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Composition and size dependent torsion fracture of metallic glasses

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Journal of Materials Science & Technology 2021年第23期82卷 153-160页

作者： J.Dong J.Shen y.h.Sun h.B.Ke B.A.Sun W.h.Wang h.y.bai Institute of Physics Chinese Academy of SciencesBeijing100190PR China College of Materials Science and Opto Electronic Technology University of Chinese Academy of SciencesBeijing100049PR China Songshan Lake Materials Laboratory DongguanGuangdong523808PR China

The fracture of metallic glasses(MGs)of different compositions and sizes down to micrometers under torsion loading were systematically *** to the flat shear fracture along the circumferential plane as commonly supposed under torsion,we find that the torsion fracture of metallic glasses can deviate from flat shear plane,and the fracture angle is closely dependent on the composition and the size of MG *** a conversion method,we show that the torsion fracture of both millimeterand micrometer-sized MGs can be described by the ellipse fracture criterion as originally proposed for the tension *** deviation from the circumferential shear plane under torsion is further shown to intrinsically relate to the fracture toughness of *** tougher MG tends to have a smaller fracture angle with respect to the maximum shear plane,and vice versa,indicating a correlation between the fracture toughness and pressure/normal stress sensitivity in *** results provide new insights on the fracture mechanism and are helpful to design and control the deformation and fracture behavior of MGs under torsion loading.

关键词： Metallic glasses Torsion fracture Pressure sensitivity Fracture toughness

Unusually thick shear-softening surface of micrometer-size metallic glasses

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The Innovation 2021年第2期2卷 174-182页

作者： J.Dong y.huan B.huang J.yi y.h.Liu B.A.Sun W.h.Wang h.y.bai Institute of Physics Chinese Academy of SciencesBeijing 100190China College of Materials Science and Opto-Electronic Technology University of Chinese Academy of SciencesBeijing 100049China State Key Laboratory of Nonlinear Mechanics(LNM) Institute of MechanicsChinese Academy of SciencesBeijing 100190China Institute of Materials School of Materials Science and EngineeringShanghai UniversityShanghai 200444China Songshan Lake Materials Laboratory DongguanGuangdong 523808China

The surface of glass is crucial for understanding many fundamental processes in glassy solids.A common notion is that a glass surface is a thin layer with liquid-like atomic dynamics and a thickness of a few tens of ***,we measured the shear modulus at the surface of both millimeter-size and micrometer-size metallic glasses(MGs)through high-sensitivity torsion *** found a pronounced shear-modulus softening at the surface of *** with the bulk,the maximum decrease in the surface shear modulus(G)for the micro-scale MGs reaches~27%,which is close to the decrease in the G upon glass transition,yet it still behaves ***,the surface thickness estimated from the shear-modulus softening is at least 400 nm,which is approximately one order of magnitude larger than that revealed from the glass *** unusually thick surface is also confirmed by measurements using X-ray nano-computed tomography,and this may account for the brittle-to-ductile transition of the MGs with size *** unique and unusual properties at the surface of the micrometer-size MGs are physically related to the negative pressure effect during the thermoplastic formation process,which can dramatically reduce the density of the proximate surface region in the supercooled liquid state.

关键词： glass surface shear modulus torsion metallic glasses

Superconductivity Bordering Rashba Type Topological Transition

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Superconductivity Bordering Rashba Type Topological Transiti...

Ideal Bi‑Based hybrid Anode Material for Ultrafast Charging of Sodium‑Ion Batteries at Extremely Low Temperatures

中国晶体学会第六届学术年会暨会员代表大会（极端条件晶体材料分会）

作者： M.L.Jin F.Sun L.y.Xing S.J.Zhang S.M.Feng P.P.Kong W.M.Li X.C.Wang J.L.Zhu y.W.Long h.y.bai C.Z.Gu R.C.yu W.G.yang G.y.Shen y.S.Zhao h.K.Mao C.Q.Jin Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of Sciences hiPSEC Department of Physics and AstronomyUniversity of Nevada at Las Vegas high Pressure Synergetic Consortium (hPSynC) & high Pressure Collaborative Access Team (hPCAT) Geophysical LaboratoryCarnegie Institution of Washington Center for high Pressure Science & Technology Advanced Research (hPSTAR)

Strong spin orbital interaction(SOI)can induce unique quantum phenomena such as topological insulators,the Rashba effect,or p-wave *** these three quantum phenomena into a single compound has important scientific *** ...

