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Elucidating the evolution of long-period stacking ordered phase and its effect on deformation behavior in the as-cast Mg-6Gd-1Zn-0.6Zr alloy
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作者 Sangwon Lee Yejun Park +4 位作者 Jongbin Go Young Mok Kim Seok Su Sohn Jiehua Li Pyuck-Pa Choi 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2023年第8期2801-2810,共10页
Herein,the evolution of long-period stacking ordered(LPSO)phases in the as-cast Mg-6Gd-1Zn-0.6Zr(wt.%)alloy are investigated via transmission electron microscopy(TEM)and atom probe tomography(APT).The TEM results reve... Herein,the evolution of long-period stacking ordered(LPSO)phases in the as-cast Mg-6Gd-1Zn-0.6Zr(wt.%)alloy are investigated via transmission electron microscopy(TEM)and atom probe tomography(APT).The TEM results reveal that two types of LPSO phase(a bulky interdendritic phase and a plate-like matrix LPSO phase)are formed in the as-cast sample.Most of the LPSO phases are confirmed to be of the 14H type,with a smaller proportion being of the 18R LPSO.Further,the APT results reveal that the composition of the interdendritic LPSO phase is closer to that of the ideal 14H phase compared to the matrix LPSO phase,and both the interdendritic and matrix LPSO phases exhibit a Gd/Zn ratio of 2.5,thereby indicating a deficient Zn content compared to the ideal 14H phase(i.e.,1.3).In addition,the influence of the LPSO phases on the deformation behavior is investigated at different compressive plastic strains using electron backscatter diffraction(EBSD)analysis to reveal twinning and slip behavior during deformation.The results indicate that the LPSO phase induces additional work hardening in the late stage of deformation via the suppression of{1011}compressive twinning and the activation of non-basal slip systems. 展开更多
关键词 Magnesium alloy long-period stacking ordered phase Transmission electron microscopy Atom probe tomography Work hardening behavior
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Effect of long-period stacking ordered structure on very high cycle fatigue properties of Mg-Gd-Y-Zn-Zr alloys
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作者 Xiangyu WANG Chao HE +3 位作者 Xue Li Lang LI Yongjie LIU Qingyuan WANG 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2023年第8期2811-2822,共12页
Magnesium alloys with a long-period stacking ordered(LPSO)structure usually possess excellent static strength,but their fatigue behaviors are poorly understood.This work presents the effect of the LPSO structure on th... Magnesium alloys with a long-period stacking ordered(LPSO)structure usually possess excellent static strength,but their fatigue behaviors are poorly understood.This work presents the effect of the LPSO structure on the crack behaviors of Mg alloys in a very high cycle fatigue(VHCF)regime.The LPSO lamellas lead to a facet-like cracking process along the basal planes at the crack initiation site and strongly prohibit the early crack propagation by deflecting the growth direction.The stress intensity factor at the periphery of the faceted area is much higher than the conventional LPSO-free Mg alloys,contributing higher fatigue crack propagation threshold of LPSO-containing Mg alloys.Microstructure observation at the facets reveals a layer of ultrafine grains at the fracture surface due to the cyclic contact of the crack surface,which supports the numerous cyclic pressing model describing the VHCF crack initiation behavior. 展开更多
关键词 Fatigue crack initiation long-period stacking ordered structure Mg alloys Ultrafine grains Very high cycle fatigue
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Transformation of long-period stacking ordered structures in Mg-Gd-Y-Zn alloys upon synergistic characterization of first-principles calculation and experiment and its effects on mechanical properties
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作者 Mingyu Li Guangzong Zhang +4 位作者 Siqi Yin Changfeng Wang Ying Fu Chenyang Gu Renguo Guan 《Journal of Magnesium and Alloys》 SCIE EI CAS 2024年第5期1867-1879,共13页
Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process... Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process of long-period stacking ordered(LPSO)structure during solidification and heat treatment and its effect on the mechanical properties of experimental alloys are discussed.Results reveal that the stacking faults and 18R LPSO phases appear in the as-cast Mg-10Gd-4Y-1Zn-0.6Zr and Mg-10Gd-4Y-2Zn-0.6Zr alloys,respectively.After solution treatment,the stacking faults and 18R LPSO phase transform into 14H LPSO phase.The Enthalpies of formation and reaction energy of 14H and 18R LPSO are calculated based on first-principles.Results show that the alloying ability of 18R is stronger than that of 14H.The reaction energies show that the 14H LPSO phase is more stable than the 18R LPSO.The elastic properties of the 14H and 18R LPSO phases are also evaluated by first-principles calculations,and the results are in good agreement with the experimental results.The precipitation of LPSO phase improves the tensile strength,yield strength and elongation of the alloy.After solution treatment,the Mg-10Gd-4Y-2Zn-0.6Zr alloy has the best mechanical properties,and its ultimate tensile strength and yield strength are 278.7 MPa and 196.4 MPa,respectively.The elongation of Mg-10Gd-4Y-2Zn-0.6Zr reaches 15.1,which is higher than that of Mg-10Gd-4Y0.6Zr alloy.The improving mechanism of elastic modulus by the LPSO phases and the influence on the alloy mechanical properties are also analyzed. 展开更多
关键词 Mg-Gd-Y-Zn alloys long-period stacking ordered First-principles calculations Enthalpies Mechanical properties
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Effect of Precipitated Phases on Corrosion of Mg95.8Gd3Zn1Zr0.2 Alloy with Long-Period Stacking Ordered Structure 被引量:4
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作者 Xi-Mei zong Dan Wang +3 位作者 Wei Liu Kai-Bo Nie Chun-Xiang Xu Jin-Shan Zhang 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2016年第1期32-38,共7页
The microstructure of the precipitated phases of Mg95.sGd3Zn1Zro.2 alloys with long-period stacking ordered structure before and after heat treatment is discussed. The corrosion properties of the as-cast (F), solid-... The microstructure of the precipitated phases of Mg95.sGd3Zn1Zro.2 alloys with long-period stacking ordered structure before and after heat treatment is discussed. The corrosion properties of the as-cast (F), solid-solution (T4) and aging-treated (T6) alloys in 1% NaC1 solution are studied. The hydrogen evolution and electrochemical measurements display that the as-cast Mg95.sGd3Zn1Zro.2 alloy with the continuous network eutectic phase exhibits the greatest corrosion resistance, while T6 sample with some needle-like phases and the particle phases is the worst among the three alloys. It is proposed to be mainly related to the amount, composition, microstructure and distribution of the precipitated phases. 展开更多
关键词 Mg-Gd-Zn Corrosion properties long-period stacking ordered (LPSO) Microstructure
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Guinier-Preston Zone,Quasicrystal and Long-period Stacking Ordered Structure in Mg-based Alloys,A Review 被引量:3
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作者 Yongbo XU Daokui XU +1 位作者 Xiaohong SHAO En-hou HAN 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2013年第3期217-231,共15页
Both the solid solution and precipitation are mainly strengthening mechanism for the magnesium-based alloys. A great number of alloying elements can be dissolved into the Mg matrix to form the solutes and precipitates... Both the solid solution and precipitation are mainly strengthening mechanism for the magnesium-based alloys. A great number of alloying elements can be dissolved into the Mg matrix to form the solutes and precipitates.Moreover, the type of precipitates varies with different alloying elements and heat treatments, which makes it quite difficult to understand the formation mechanism of the precipitates in Mg-based alloys in depth. Thus, it is very hard to give a systematical regularity in precipitation process for the Mg-based alloys. This review is mainly focused on the formation and microstructural evolution of the precipitates, as a hot topic for the past few years, including Guinier-Preston Zones, quasicrystals and long-period stacking ordered phases formed in a number of Mg-TM-RE alloy systems, where TM = Al, Zn, Zr and RE = Y,Gd, Hd, Ce and La. 展开更多
