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Faceted interfaces: a key feature to quantitative understanding of transformation morphology

npj Computational Materials 2016年第1期2卷 44-57页

作者： Wen-Zheng Zhang xin-fu gu fu-Zhi Dai School of Materials Science and Engineering Tsinghua UniversityBeijingChina Institute for Materials Research Tohoku UniversitySendaiJapan Science and Technology on Advanced functional Composite Laboratory Aerospace Research Institute of Materials and Processing TechnologyBeijingChina

Faceted interfaces are a typical key feature of the morphology of many microstructures generated from solid-state phase ***,prediction and simulation of this faceted morphology remain a challenge,especially for systems where irrational orientation relationships(ORs)between two phases and irrational interface orientations(IOs)are *** terms of structural singularities,this work suggests an integrated framework,which possibly encompasses all candidates of faceted *** structural singularities are identified from a matching pattern,a dislocation structure and/or a ledge *** resultant singular interfaces have discrete IOs,described with low-index g’s(rational orientations)and/orΔg’s(either rational or irrational orientations).Various existing models are grouped according to their determined results regarding the OR and IO,and the links between the models are clarified in the integrated *** of defect types as far as possible in a dominant singular interface often exerts a central restriction on the *** irrational IO is usually due to the elimination of dislocations in one direction,i.e.,an O-line *** methods using both three-dimensional and two-dimensional models for quantitative determinations of O-line interfaces are reviewed,and a detailed example showing the calculation for an irrational interface is *** association between structural singularities and local energy minima is verified by atomistic calculations of interfacial energies in fcc/bcc alloys where it is found that the calculated equilibrium cross-sections are in a good agreement with observations from selected alloys.

关键词： transformation rational interface

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Solute Clusters/Enrichment at the Early Stage of Ageing in Mg-Zn-Gd Alloys Studied by Atom Probe Tomography

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Acta Metallurgica Sinica(English Letters) 2019年第2期32卷 187-193页

作者： xin-fu gu Tadashi furuhara Leng Chen Ping Yang School of Materials Science and Engineering University of Science and Technology Beijing Institute for Materials Research Tohoku University

Three-dimensional distribution of solute elements in an Mg–Zn–Gd alloy during ageing process is quantitatively characterized by three-dimensional atom probe(3DAP) tomography. Based on the radius distribution function, it is found that Zn–Gd solute pairs in Mg matrix appear mainly at two peaks at early stage of ageing, and the separation distance between Zn and Gd atoms could be well rationalized by the first-principle calculation. Moreover, the fraction of Zn–Gd solute pairs increases first and then decreases due to the precipitation of long-period stacking ordered(LPSO) structures. Both the composition of the structural unit in LPSO structure and the solute enrichment around it are quantified. It is found that Zn and Gd elements are synchronized in the LPSO structure, and solute segregation of pure Zn or Gd is not observed at the transformation front of the LPSO structure in this alloy. In addition, the crystallography of transformation front is further determined by 3DAP data.

关键词： Magnesium alloy Long-period stacking ordered(LPSO) Atomic cluster Three-dimensional atom probe(3DAP) Crystallography

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Surface effect induced phase transformation by Mn removal during annealing and its textures in cold-rolled high manganese transformation-induced plasticity steel

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Journal of Iron and Steel Research International 2022年第3期29卷 494-502页

作者： Li-ying Liu Ping Yang Dan-dan Ma xin-fu gu School of Materials Science and Engineering University of Science and Technology BeijingBeijing100083China

The surface effect induced transformation texture during vacuum annealing of cold-rolled high manganese transformation-induced plasticity(TRIP)steels was *** to Mn removal occurring at the surface layer,γ→δdiffusional phase transformation leads to the formation of hard pancake-shaped ferrite grains due to solution strengthening at the surface and the centre layer remains as austenite+martensite after *** the case of slow heating,{112}/{111}textures for the surface ferrite were strengthened with the increase in temperature and holding time,indicating an inheritance of rolling *** increasing the heating rate of annealing,the rotated cube texture was developed in surface *** kind of multiphase sandwich structure with hard ferrite surface layer and tough austenite dominant centre can increase tensile strength and should also improve deep drawing properties,therefore providing new possibility of controlling properties for the application of high manganese TRIP steel.

