabolism
Liangying Hou, Qi Wang, Bei Pan, Rui Li, Yanfei Li, Juanjuan He, Tianzhu Qin, Liujiao Cao, Na Zhang, Changhao Cao, Long Ge, Kehu Yang
Summary: The study aimed to determine the effects of different exercise modalities in patients with type 2 diabetes mellitus. Results showed that various exercise modalities can improve glycemic control in diabetes patients, with supervised exercises being the most effective. Flexibility and balance exercises also have benefits, but the impact on TG levels remains unclear.
DIABETES-METABOLISM RESEARCH AND REVIEWS
(2023)
Article
Physics, Multidisciplinary
Xingxing Yang, Yang Li, Xin Guo, Meiling Ding, Jingxuan Yang
Summary: This paper proposes a strategy to reduce energy consumption by storing and transmitting regenerative energy of trains through multi-agent simulation. By optimizing the train operation time and dwell time, the traction energy consumption is reduced, and the accuracy of the simulation model is validated in a practical case study.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2023)
Review
Obstetrics & Gynecology
Liu Yang, Lufang Feng, Lijuan Huang, Xuejiao Li, Wenwen Qiu, Kehu Yang, Jie Qiu, Haihong Li
Summary: This study conducted a meta-analysis to identify the association between maternal factors and intrauterine growth retardation (IUGR), and found that smoking, primiparity, prepregnancy BMI < 18.5, poor gestational weight gain, pregnancy-induced hypertension, anemia, and hypoproteinemia were associated with IUGR. These findings could contribute to the development of risk prediction models and improve management and education for child-bearing or early pregnant women.
REPRODUCTIVE SCIENCES
(2023)
Review
Sport Sciences
Meng Xu, Chen Tian, Yong Wang, Shanshan Liang, Yiyun Wang, Xiuxia Li, Kehu Yang
Summary: This study conducted an umbrella review to summarize the evidence of associations between Pilates and multiple health outcomes, and evaluated the strength and validity of these associations. It found that Pilates can reduce body mass index and body fat percentage, relieve pain and disability, and improve sleep quality and balance. However, the certainty of the evidence was mostly low, and further high quality randomized controlled trials are needed to support these promising findings.
JOURNAL OF SCIENCE AND MEDICINE IN SPORT
(2023)
Article
Chemistry, Physical
Ye Ji, Xi-Lian Guo, Jia-Yu Yang, Hai-Han Zhang, Xu-Hui Liu, Ming-Xing Song, Zheng-Kun Qin, Jia Wang, Fu-Quan Bai
Summary: In this article, six novel heterocyclic Ir(III) complexes were designed and calculated using DFT and TD-DFT. The bands of the lowest-lying absorptions and lowest energy emissions, as well as the spectral properties, frontier molecular orbitals, and spin-orbital coupling values, were studied. These complexes exhibit low efficiency roll-off properties, which is significant for the development of OLEDs.
Article
Biochemistry & Molecular Biology
Guoshun Liu, Xuhui Liu, Xingdong Ma, Xiaoqi Tang, Xiaobin Zhang, Jianxia Dong, Yunfei Ma, Xiaobei Zang, Ning Cao, Qingguo Shao
Summary: Dual-ion batteries (DIBs) are a new type of energy storage device that store both anions and cations. Combining graphite cathodes with high-capacity silicon anodes can improve the energy density of DIBs.
Review
Emergency Medicine
Qi Zhou, Wenbo Meng, Yanhan Ren, Qinyuan Li, Marja A. Boermeester, Peter Muli Nthumba, Jennifer Rickard, Bobo Zheng, Hui Liu, Qianling Shi, Siya Zhao, Zijun Wang, Xiao Liu, Zhengxiu Luo, Kehu Yang, Yaolong Chen, Robert G. Sawyer
Summary: This study reviewed the effectiveness of intraoperative peritoneal lavage (IOPL) with saline in patients with intra-abdominal infections (IAIs). The findings suggest that IOPL with saline does not significantly reduce the risk of mortality, intra-abdominal abscess, incisional surgical site infection, postoperative complication, reoperation, and readmission when compared to non-IOPL. Therefore, routine use of IOPL with saline in patients with IAIs is not supported.