关键词 Guinier-Preston zone QUASICRYSTAL long-period stacking ordered structure Mg-based alloy
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Corrosion Behavior of Mg-Zn-Y Alloy with Long-period Stacking Ordered Structures 被引量:18
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作者 Jinshan Zhang Jidong Xu Weili Cheng Changjiu Chen Jingjing Kang 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2012年第12期1157-1162,共6页
Mg-Zn-Y alloys with long-period stacking ordered structures were prepared by an ingot casting method. The corrosion performance of Mg-Zn-Y alloys was studied by combining gas-collecting test, immersion test and electr... Mg-Zn-Y alloys with long-period stacking ordered structures were prepared by an ingot casting method. The corrosion performance of Mg-Zn-Y alloys was studied by combining gas-collecting test, immersion test and electrochemical measurements in order to determine the corrosion rate and mechanism of the alloys. The results showed that the volume fraction of Mg(12)YZn phase increased and the shape of the Mg(12)YZn phase changed from discontinuous to continuous net-like with increasing Zn and Y content. The corrosion rate of the alloys greatly depended on the distribution and volume fraction of the Mg(12)YZn phase. Corrosion products appeared at the junction of Mg phase and Mg(12)YZn phase, indicating that the Mg(12)YZn phase accelerated galvanic corrosion of Mg matrix. Mg(97)Zn1Y2 alloy shows the lowest corrosion rate due to the continuous distribution of Mg(12)YZn phase. 展开更多
关键词 Mg-Zn-Y alloy long-period stacking ordered (LPSO) structure Micro-galvanic corrosion Mg(12)YZn phase Corrosion behavior
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Correlation of work function and stacking fault energy through Kelvin probe force microscopy and nanohardness in diluteα-magnesium
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作者 Yigit Türe Ali Arslan Kaya +2 位作者 Hüseyin Aydin Jiang Peng Servet Turan 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第1期237-250,共14页
Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work ... Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,i.e.the electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the literature.It was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>Mg-Ba.Thus,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'level.Nano-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three alloys.Correlation withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of assumptions.As asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental systems.Our investigation has shown that such a qualitative correlation is possible.After all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density distributions.Our study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPFM and nanoindentation. 展开更多
关键词 Mg alloys Dilute alloys Work function stacking fault energy Kelvin probe force microscopy Short range order Miedema NANOINDENTATION EUTECTICS
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Interfacial dislocations dominated lateral growth of long-period stacking ordered phase in Mg alloys
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作者 Qjanqian Jin Xiaohong Shao +3 位作者 Shijian Zheng Yangtao Zhou Bo Zhang Xiuliang Ma 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2021年第2期114-118,共5页
Understanding the interface between strengthening precipitates and matrix in alloys, especially at the atomic level, is a critical issue for tailoring the precipitate strengthening to achieve desired mechanical proper... Understanding the interface between strengthening precipitates and matrix in alloys, especially at the atomic level, is a critical issue for tailoring the precipitate strengthening to achieve desired mechanical properties. Using high-resolution scanning transmission electron microscopy, we here clarify the semicoherent interfaces between the matrix and long-period stacking ordered(LPSO) phases, including 18 R and 14 H, in Mg–Zn–Y alloys. The LPSO/Mg interface features the unique configuration of the Shockley partial dislocations, which produces a near zero macroscopic strain because the net Burgers vectors equal zero. The 18 R/Mg interface characterizes a dissociated structure that can be described as a narrow slab of 54 R. There are two dislocation arrays accompanied to the 18 R/54 R and 54 R/Mg interface, resulting a slight deviation(about 2.3°). The 14 R/Mg interface exhibits the dislocation pairs associated with solute atoms. We further evaluate the stability and morphology of the corresponding interfaces based on elastic interaction, via calculating the mutual strong interactions between dislocation arrays, as well as that between the dislocations and solute atoms. The synchronized migration of interfacial dislocations and solute atoms, like move-drag behavior, dominates the lateral growth of LPSO phases in Mg alloys. 展开更多
