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材料科学技术（英文版）
材料科学技术（英文版）

胡壮麟

月刊

1005-0302

jmst@imr.ac.cn

024-83978208

110016

沈阳市沈河区文化路72号

材料科学技术（英文版）/Journal Journal of Materials Science & TechnologyCSCDCSTPCD北大核心EISCI
查看更多>>本刊简称《JMST》，（ISSN 1005-0302，CN 21-1315/TG）。1985年创刊。是中国科协主管，中国金属学会，中国材料研究学会和中国科学院金属研究所联合主办的国际性英文期刊，以“加强国际交流，扩大学术影响，服务经济建设”为办刊宗旨，刊登世界各国的具有创新性和较高学术水平的原始性论文，并设有物约综述、快报、简讯及国内外材料界杰出学者简介等栏目，内容包括金属材料、无机非金属材料、复合材料及有机高分子材料等。
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    Theoretical insights into nitrogen oxide activation on halogen defect-rich{001}facets of bismuth oxyhalide

    Kang XuLiang WangHaifeng FengZhongfei Xu...
    217-222页
    查看更多>>摘要：Surface vacancies,serving as the activation centers for surface-adsorbed species,have been widely applied in catalysts to improve their activity and selectivity.In the case of ternary compound semicon-ductors,there is some controversy about exposed atoms and surface defects.Two-dimensional layered BiOCl is an important photocatalyst,which has had numerous studies focused on its oxygen vacancy(Ov)and bismuth vacancy(Biv).It has been realized that its(001)surface can consist of exposed halogen atoms rather than oxygen atoms,which thus needs a new explanation for its surface defect engineering mechanism.Using first-principles calculations,the activation behavior of NOx(NO2,NO,N2O)at a chlo-rine vacancy(Clv)on the BiOCl(001)surface is systematically studied.It is found that after introducing Clv on BiOCl(001)surfaces,NOx molecules all show excellent activities with longer chemical bonds by capturing electrons from the catalyst.Our work furnishes fundamental insight into the activation of small molecules on defect-rich surfaces of ternary compound catalysts.
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    Effects of intermittent loading time and stress ratio on dwell fatigue behavior of titanium alloy Ti-6Al-4V ELI used in deep-sea submersibles

    Chengqi SunYanqing LiKuilong XuBaotong Xu...
    223-236页
    查看更多>>摘要：Different components of deep-sea submersibles,such as the pressure hull,are usually subjected to inter-mittent loading,dwell loading,and unloading during service.Therefore,for the design and reliability assessment of structural parts under dwell fatigue loading,understanding the effects of intermittent loading time on dwell fatigue behavior of the alloys is essential.In this study,the effects of the inter-mittent loading time and stress ratio on dwell fatigue behavior of the titanium alloy Ti-6Al-4V ELI were investigated.Results suggest that the dwell fatigue failure modes of Ti-6Al-4V ELI can be classified into three types,i.e.,fatigue failure mode,ductile failure mode,and mixed failure mode.The intermittent loading time does not affect the dwell fatigue behavior,whereas the stress ratio significantly affects the dwell fatigue life and dwell fatigue mechanism.The dwell fatigue life increases with an increase in the stress ratio for the same maximum stress,and specimens with a negative stress ratio tend to undergo ductile failure.The mechanism of dwell fatigue of titanium alloys is attribute to an increase in the plastic strain caused by the part of the dwell loading,thereby resulting in an increase in the actual stress of the specimens during the subsequent loading cycles and aiding the growth of the formed crack or damage,along with the local plastic strain or damage induced by the part of the fatigue load promoting the cumu-lative plastic strain during the dwell fatigue process.The interaction between dwell loading and fatigue loading accelerates specimen failure,in contrast to the case for individual creep or fatigue loading alone.The dwell fatigue life and cumulative maximum strain during the first loading cycle could be correlated by a linear relationship on the log-log scale.This relationship can be used to evaluate the dwell fatigue life of Ti alloys with the maximum stress dwell.
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    Newly observed irrational crystallographic features of non-basal Mg2Sn precipitates in a Mg-4Sn alloy aged at 160℃