WORLD JOURNAL OF EMERGENCY SURGERY
(2023)
Article
Materials Science, Multidisciplinary
Lingjie Meng, Xuhui Liu, Qingxiang Hong, Yan Ji, Lingtao Wang, Qiuyang Zhang, Jie Chen, Changjiang Pan
Summary: In this study, a Zn2+-loaded polydopamine (PDA/Zn2+) coating was prepared on an alkali-heat-treated magnesium alloy surface inspired by mussel adhesion protein. The coating showed excellent wettability and selective promotion of albumin adsorption. Furthermore, the corrosion resistance, hemocompatibility, and endothelialization of the modified magnesium alloys were significantly improved with the increase of Zn2+ content in the coating.
Article
Oncology
Peng Xie, Siqing Wu, Zichong Kuo, Huidong Tian, Qiangsheng He, Yanfei Li, Ningning Mi, Linmin Hu, Haitong Zhao, Wenjing Li, Bin Xia, Jinqiu Yuan, Kehu Yang, Changhua Zhang, Yulong He
Summary: This study aimed to investigate the individual and joint effects of modifiable healthy lifestyle and metabolic health status on colorectal cancer incidence and mortality. The results showed that adherence to a healthy lifestyle could substantially reduce the burden of colorectal cancer, and behavioral lifestyle changes should be encouraged for colorectal cancer prevention even in participants with metabolic syndrome.
FRONTIERS IN ONCOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Deyong Zheng, Huihui Jin, Yucong Liao, Pengxia Ji
Summary: In this study, a highly stable and efficient catalyst, fluorine-doped Co3O4 (F-Co3O4), was developed for hydrogen production by water electrolysis. The F-Co3O4 catalyst exhibited a remarkable reduction in overpotential and demonstrated excellent stability for over 100 hours.
Article
Materials Science, Multidisciplinary
Ziwen Lv, Jintao Wang, Fengyi Wang, Jianqiang Wang, Fuquan Li, Hongtao Chen
Summary: Adding Cu6Sn5 nano particles can effectively inhibit the overgrowth of intermetallic compounds at the interfaces of solder joints in electronic devices, providing a solution to this issue. A new growth mechanism of intermetallic compounds at the interfaces was identified.
Article
Materials Science, Multidisciplinary
Jun Wang, Jiawei Chen, Wanru Liao, Fangyang Liu, Min Liu, Liangxing Jiang
Summary: A BiOI/AgI/Ag plasmonic heterostructure photocathode was successfully designed through electrodeposition, ion-exchange, and illumination methods. This photocathode exhibits superior performance in photoelectrochemical water splitting.
Article
Materials Science, Multidisciplinary
Xiaoxiao Liu, Xianxian Zhou, Xiaotao Ma, Qinbo Yuan, Shibin Liu
Summary: In this study, the authors propose a method to accelerate the reaction of polysulfides in lithium-sulfur batteries using a Ni@OC Mott-Schottky heterojunction as a catalyst. The experimental results demonstrate that the charge redistribution at the Ni@OC interface accelerates electron transfer and enhances catalytic activity, leading to improved reaction kinetics and battery performance.
Article
Materials Science, Multidisciplinary
Dayou Ma, Mohammad Rezasefat, Joziel Aparecido da Cruz, Sandro Campos Amico, Marco Giglio, Andrea Manes
Summary: The matrix has a significant effect on the impact resistance of composite materials. Replacing a brittle polymer with a more flexible one can improve impact resistance, but it poses challenges to standard testing methods. This study designs a new fixture for testing the low-velocity impact of soft composites and investigates the effect of the fixture on the mechanical performance.
