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Medium-range order endows a bulk metallic glass with enhanced tensile ductility

Journal of Materials Science & Technology 2023年第28期159卷 10-20页

作者： Sinan Liu Weixia Dong Zhiqiang Ren Jiacheng Ge Shu Fu Zhenduo Wu Jing Wu Yu Lou Wentao Zhang Huaican Chen Wen Yin Yang Ren Joerg Neuefeind Zesheng You Ying Liu Xun-Li Wang Si Lan Herbert Gleiter Institute of Nanoscience School of Materials Science and EngineeringNanjing University of Science and TechnologyNanjing 210094China Department for Physics City University of Hong Kong83 Tat Chee AvenueKowloonHong Kong SARChina City University of Hong Kong Shenzhen Research Institute Shenzhen 518057China City University of Hong Kong(Dongguan) Dongguan 523000China Cryo-TEM center Southern University of Science and TechnologyShenzhen 518055China Spallation Neutron Source Science Center Institute of High Energy Physics(IHEP)Chinese Academy of Sciences(CAS)Dongguan 523808China Guangdong-Hong Kong-Macao Joint Laboratory for Neutron Scattering Science and Technology 1 Zhongziyuan RoadDalangDongguan 523803China Chemical and Engineering Materials Division Oak Ridge National LaboratoryOak RidgeTennessee37831USA

Developing ductile bulk metallic glasses(BMGs)can benefit from an in-depth understanding of the structure-property relation during plastic ***,endowing BMGs with tensile ductility in BMGs needs to reveal the response of critical structure units during ***,we report the experimental results of an in-situ synchrotron high-energy X-ray study of a Zr-based BMG under uniaxial tension after preprocessing by canning compression of the three-dimensional compressive stress *** is revealed that the canning-compressed BMG(CC-BMG)sample has better tensile ductility and higher ultimate strength than the as-cast sample,which possesses heterogeneous and loosely packed local struc-tures on medium-range *** experimental results revealed two stages of plastic deformation in the CC-BMGs compared with one stage of plastic deformation in the as-cast ***,the shift in the first sharp diffraction peak along the tension direction for the canning-compressed sample is substan-tially more pronounced than that of the as-cast ***,the real-space analysis illustrates a competition mechanism between the 2-atom and 3-atom connection modes on medium-range order during the plastic deformation of the ***,the ordering on the medium-range scale de-creases in the first plastic deformation stage but increases in the second plastic deformation ***-fore,a structural crossover phenomenon occurs in the CC-BMG during plastic *** results demonstrate a structure-property correlation for the CC-BMGs of heterogeneous medium-range ordered structures,which may be beneficial for endowing BMGs with ductility based on medium-range order engineering techniques.

关键词： Bulk metallic glass Medium-range order Tensile ductility structure-property relation

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Advances in theoretical calculations of organic thermoelectric materials

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Chinese Chemical Letters 2024年第8期35卷 112-127页

作者： Shaohua Zhang Liyao Liu Yingqiao Ma Chong-an Di Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China School of Chemical Sciences University of Chinese Academy of SciencesBeijing 100049China

Organic thermoelectric(OTE)materials and devices have garnered significant attention in the past decade for flexible and wearable *** to the numerous combinations of different backbones,side chains,and functional groups for polymer molecules,further efficient developments of high perfor-mance OTEs rely on reverse and rational molecular design as well as fundamental understanding to the structure-property relationship,which both require precise theoretical ***,many theo-retical efforts and progresses have been made to predict TE properties and develop high performance OTE ***,we present first the general methods and principles for OTE theoretical ***,the latest theoretical advances regarding the effects of molecular design,chemical dop-ing,ambipolar charge transport etc.,to TE conversion are carefully *** theoretical advances not only significantly deepen the fundamental understanding of OTEs,but also provide precise guidance to the molecular design of OTE ***,we propose several perspectives for future theoretical investigations of OTEs.