    Xuefei HuangBaoqin FuWeigang Huang
    237-243页
    查看更多>>摘要：Two novel types of irrational orientation relationships(ORs)between β-Mg2Sn precipitates and theα-Mg matrix were observed in a Mg-4Sn alloy aged at 160℃.In contrast to that for the dominant β-Mg2Sn laths lying on the(0001)α basal plane of the matrix,the precipitates with the irrational ORs are inclined or normal to(0001)α.Specifically,the precipitates that adopt the OR of[011]β//[2(11)0]α,with((1)1(1))βdeviating approximately 4.7° from(0002)α,have a long axis parallel to[0001]α.The precipitates with the OR of[011]β//[2(11)0]α,with(11(1))βdeviating approximately 13.5° from(0002)α,exhibit a long axis of[02(2)1]α.Both types of precipitates have a habit plane(HP)of(2(11)0)α.The interface orientations of the precipitates associated with the irrational ORs are interpreted by a good matching sites(GMS)method.A thorough examination of the crystallographic features of the β-Mg2Sn precipitates in the literature shows that the precipitates with most rational ORs have a HP parallel to(0001)α,and those with most irrational ORs have a HP(or long axis)inclined or normal to(0001)α.The preferences of the precipitates with different irrational ORs have also been analyzed by examining the lattice matching condition across the interfaces between the precipitates and the matrix.
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    Double transition metal atoms anchored on Graphdiyne as promising catalyst for electrochemical nitrogen reduction reaction

    Lakshitha Jasin ArachchigeYongjun XuZhongxu DaiXiao Li Zhang...
    244-251页
    查看更多>>摘要：Ammonia synthesis by electrochemical nitrogen reduction technique is an attractive alternative to tradi-tional Haber-Bosch process.Currently,development of an efficient and effective electrocatalyst is one of the remaining key challenges.In this work,density functional theory(DFT)computations were systemat-ically employed on double transition metal atoms(Fe,Co,Ni,Cu and Mo)anchored Graphdiyne(GDY)for nitrogen reduction reaction(NRR).The Co-Ni heteronuclear complex and Mo-Mo homonuclear complex showed the highest NRR activity while demonstrating synergistic effect of double atomic catalytic sites towards the promising NRR activity.
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    Morphological stability of three-dimensional cementite rods in polycrystalline system:A phase-field analysis

    Tobias MittnachtP.G.Kubendran AmosDaniel SchneiderBritta Nestler...
    252-268页
    查看更多>>摘要：Transformations accompanying shape-instability govern the morphological configuration and distribu-tion of the phases in a microstructure.Owing to the influence of the microstructure on the properties of a material,in the present work,the stability of three-dimensional rods in a'representative'polycrystalline system is extensively analysed.A multiphase-field model,which recovers the physical laws and sharp-interface relations,and includes grain boundary diffusion,is adopted to investigate the morphological evolution of the precipitate.Moreover,the efficiency of the numerical approach is ensured by establish-ing the volume-preserving chemical equilibrium through the incorporation TCFe8(CALPHAD)data and solving phase-field evolution in the Allen-Cahn framework.The morphological evolution of the rod in the representative multiphase system exhibits a unique transformation mechanism which is significantly different from the evolution of an isolated finite-structure.It is realised that,in a polycrystalline arrange-ment,irrespective of the initial size of the rod,the shape-change begins with the energy-minimising events at the triple junctions.This early transformation renders a characteristic morphology at the longi-tudinal ends of the structure,which introduces sufficient driving-force through the curvature-difference for the subsequent morphological changes.The continued mass transfer to the terminations,ultimately,breaks-off the rod into separate entities that are entangled in the grain boundary.With increase in the aspect ratio of the rod,it is identified that the source of mass transfer,which turns into the ovulation site,shifts from the centre.This increases the number of fragmentation events and introduces satellite particle.The size of the satellite particle is dictated by a definite ovulation criterion,which is ascertained by examining the transformation of different-sized rods.A comprehensive understanding of the trans-formation kinetics and mechanism governing the morphological evolution of the rods in a polycrystalline system is rendered in this work.
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