Article
Materials Science, Multidisciplinary
Lingchang Wang, Qihang Yang, Huzhen Li, Ming Wei, Qian Wang, Zhenzhong Hu, Mengmeng Zhen
Summary: Bronze titanium dioxide (TiO2(B)) is a promising anode material for lithium-ion batteries due to its high specific capacity. However, its practical applications are hindered by poor conductivity and limited electrochemical kinetics. In this study, TiO2(B)-carbon nanosheets heterostructures are synthesized to enhance the cycling performance and rate capability of TiO2(B).
Article
Materials Science, Multidisciplinary
Atul Thakur, Ritesh Verma, Ankush Chauhan, Fayu Wan, Preeti Thakur
Summary: In this study, BaFe12O19 and BaFe12O19: Epoxy (50:50) nanocomposites were synthesized using the co-precipitation method. The structural information and material properties, such as crystallite size and electrical conductivity, were characterized by XRD, FESEM, EDX, and TEM techniques.
Article
Materials Science, Multidisciplinary
Jingyu Wu, Xinyan Ma, Yong Yang
Summary: A well-defined CoS2@NC(CS-500) hierarchical binder-free catalyst cathode is constructed through in-situ grown of ZIF-67 on carbon cloth and high-temperature carbonization. The cathode shows excellent reaction kinetics and electrochemical performance, providing inspiration for developing advanced Li-CO2 battery catalysts.
Article
Materials Science, Multidisciplinary
Svetlana M. Posokhova, Vladimir A. Morozov, Kirill N. Boldyrev, Dina Deyneko, Erzhena T. Pavlova, Bogdan I. Lazoryak
Summary: This study explores the impact of synthesis method and composition on the structure and luminescence properties of K5Eu1-xHox(MoO4)4 with the palmierite-type matrix. The co-doping of Eu3+ and Ho3+ ions plays a critical role in manipulating charge transfer and luminescence efficiency in the visible and infrared regions.
Article
Materials Science, Multidisciplinary
Jian Wang, Yeting Tao, Jingsheng Wang, Youtian Tao
Summary: A new electron-transport material iTPyBI-CN is developed through non-catalytic C-N coupling reaction. It exhibits better electroluminescence efficiency in organic light-emitting diodes compared to the commercial material TPBI, due to its twisted geometry and higher energy levels.
Article
Materials Science, Multidisciplinary
Tao Zhu, Feng Huang, Shuo Li, Yang Zhou
Summary: This article combines XRD analysis and microscopic structural observation to investigate the changes in limestone after high-temperature treatment. It finds that 500 degrees C is the critical temperature for crystalline and spatial arrangement changes in limestone, and the thermal conductivity, specific heat capacity, and heat storage coefficient gradually decrease after thermal treatment.
Article
Materials Science, Multidisciplinary
Muhammad Haekal Habibie, Fransiska Sri Herwahyu Krismastuti, Abdi Wira Septama, Faiza Maryani, Vivi Fauzia
Summary: This study focuses on the synthesis of zinc oxide nanostructure from zinc recovered from galvanization ash and highlights its potential as a sustainable source of zinc and as an antibacterial agent.
Article
Materials Science, Multidisciplinary
Jingyi Li, Yixin Xing, Wei Gu, Shousi Lu
Summary: In this study, PC@CaP microparticles were fabricated using biomimetic mineralization. The results showed that under environmental stress, PC@CaP exhibited improved stability and antioxidative activity, indicating its potential use in high-added value fields.
Article
Materials Science, Multidisciplinary
Yan Liu, Shunyou Chen
Summary: In this study, TNTs were used as a drug carrier and modified with ZIF-8 and silk fibroin to obtain a new drug loading platform. The results showed that this drug-loaded platform had a good drug release effect in vitro and could promote cell proliferation and osteogenic differentiation.
Article
Materials Science, Multidisciplinary
Chunhui Zhu, Wentao Wang, Qing Zhen, Xinning Huang, Shixin Li, Shaochang Wang, Xiaoping Ma, Xiaoxia Liu, Yalong Jiao, Kai Sun, Zhuangzhi Li, Huaixin Yang, Jianqi Li
Summary: A type of stacking fault is revealed in e-InSe crystal, which is associated with a small stacking-fault energy and shows exceptional plasticity.