关键词： Organic thermoelectricity Theoretical study Organic semiconductor structure-property relation Single-molecular device

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High-rate electrochemical H_(2)O_(2) production over multimetallic atom catalysts under acidic–neutral conditions

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Carbon Energy 2024年第1期6卷 44-62页

作者： Yueyu Tong Jiaxin Liu Bing-Jian Su Jenh-Yih Juang Feng Hou Lichang Yin Shi Xue Dou Ji Liang Key Laboratory for Advanced Ceramics and Machining Technology of Ministry of Education School of Materials Science and EngineeringTianjin UniversityTianjinChina Institute for Superconducting and Electronic Materials University of WollongongInnovation CampusNorth WollongongNew South WalesAustralia Department of Electrophysics National Chiao Tung UniversityHsinchuTaiwanChina Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyangLiaoningChina Institute of Energy Materials Science University of Shanghai for Science and TechnologyShanghaiChina

Hydrogen peroxide(H_(2)O_(2))production by the electrochemical 2-electron oxygen reduction reaction(2e−ORR)is a promising alternative to the energy-intensive anthraquinone process,and single-atom electrocatalysts show the unique capability of high selectivity toward 2e−ORR against the 4e−*** extremely low surface density of the single-atom sites and the inflexibility in manipulating their geometric/electronic configurations,however,compromise the H_(2)O_(2) yield and impede further performance ***,we construct a family of multiatom catalysts(MACs),on which two or three single atoms are closely coordinated to form high-density active sites that are versatile in their atomic configurations for optimal adsorption of essential*OOH *** them,the Cox–Ni MAC presents excellent electrocatalytic performance for 2e−ORR,in terms of its exceptionally high H_(2)O_(2) yield in acidic electrolytes(28.96 mol L^(−1) gcat.^(−1) h^(−1))and high selectivity under acidic to neutral conditions in a wide potential region(>80%,0–0.7 V).Operando X-ray absorption and density functional theory analyses jointly unveil its unique trimetallic Co2NiN8 configuration,which efficiently induces an appropriate Ni–d orbital filling and modulates the*OOH adsorption,together boosting the electrocatalytic 2e−ORR *** work thus provides a new MAC strategy for tuning the geometric/electronic structure of active sites for 2e−ORR and other potential electrochemical processes.

关键词： hydrogen peroxide production multiatom catalysts operando X-ray adsorption spectrum reaction mechanism tendency structure-property relation

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Quenched-in liquid in glass

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Materials Futures 2023年第1期2卷 168-172页

作者： Qing Wang Ying-Hui Shang Yong Yang Laboratory for Microstructures Institute of MaterialsShanghai UniversityShanghai 200072People’s Republic of China Department of Mechanical Engineering College of EngineeringCity University of Hong KongKowloon TongKowloonHong KongPeople’s Republic of China Department of Materials Science and Engineering College of EngineeringCity University of Hong KongKowloon TongKowloonHong KongPeople’s Republic of China Department of Advanced Design and System Engineering College of EngineeringCity University of Hong KongKowloon TongKowloonHong KongPeople’s Republic of China

Glasses have long been considered as frozen liquids because of the similarity between their static amorphous *** the modern theories about glass transition suggest that glass transition may result from supercooling of a heterogeneous liquid that contains fast and slow regions,it remains unclear whether such a physical picture applies to metallic glasses,which are a densely packed solid glass that was once believed to be a vitrified homogeneous metallic ***,in the recent work published in Nature Materials,Chang et al provide compelling evidence to show that metallic glasses contain liquid-like atoms that behave as a high-temperature liquid in stress *** activated under cyclic loading,this quenched-in liquid results in a fast relaxation process,which is discovered in a variety of metallic *** results are important and deliver a strong message that metallic glasses have a dynamic microstructure containing liquid-and solid-like *** importantly,the outcome of their research provides physical insight into the nature of glass-transition in metallic glasses,and also helps unravel their structure-property relations.

关键词： glass transition metallic glasses structural heterogeneity structure-property relation

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