关键词 Magnesium alloys long-period stacking ordered phases Dislocations Heterogeneous interface
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Review on long-period stacking-ordered structures in Mg-Zn-RE alloys 被引量:12
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作者 Lu, Fumin Ma, Aibin +2 位作者 Jiang, Jinghua Yang, Donghui Zhou, Qi 《Rare Metals》 SCIE EI CAS CSCD 2012年第3期303-310,共8页
关键词 magnesium alloys long-period stacking-ordered (LPSO) structure formation TRANSFORMATION strengthening mechanisms
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Microstructure characterization and corrosion behavior of Mg-Y-Zn alloys with different long period stacking ordered structures 被引量:13
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作者 Lisha Wang Jinghua Jiang +2 位作者 Huan Liu Bassiouny Saleh Aibin Ma 《Journal of Magnesium and Alloys》 SCIE EI CAS 2020年第4期1208-1220,共13页
Mg-Y-Zn alloys with long period stacking ordered(LPSO)structure have received much attention recently and exhibit great potential in applications such as automotive,aerospace and in bio-medical fields.This paper aimed... Mg-Y-Zn alloys with long period stacking ordered(LPSO)structure have received much attention recently and exhibit great potential in applications such as automotive,aerospace and in bio-medical fields.This paper aimed to investigate the effect of different phase constitution of LPSO structures on corrosion rate of bio-medical Mg-Y-Zn alloys.The results showed that as-cast Mg98.5Y1Zn0.5 alloys containing only 18R structure exhibited the highest corrosion resistance with the corrosion rate of 2.78 mm/year.The precipitation of 14H lamellas within a-Mg grains during solid solution treatment introduced the crystallographic orientation corrosion by accelerating micro-galvanic corrosion.The increase of 18R/14H interfaces deteriorated the corrosion resistance,and the grain boundaries also suffered from severe electrochemical dissolution.This work suggested that Mg-Y-Zn alloys with single LPSO structure(either 18R or 14H)exhibited better corrosion resistance than alloys with co-existence 18R and I4H LPSO structures. 展开更多
关键词 Corrosion behavior Long period stacking ordered phase Magnesium alloys Solution treatment Bio-materials
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Recent developments on corrosion behaviors of Mg alloys with stacking fault or long period stacking ordered structures 被引量:6
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作者 Yujin Nie Jianwei Dai +1 位作者 Xuan Li Xiaobo Zhang 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2021年第4期1124-1148,共25页
Corrosion is one of the most drawbacks which restricts the wide applications of Mg alloys.In the last decade,the corrosion behaviors of Mg alloys with stacking fault(SF)and/or long period stacking ordered(LPSO)structu... Corrosion is one of the most drawbacks which restricts the wide applications of Mg alloys.In the last decade,the corrosion behaviors of Mg alloys with stacking fault(SF)and/or long period stacking ordered(LPSO)structures have obtained increasing attention.However,the corrosion mechanism of the SF–or LPSO–containing Mg alloys has not been well illustrated and even reverse results have been reported.In this paper,we have reviewed recent reports on corrosion behaviors of SF–or LPSO–containing Mg alloys to better clarify and understand the significance and mechanism.Moreover,some deficiencies are presented and advises are proposed for the development of corrosion resistant Mg alloys with SF or LPSO structures. 展开更多
关键词 Magnesium alloys Corrosion behavior stacking fault Long period stacking ordered
