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atomic-scale Nb heterogeneity induced icosahedral short-range ordering in metallic glasses

Journal of Materials Science & Technology 2022年第13期108卷 73-81页

作者： Yuhui Zhu Weizhen Wang Yuanyuan Song Shiming Zhang Hong Li Aimin Wang Haifeng Zhang Zhengwang Zhu Shi-changxu Innovation Center for Advanced Materials Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaHefei 230026China CAS Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China Qingdao Yunlu Advanced Materials Technology Co. Ltd.Qingdao 266232China

The intrinsic origins and formation of atomic-scale structure in multicomponent alloys remain largely unknown owing to limited simulations and inaccessible experiments.Herein,we report the formation of three-dimensional periodicity from a disordered atomic-scale structure to an imperfect/perfect ordered cluster and finally to long-range translational and rotational symmetry coupled with Nb heterogeneity.Significant atomic-scale structural clustering and atomic arrangements involving solvent or solute atoms simultaneously occurred during isothermal annealing.A close relationship between atomic-scale structural evolution and composition variation has important implications in depicting the chemical and topological packing during the early crystallization stage in metallic glasses.This work can provide a comprehensive understanding of how short-range orders evolve into long-range periodicity and will further shed light on the origins and nature of metallic glasses.

关键词： Metallic glasses Isothermal annealing atomic-scale Structural ordering Nb heterogeneity

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Correlation between deformation behavior and atomic-scale heterogeneity in Fe-based bulk metallic glasses

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Journal of Materials Science & Technology 2021年第6期65卷 54-60页

作者： Jing Zhou Siyi Di Baoan Sun Qiaoshi Zeng Baolong Shen School of Materials Science and Engineering Jiangsu Key Laboratory for Advanced Metallic MaterialsSoutheast UniversityNanjing 211189China Institutes of Physics Chinese Academy of SciencesBeijing 100190China Institute of Massive Amorphous Metal Science China University of Mining and Technology.Xuzhou 221116China

The correlation betweent deformation behavior and atomic-scale heterogeneity of bulk metallic glasses(BMGs)is critical to understand the BMGs'deformation mechanism.In this work,three typical[(Fe_(0.5)Co_(0.5))_(0.75)B_(0.2)Si_(0.05)]_(96)Nb_4,Fe_(39)Ni_(39)B_(14.2)Si_(2.75)P_(2.75)Nb_(2.3),and Fe_(50)Ni_(30)P_(13)C_(7)BMGs exhibiting different plasticity were selected,and the correlation between deformation behavior and atomic-scale heterogeneity of Fe-based BMGs was studied.It is found that the serrated flow dynamics of Fe-based BMGs transform from chaotic state to self-organized critical state with increasing plasticity.This transformation is attributed to the increasing atomic-scale heterogeneity caused by the increasing free volume and short-to-medium range order,which facilitates a higher frequency of interaction and multiplication of shear bands,thereby results in a brittle to ductile transition in Fe-based BMGs.This work provides new evidence on heterogeneity in plastic Fe-based BMGs from the aspects of atomic-scale structure,and provides new insight into the plastic deformation of Fe-based BMGs.

关键词： Fe-based BMG Plasticity Serrated flow behavior atomic-scale Heterogeneity

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In situ atomic-scale observation of size-dependent (de) potassiation and reversible phase transformation in tetragonal FeSe anodes

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InfoMat 2023年第1期5卷 161-171页

作者： Ran Cai Lixia Bao Wenqi Zhang Weiwei Xia Chunhao Sun Weikang Dong Xiaoxue Chang Ze Hua Ruiwen Shao Toshio Fukuda Zhefei Sun Haodong Liu Qiaobao Zhang Feng Xu Lixin Dong Beijing Advanced Innovation Center for Intelligent Robots and Systems School of Medical TechnologyBeijing Institute of TechnologyBeijingPeople's Republic of China Analysis&Testing Center Beijing Institute of TechnologyBeijingPeople's Republic of China Department of Biomedical Engineering City University of Hong KongHong KongPeople's Republic of China Shaanxi Materials Analysis and Research Center School of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi'anPeople's Republic of China School of Environmental and Safety Engineering North University of ChinaTaiyuanPeople's Republic of China Department of Materials Science and Engineering College of MaterialsXiamen UniversityXiamenFujianPeople's Republic of China Department of Nanoengineering University of California San DiegoLa JollaCaliforniaUSA SEU-FEI Nano-Pico Center Key Laboratory of MEMS of Ministry of EducationSoutheast UniversityNanjingPeople's Republic of China