关键词： High manganese transformation-induced plasticity steel Surface effect Texture Microstructure Vacuum annealing

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Catalytic detoxification of mitoxantrone by graphitic carbon nitride(g-C_(3)N_(4))supported Fe/Pd bimetallic nanoparticles

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Journal of Environmental Sciences 2025年第2期148卷 614-624页

作者： Qianyu Xu Haoyang fu Jiyuan gu Liyu Lei Lan Ling State Key Laboratory for Pollution Control and Resource Reuse College of Environmental Science and EngineeringTongji UniversityShanghai 200092China

The overuse of antibiotics and antitumor drugs has resulted in more and more extensive pollution of water bodies with organic drugs,causing detrimental ecological effects,which have attracted attention towards effective and sustainable methods for antibiotics and antitumor drug ***,the hybrid nanomaterial(g-C_(3)N_(4)@Fe/Pd)was synthesized and used to remove a kind of both an antibiotic and antitumor drug named mitoxantrone(MTX)with 92.0%removal efficiency,and the MTX removal capacity is 450 mg/*** exposing to the hybrid material the MTX aqueous solution changed color from dark blue to lighter progressively,and LC-UV results of residual solutions showthat a newpeak at 3.0min(MTX:13.2min)after removal by g-C_(3)N_(4)@Fe/Pd appears,with the simultaneous detection of intermediate products indicating that g-C_(3)N_(4)@Fe/Pd indeed degrades *** mass spectrometric analysis suggests that the nuclear mass ratio decreased from 445.2(M+1H)to 126.0(M+1H),169.1(M+1H),239.2(M+1H),267.3(M+1H),285.2(M+1H),371.4(M+1H)and 415.2(M+1H),and the maximum proportion(5.63%)substance of all degradation products(126.0(M+1H))is 40-100 times less toxic than MTX.A mechanism for the removal and degradation of mitoxantrone was ***,actual water experiments confirmed that the maximum removal capacity of MTX by g-C_(3)N_(4)@Fe/Pd is up to 492.4 mg/g(0.02 g/L,10 ppm).

关键词： Degradation LC-QTOF-MS Nanoparticles Mitoxantrone Aqueous solution

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Eosinophilia and clonorchiasis presenting as fever of unknown origin in adult patients

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World Journal of Emergency Medicine 2025年第1期16卷 91-93页

作者： Jie Zhong xin Zhou Wei gu Department of Emergency Medicine Chuiyangliu HospitalBeijing 100022China

Fever of unknown origin(fuO)is recognized as fever with uncertain diagnosis despite three days of hospital admission or three or more outpatient visits.[1]Acute liver fluke infection is characterized by fever,right upper quadrant pain,hepatomegaly,jaundice,and peripheral blood *** contrast,chronic liver fluke infection is asymptomatic in its early stage,but can easily progress to cirrhosis,cancer,or bile duct cancer *** diagnosis of clonorchiasis is particularly challenging in non-endemic *** herein report an unusual case of liver fluke infection in a patient who presented with fuO and eosinophilia.A 38-year-old male was admitted to our hospital with a history of intermittent and recurrent fever for over 10 d and a history of sudden abdominal pain for1 *** had no other medical *** than 10d ago,he visited our emergency department because of fuO,with his body temperature reaching 39.7℃,and he had no other symptoms at that *** and radiological examinations revealed:white blood cell(WBC)counts,10.9×10^(9)/L;neutrophil percentage,84.5%;eosinophil percentage,3.1%;C-reactive protein(CRP),141 mg/L;liver and kidney function,normal;influenza virus,negative;urine and stool tests,normal;and chest computed tomography(CT)findings,*** fever subsided after 1 week of anti-infective treatment with *** tests revealed the following results:WBC,15.0×10^(9)/L;neutrophil percentage,70.0%;eosinophil percentage,16.8%;and CRP,122 mg/*** antimicrobial treatment was then discontinued.

关键词： fever diagnosis admitted

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Characterization of combined blast-and fragments-induced synergetic damage in polyurea coated liquid-filled container

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Defence Technology(防务技术) 2025年第1期43卷 201-224页

作者： Chen Tao Chong Ji xin Wang Juan gu Yuting Wang Changxiao Zhao College of Field Engineering Army Engineering University of PLANanjing210007China College of Defense Engineering Army Engineering University of PLANanjing211101China

Liquid-filled containers(LFC)are widely used to store and transport petroleum,chemical reagents,and other *** an important target of military strikes and terrorist bombings,LFC are vulnerable to blast waves and *** explore the protective effect of polyurea elastomer on LFC,the damage characteristics of polyurea coated liquid-filled container(PLFC)under the combined loading of blast shock wave and fragments were studied *** microstructure of the polyurea layer was observed by scanning electron microscopy,and the fracture and self-healing phenomena were *** simulation approach was used to explain the combined blast-and fragments-induced on the PLFC in ***,the effects of shock wave and fragment alone and in combination on the damage of PLFC were comprehensively *** showed that the polyurea reduces the perforation rate of the fragment to the LFC,and the self-healing phenomenon could also reduce the liquid loss rate inside the *** polyurea reduces the degree of depression in the center of the LFC,resulting in a decrease in the distance between adjacent fragments penetrating the LFC,and an increase in the probability of transfixion and fracture between *** the close-in blast,the detonation shock wave reached the LFC before the *** does not all have an enhanced effect on the protection of *** presence of internal water enhances the anti-blast performance of the container,and the hydrodynamic ram(HRAM)formed by the fragment impacting the water aggravated the plastic deformation of the *** combined action has an enhancement effect on the deformation of the *** depth of the container depression was 27%higher than that of the blast shock wave alone;thus,it cannot be simply summarized as linear superposition.