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Effect of Li on formation of long period stacking ordered phases and mechanical properties of Mg-Gd-Zn alloy 被引量:2
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作者 Li-yun Wei Jin-shan Zhang +3 位作者 Wei Liu Chun-xiang Xu Zhi-yong You Kai-bo Nie 《China Foundry》 SCIE 2016年第4期256-261,共6页
Alloys with composition of Mg_(96-x)Gd_3Zn_1Li_x(at.%)(x=0, 2, 4, and 6) were prepared by conventional casting. The microstructures of these alloys under as-cast and solid-solution conditions have been observed, and t... Alloys with composition of Mg_(96-x)Gd_3Zn_1Li_x(at.%)(x=0, 2, 4, and 6) were prepared by conventional casting. The microstructures of these alloys under as-cast and solid-solution conditions have been observed, and the mechanical properties were investigated. The results showed that Li is an effective element to refine the grains and break the eutectic networks in as-cast MgGd_3Zn_1 alloy. During solid solution treatment, these broken eutectic networks are spheroidized and highly dispersed. In addition, plentiful lamellar long period stacking ordered(LPSO) phases are precipitated in an α-Mg matrix when the Li addition is not more than 4%. Solid-solution treated Mg_(92)Gd_3Zn_1Li_4 alloy exhibits an optimal ultimate tensile strength(UTS) of 226 MPa and elongation of 5.8%. The strength of MgGd_3Zn_1 alloy is improved significantly, meanwhile, the toughness is apparently increased. 展开更多
关键词 Mg-Gd-Zn alloys LI second phase long period stacking ordered phase comprehensive properties
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Dilute long period stacking/order(LPSO)-variant phases along the composition gradient in a Mg-Ho-Cu alloy 被引量:1
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作者 Kai Guan Daisuke Egusa Eiji Abe 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2022年第6期1573-1580,共8页
We have systematically investigated the microstructures of as-cast Mg_(97.49)Ho_(1.99)Cu_(0.43)Zr_(0.09)alloy by atomic resolution high-angle annular dark field scanning transmission electron microscopy(HAADF-STEM), r... We have systematically investigated the microstructures of as-cast Mg_(97.49)Ho_(1.99)Cu_(0.43)Zr_(0.09)alloy by atomic resolution high-angle annular dark field scanning transmission electron microscopy(HAADF-STEM), revealing the coexistence of 18R, 14H and 24R long period stacking/order(LPSO) phases with fully coherent interfaces along step-like composition gradient in a blocky intermetallic compound distributed at grain boundary. The short-range order(SRO) L1_(2)-type Cu_(6)Ho_(8)clusters embedded across AB’C’A-stacking fault layers are directly revealed at atomic scale. Importantly, the order degree of SRO clusters in the present dilute alloy is significant lower than previous 6M and 7M in-plane order reported in ternary Mg-TM(transition metal)-RE(rare earth) alloys, which can be well matched by 9M in-plane order. This directly demonstrates that SRO in-plane L1_(2)-type clusters can be expanded into more dilute composition regions bounded along the definite TM/RE ratio of 3/4. In addition, the estimated chemical compositions of solute enriched stacking fault(SESF) in all LPSO variants are almost identical with the ideal SESF composition of 9M in-plane order, regardless of the type of LPSO phases. The results further support the viewpoint that robust L1_(2)-type TM_(6)RE_(8)clusters play an important role in governing LPSO phase formation. 展开更多
关键词 Magnesium alloys Long period stacking/order(LPSO)phases Short-range order(SRO)clusters High-angle annular dark field scanning transmission electron microscopy(HAADF-STEM)
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Microstructure and mechanical properties of a compound reinforced Mg95Y2.5Zn2.5 alloy with long period stacking ordered phase and W phase 被引量:1
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作者 Shou-zhong Wu Jin-shan Zhang +3 位作者 Chun-xiang Xu Kai-bo Nie Xiao-feng Niu Zhi-yong You 《China Foundry》 SCIE 2017年第1期34-38,共5页