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Nano-Micro Letters 2025年第3期17卷 152-167页

作者： Jie bai Jian hui Jia yu Wang Chun Cheng yang Qing Jiang Key Laboratory of Automobile Materials(Jilin University) Ministry of EducationSchool of Materials Science and EngineeringJilin UniversityChangchun 130022People’s Republic of China

Sodium-ion batteries have emerged as competitive substitutes for low-temperature applications due to severe capacity loss and safety concerns of lithium-ion batteries at−20°C or ***,the key capability of ultrafast charging at ultralow temperature for SIBs is rarely ***,a hybrid of Bi nanoparticles embedded in carbon nanorods is demonstrated as an ideal material to address this issue,which is synthesized via a high temperature shock *** a hybrid shows an unprecedented rate performance(237.9 mAh g^(−1)at 2 A g^(−1))at−60℃,outperforming all reported SIB anode *** with a Na_(3)V_(2)(PO_(4))_(3)cathode,the energy density of the full cell can reach to 181.9 Wh kg^(−1)at−40°*** on this work,a novel strategy of high-rate activation is proposed to enhance performances of Bi-based materials in cryogenic conditions by creating new active sites for interfacial reaction under large current.

关键词： Bi nanoparticles high temperature shock high-rate activation Ultrafast charging Low-temperature sodium-ion batteries

Boosting bidirectional sulfur conversion enabled by introducing boron-doped atoms and phosphorus vacancies in Ni2P for lithium-sulfur batteries

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Journal of Energy Chemistry 2025年第1期100卷 760-769页

作者： Lin Peng yu bai hang Li Meixiu Qu Zhenhua Wang Kening Sun Advanced Research Institute of Multidisciplinary Science Beijing Institute of Technology Beijing Key Laboratory of Chemical Power Source and Green Catalysis School of Chemistry and Chemical Engineering Beijing Institute of Technology

Lithium-sulfur （Li-S） batteries have gained great attention due to the high theoretical energy density and low cost,yet their further commercialization has been obstructed by the notorious shuttle effect and sluggish redox ***,we supply a strategy to optimize the electron structure of Ni2P by concurrently introducing B-doped atoms and P vacancies in Ni2P （Vp-B-Ni2P）,thereby enhancing the bidirectional sulfur *** study indicates that the simultaneous introduction of B-doped atoms and P vacancies in Ni2P causes the redistribution of electron around Ni atoms,bringing about the upward shift of d-band center of Ni atoms and effective d-p orbital hybridization between Ni atoms and sulfur species,thus strengthening the chemical anchoring for lithium polysulfides （LiPSs） as well as expediting the bidirectional conversion kinetics of sulfur ***,theoretical calculations reveal that the incorporation of B-doped atoms and P vacancies in Ni2P selectively promotes Li2S dissolution and nucleation ***,the Li-S batteries with Vp-B-Ni2P-separators present outstanding rate ability of 777 m A h g-1at 5 C and high areal capacity of 8.03 mA h cm-2under E/S of 5μL mg-1and sulfur loading of 7.20 mg *** work elucidates that introducing heteroatom and vacancy in metal phosphide collaboratively regulates the electron structure to accelerate bidirectional sulfur conversion.

关键词： Lithium sulfur batteries

high-throughput screening of CO_(2) cycloaddition MOF catalyst with an explainable machine learning model

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Green Energy & Environment 2025年第1期10卷 132-138页

作者： Xuefeng bai yi Li yabo Xie Qiancheng Chen Xin Zhang Jian-Rong Li Beijing Key Laboratory for Green Catalysis and Separation and Department of Chemical Engineering College of Materials Science&EngineeringBeijing University of TechnologyBeijing100124China

The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design ***-throughput screening of catalytic performance is feasible since the large MOF structure database is *** this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition *** descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification *** feature contribution was further evaluated with ShAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were *** them,MOF-76(y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.

关键词： Metal-organic frameworks high-throughput screening Machine learning Explainable model CO_(2)cycloaddition

Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material

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Journal of Energy Chemistry 2025年第1期100卷 259-272页

作者： Da Wan Shuwei Tang Shulin bai Xiaodong Li Peng Ai Wanrong Guo Tuo Zheng College of Materials Science and Engineering Liaoning Technical University Faculty of Chemistry Northeast Normal University

Layered rare-earth metal oxides, harnessing the dual properties of oxides and two-dimensional layered materials, exhibit remarkable thermal stability and quantum confinement effects. Therefore, this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound. The coexistence of weak interlayer van der Waals interactions, robust intralayer ionic bonding, and partial covalent bonding leads to remarkable bonding heterogeneity, which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction. The weakened chemical bonds induced by the antibonding states, together with the rattling-like behavior of the Zn atom, culminate in the profound anharmonicity in the layered NdZnSbO compound. The weakening bond and heavy element contribute to the softness of phonon modes, which significantly diminishes the phonon group velocity. The redistribution-dominated four-phonon scattering process spans a large optical gap, which effectively reduces the lattice thermal conductivity. The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the heyd-Scuseria-Ernzerhof(hSE06) functional in combination with spin–orbit coupling(SOC) effect. The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy, thus amplifying the power factor. Consequently, an optimal figure-of-merit(ZT) of 3.40 at 900 K is achieved for the n-type NdZnSbO compound. The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.