关键词： Polyurea Prefabricated fragment Liquid-filled container Hydrodynamic ram Cumulative effect

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Multi-objective optimization of three mechanical properties of Mg alloys through machine learning

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Materials Genome Engineering Advances 2024年第3期2卷 83-95页

作者： Wei Gou Zhang-Zhi Shi Yuman Zhu xin-fu gu fu-Zhi Dai xing-Yu Gao Lu-Ning Wang State Key Laboratory for Advance Metals and Materials Beijing Advanced Innovation Center for Materials Genome EngineeringSchool of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijingChina Institute of Materials Intelligent Technology Liaoning Academy of MaterialsShenyangChina Department of Materials Science and Engineering Monash UniversityClaytonVictoriaAustralia Institute of Microelectronics Chinese Academy of SciencesBeijingChina

Conventional trial-and-error method is usually time-consuming and expensive for multi-objective optimization of Mg *** machine learning exhibits great potential to accelerate related research studies,machine learning prediction of properties of Mg alloys is often a prediction of a single target at a *** address this,this paper integrates non-dominated sorting genetic algorithm III multiobjective optimization algorithm with light gradient boosting machine algorithm to simultaneously optimize yield strength,ultimate tensile strength,and elongation of Mg *** is the first time that simultaneous machine learning optimization of these three objectives has been achieved for Mg alloys.

关键词： alloy design machine learning Mg alloys multi-objective optimization

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Positive effect of Mo on mechanical properties of a Ni-42W-10Co-xMo medium heavy alloy

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China Foundry 2025年第1期22卷 108-116页

作者： guo-xin Cao Jian-xin Dong Yong-sheng He He Jiang Fang Hao Zhi-hua Nie Teng-fei Ma Bao-quan fu School of Materials Science and Engineering University of Science and Technology BeijingBeijing 100083China Xi'an Superalloy Technology Co. Ltd.Xi’an 710299China School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Key Laboratory of Air-driven Equipment Technology of Zhejiang Province Quzhou UniversityQuzhou 324000ZhejiangChina

In this study,a novel Ni-W-Co-Mo medium heavy alloy(MHA)was designed to improve its mechanical strength via Mo *** the Ni-42W-10Co-x Mo alloy series,where x represents the weight percent of Mo and varies between 0,1,2,5,and 10,the microstructure transitions from a dendritic structure to a hypo-eutectic structure as the Mo content increases from 0 to 5wt.%.Moreover,as the Mo content increases from 0 to 10wt.%,the distribution of theμ-phase shifts from being individually dispersed to forming aggregates,and its volume fraction rises from 0.5%to 7.9%.Notably,theμ-phase evolves into an eutectic microstructure,which helps in minimizing the segregation of *** change is accompanied by a substantial enhancement in mechanical properties;specifically,the compressive yield strength at room temperature increases from 350 MPa to 646 MPa,indicating a significant 85%***,the microhardness increases from 230 HV to 304 *** dynamics simulations further reveal that the strengthening mechanism of Ni-42W-10Co-x Mo alloys is Mo-induced solid solution strengthening and precipitation strengthening.

关键词： medium-heavy alloys Ni-based alloy mechanical properties solid solution strengthening precipitation strengthening

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Emission characteristics,environmental impacts and health risk assessment of volatile organic compounds from the typical chemical industry in China

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Journal of Environmental Sciences 2025年第3期149卷 113-125页

作者： Kaitao Chen xin gu Min Cai Weicheng Zhao Boxuan Wang Haoran Yang xingang Liu xingru Li Analysis and Testing Center Department of ChemistryCapital Normal UniversityBeijing 100048China College of Resources Environment and Tourism Capital Normal UniversityBeijing 100048China State Key Laboratory of Water Environment Simulation School of EnvironmentBeijing Normal UniversityBeijing 100875China