Potassium-ion batteries(PIBs)are considered promising alternatives to lithium-ion batteries owing to cost-effective potassium resources and a suitable redox potential of-2.93 V(vs.-3.04 V for Li+/Li).However,the exploration of appro-priate electrode materials with the correct size for reversibly accommodating large K+ions presents a significant challenge.In addition,the reaction mecha-nisms and origins of enhanced performance remain elusive.Here,tetragonal FeSe nanoflakes of different sizes are designed to serve as an anode for PIBs,and their live and atomic-scale potassiation/depotassiation mechanisms are revealed for the first time through in situ high-resolution transmission electron micros-copy.We found that FeSe undergoes two distinct structural evolutions,sequen-tially characterized by intercalation and conversion reactions,and the initial intercalation behavior is size-dependent.Apparent expansion induced by the intercalation of K+ions is observed in small-sized FeSe nanoflakes,whereas unexpected cracks are formed along the direction of ionic diffusion in large-sized nanoflakes.The significant stress generation and crack extension originating from the combined effect of mechanical and electrochemical interactions are elucidated by geometric phase analysis and finite-element analysis.Despite the different intercalation behaviors,the formed products of Fe and K_(2)Se after full potassiation can be converted back into the original FeSe phase upon depotassiation.In particular,small-sized nanoflakes exhibit better cycling perfor-mance with well-maintained structural integrity.This article presents the first successful demonstration of atomic-scale visualization that can reveal size-dependent potassiation dynamics.Moreover,it provides valuable guidelines for optimizing the dimensions of electrode materials for advanced PIBs.

关键词： elucidated by geometric phase analysis and finite-element analysis. Despite the different intercalation behaviors the formed products of Fe and K 2 Se after full potassiation can be converted back into the original FeSe phase upon depotassiation. In particular small-sized nanoflakes exhibit better cycling perfor- mance with well-maintained structural integrity. This article presents the first successful demonstration of atomic-scale visualization that can reveal size- dependent potassiation dynamics. Moreover it provides valuable guidelines for optimizing the dimensions of electrode materials for advanced PIBs. KEYWOR DS in situ transmission electron microscopy potassium-ion batteries potassium-ion storage mechanism size-dependent effects tetragonal FeSe

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Computer Simulation of the Interphase Boundary Evolution in Ni_(75)Al_xV_(25-x) Alloy

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Journal of Materials Science & Technology 2005年第3期21卷 395-398页

作者： YongshengLI ZhengCHEN YanliLU YongxinWANG SchoolofMaterialsScienceandEngineering NorthwesternPolytechnicalUniversityXi'an710072China SchoolofMaterialsScienceandEngineering NorthwesternPolytechnicalUniversityXiran710072China//StateKeyLaboratoryofSolidificationProcessingNorthwesternPolytechnicalUniversityXi'an710072China SchoolofMaterialsScienceandEngineering NorthwesternPolytechnicalUniversityXi'an710072China

The interphase boundary evolution of ordered phase in Ni75AlxV25-x alloy during precipitation was simulated on atomic-scale based on the microscopic phase-field dynamic model. The results show that the second phase precipitated from the interphase boundary formed by the first phase and the disordered matrix at high temperature, and from the interphase boundaries of the first phase at low temperature. L12 phase had obvious selective orientation when precipitated from the interphase boundaries of D022- L12 phase nucleated easily at the interphase boundaries formed by [10] and [01] directions of D022 projection along [001] direction, and grew easily at [10] direction. There was no the selective orientation when L12 phase precipitated from the interphase boundary formed by D022 and the disordered matrix. D022 phase had the selective orientation when precipitated from the interphase boundaries of L12, and grew along the [10] direction.

关键词： Microscopic phase-field atomic-scale Interphase boundary Simulation Ni75AlxV25-x

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