关键词： Bond strength (chemical)

Deciphering the role of mth2O2 in hepatic ischemia-reperfusion injury mechanisms with low-background super-resolution fluorogenic probe

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Science China Chemistry 2025年第1期68卷 297-307页

作者： Bin Fang Limin Wang haoqin Li Jiaxin Zhang yang Ding Pan Pan Li Bo Peng hua bai Lin Li Frontiers Science Center for Flexible Electronics Xi'an Institute of Flexible Electronics (IFE) and Xi'an Institute of Biomedical Materials &Engineering Northwestern Polytechnical University Institute of Flexible Electronics (IFE Future Technologies) Xiamen University

hepatic ischemia-reperfusion injury（hIRI） is characterized by mitochondrial dysfunction and oxidative stress. Monitoring mitochondrial hydrogen peroxide（mth2O2） levels in real-time through super-resolution imaging is crucial for elucidating its distribution in live cells and its mechanism of action during hIRI. however, low-background fluorogenic probes have been overlooked in the context of super-resolution imaging. In this study, we developed a low-background fluorogenic probe（MitoWG） with the potential for super-resolution morphology-correlated mitochondrial identification to track the fluctuates of mth2O2in hIRI. Activation of the desirable fluorescence properties of the probe by mth2O2was confirmed using structural illumination microscopy（SIM）, enabling high-quality mitochondrial imaging with exceptional specificity and *** in mth2O2levels were successfully observed in both cellular and rat models of hIRI. Furthermore, we associated the decline in mitochondrial redox homeostasis with accelerated mth2O2production during hIRI, which triggered mitophagy deficiency and led to cell death. In conclusion, Mito-WG possesses excellent photophysical and low-background properties for SIM imaging, making it a promising tool for mth2O2tracking in hIRI research and clinical diagnosis.

关键词： hepatic ischemia-reperfusion injury low-background mth2O2-activatable super-resolution imaging fluorogenic probe

hypidone hydrochloride(yL-0919)ameliorates functional deficits after traumatic brain injury in mice by activating the sigma-1 receptor for antioxidation

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Neural Regeneration Research 2025年第8期20卷 2325-2336页

作者： yafan bai hui Ma yue Zhang Jinfeng Li Xiaojuan hou yixin yang Guyan Wang yunfeng Li Department of Anesthesiology Beijing Tongren HospitalCapital Medical UniversityBeijingChina Beijing Institute of Basic Medical Sciences BeijingChina hebei North University ZhangjiakouHebei ProvinceChina Beijing Institute of Pharmacology and Toxicology State Key Laboratory of Toxicology and Medical CountermeasuresBeijing Key Laboratory of NeuropsychopharmacologyBeijingChina

Traumatic brain injury involves complex pathophysiological mechanisms,among which oxidative stress significantly contributes to the occurrence of secondary *** this study,we evaluated hypidone hydrochloride(yL-0919),a self-developed antidepressant with selective sigma-1 receptor agonist properties,and its associated mechanisms and targets in traumatic brain *** experiments to assess functional deficits were followed by assessment of neuronal damage through histological analyses and examination of blood-brain barrier permeability and brain ***,we investigated the antioxidative effects of yL-0919 by assessing the levels of traditional markers of oxidative stress in vivo in mice and in vitro in hT22 ***,the targeted action of yL-0919 was verified by employing a sigma-1 receptor antagonist(BD-1047).Our findings demonstrated that yL-0919 markedly improved deficits in motor function and spatial cognition on day 3 post traumatic brain injury,while also decreasing neuronal mortality and reversing blood-brain barrier disruption and brain ***,yL-0919 effectively combated oxidative stress both in vivo and in *** protective effects of yL-0919 were partially inhibited by *** results indicated that yL-0919 relieved impairments in motor and spatial cognition by restraining oxidative stress,a neuroprotective effect that was partially reversed by the sigma-1 receptor antagonist ***-0919 may have potential as a new treatment for traumatic brain injury.

关键词： antidepressant drug blood-brain barrier cognitive function hypidone hydrochloride(yL-0919) neurological function nuclear factor-erythroid 2 related factor 2 oxidative stress sigma-1 receptor superoxide dismutase traumatic brain injury