To study the volatile organic compounds(VOCs)emission characteristics of industrial enterprises in China,6 typical chemical industries in Yuncheng City were selected as research objects,including the modern coal chemical industry(MCC),pharmaceutical industry(PM),pesticide industry(PE),coking industry(CO)and organic chemical industry(OC).The chemical composition of 91 VOCs was quantitatively *** results showed that the emission concentration of VOCs in the chemical industry ranged from 1.16 to 155.59 mg/m^(3).Alkanes were the main emission components of MCC(62.0%),PE(55.1%),and OC(58.5%).Alkenes(46.5%)were important components of PM,followed by alkanes(23.8%)and oxygenated volatile organic compounds(OVOCs)(21.2%).Halocarbons(8.6%-71.1%),OVOCs(9.7%-37.6%)and alkanes(11.2%-27.0%)were characteristic components of *** largest contributor to OFP was alkenes(0.6%-81.7%),followed by alkanes(9.3%-45.9%),and the lowest onewas alkyne(0%-0.5%).Aromatics(66.9%-85.4%)were the largest contributing components to SOA generation,followed by alkanes(2.6%-28.5%),and the lowest one was alkenes(0%-4.1%).Ethylene and BTEX were the key active species in various chemical *** human health risk assessment showed workers long-term exposed to the air in the chemical industrial zone had a high cancer and non-cancer risk during work,and BTEX and dichloromethane were the largest contributors.

关键词： Industrial enterprise VOCs spectrum Reactivity Health risk

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Single-cell omics: experimental workflow, data analyses and applications

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Science China(Life Sciences) 2025年第1期68卷 5-102页

作者： Fengying Sun Haoyan Li Dongqing Sun Shaliu fu Lei gu xin Shao Qinqin Wang xin Dong Bin Duan Feiyang xing Jun Wu Minmin Xiao Fangqing Zhao Jing-Dong J.Han Qi Liu Xiaohui Fan Chen Li Chenfei Wang Tieliu Shi Department of Clinical Laboratory the Affiliated Wuhu Hospital of East China Normal University(The Second People’s Hospital of Wuhu City)Wuhu 241000China Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Key Laboratory of Spine and Spinal Cord Injury Repair and Regeneration(Tongji University) Ministry of EducationOrthopaedic DepartmentTongji HospitalBioinformatics DepartmentSchool of Life Sciences and TechnologyTongji UniversityShanghai 200082China Frontier Science Center for Stem Cells School of Life Sciences and TechnologyTongji UniversityShanghai 200092China Translational Medical Center for Stem Cell Therapy and Institute for Regenerative Medicine Shanghai East HospitalBioinformatics DepartmentSchool of Life Sciences and TechnologyTongji UniversityShanghai 200082China Research Institute of Intelligent Computing Zhejiang LabHangzhou 311121China Shanghai Research Institute for Intelligent Autonomous Systems Shanghai 201210China Center for Single-cell Omics School of Public HealthShanghai Jiao Tong University School of MedicineShanghai 200025China National Key Laboratory of Chinese Medicine Modernization Innovation Center of Yangtze River DeltaZhejiang UniversityJiaxing 314103China Center for Bioinformatics and Computational Biology Shanghai Key Laboratory of Regulatory Biologythe Institute of Biomedical Sciences and School of Life SciencesEast China Normal UniversityShanghai 200241China Beijing Institutes of Life Science Chinese Academy of SciencesBeijing 100101China Peking-Tsinghua Center for Life Sciences Academy for Advanced Interdisciplinary StudiesCenter for Quantitative Biology(CQB)Peking UniversityBeijing 100871China Zhejiang Key Laboratory of Precision Diagnosis and Therapy for Major Gynecological Diseases Women’s HospitalZhejiang University School of MedicineHangzhou 310006China Key Laboratory of Advanced Theory and Application in Statistics and Data Science-MOE School of StatisticsEast China Normal U

Cells are the fundamental units of biological systems and exhibit unique development trajectories and molecular *** exploration of how the genomes orchestrate the formation and maintenance of each cell,and control the cellular phenotypes of various organismsis,is both captivating and *** the inception of the first single-cell RNA technology,technologies related to single-cell sequencing have experienced rapid advancements in recent *** technologies have expanded horizontally to include single-cell genome,epigenome,proteome,and metabolome,while vertically,they have progressed to integrate multiple omics data and incorporate additional information such as spatial scRNA-seq and CRISPR ***-cell omics represent a groundbreaking advancement in the biomedical field,offering profound insights into the understanding of complex diseases,including ***,we comprehensively summarize recent advances in single-cell omics technologies,with a specific focus on the methodology *** overview aims to guide researchers in selecting appropriate methods for single-cell sequencing and related data analysis.

关键词： single-cell sequencing genome epigenome proteomics metabolomics multimodal spatial transcriptomics CRISPR screening

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