The microstructure evolution of Mg100-2xYxZnx(x=2, 2.5, 3, 3.5) alloys was investigated. Results show that the Mg100-2xYxZnx alloys are composed of α-Mg, long period stacking ordered(LPSO) phase and eutectic structur... The microstructure evolution of Mg100-2xYxZnx(x=2, 2.5, 3, 3.5) alloys was investigated. Results show that the Mg100-2xYxZnx alloys are composed of α-Mg, long period stacking ordered(LPSO) phase and eutectic structure phase(W phase), and the Mg95Y2.5Zn2.5 alloy has the best comprehensive mechanical properties. Subsequently, the microstructure evolution of the optimized alloy Mg95Y2.5Zn2.5 during solidification and heat treatment processes was analyzed and discussed by means of OM, SEM, TEM, XRD and DTA. After heat treatment, the lamellar phase 14H-LPSO precipitated in α-Mg and W phase transforms into particle phase(MgYZn2). Due to the compound reinforcement effect of the particle phase and LPSO phase(18R+14H), the mechanical properties of the alloy are enhanced. The tensile strength and elongation of the Mg95Y2.5Zn2.5 alloy is improved by 9.1% and 31.3% to 215 MPa and 10.5%, respectively, after solid-solution treatment. 展开更多
关键词 镁合金 Mg 95 > Y 2.5 > Zn 2.5 合金 渴望叠的时期订(LPSO ) W 阶段 加重加强
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Coupling Stacking Orders with Interlayer Magnetism in Bilayer H-VSe2
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作者 李奥林 周文哲 +3 位作者 潘江陵 夏庆林 龙孟秋 欧阳方平 《Chinese Physics Letters》 SCIE CAS CSCD 2020年第10期61-67,共7页
Stacking-dependent magnetism in van der Waals materials has caught intense interests.Based on the first principle calculations,we investigate the coupling between stacking orders and interlayer magnetic orders in bila... Stacking-dependent magnetism in van der Waals materials has caught intense interests.Based on the first principle calculations,we investigate the coupling between stacking orders and interlayer magnetic orders in bilayer H-VSe 2.It is found that there are two stable stacking orders in bilayer H-VSe 2,named AB-stacking and A′B-stacking.Under standard DFT framework,the A′B-stacking prefers the interlayer AFM order and is semiconductive,whereas the AB-stacking prefers the FM order and is metallic.However,under the DFT+U framework both the stacking orders prefer the interlayer AFM order and are semiconductive.By detailedly analyzing this difference,we find that the interlayer magnetism originates from the competition between antiferromagnetic interlayer super-superexchange and ferromagnetic interlayer double exchange,in which both the interlayer Se-4 p z orbitals play a crucial role.In the DFT+U calculations,the double exchange is suppressed due to the opened bandgap,such that the interlayer magnetic orders are decoupled with the stacking orders.Based on this competition mechanism,we propose that a moderate hole doping can significantly enhance the interlayer double exchange,and can be used to switch the interlayer magnetic orders in bilayer VSe 2.This method is also applicable to a wide range of semiconductive van der Waals magnets. 展开更多
关键词 stacking INTERLAYER orderS
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Stacking stability of MoS_2 bilayer: An ab initio study 被引量:1
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作者 陶鹏 郭怀红 +1 位作者 杨腾 张志东 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第10期411-416,共6页
The study of the stacking stability of bilayer MoS2 is essential since a bilayer has exhibited advantages over single layer MoS2 in many aspects for nanoelectronic applications. We explored the relative stability, opt... The study of the stacking stability of bilayer MoS2 is essential since a bilayer has exhibited advantages over single layer MoS2 in many aspects for nanoelectronic applications. We explored the relative stability, optimal sliding path between different stacking orders of bilayer MoS2, and (especially) the effect of inter-layer stress, by combining first-principles density functional total energy calculations and the climbing-image nudge-elastic-band (CI-NEB) method. Among five typical stacking orders, which can be categorized into two kinds (I: AA', AB and II: AA', AB', A'B), we found that stacking orders with Mo and S superposing from both layers, such as AA' and AB, is more stable than the others. With smaller computational efforts than potential energy profile searching, we can study the effect of inter-layer stress on the stacking stability. Under isobaric condition, the sliding barrier increases by a few eV/(uc.GPa) from AA' to ABt, compared to 0.1 eV/(uc.GPa) from AB to [AB]. Moreover, we found that interlayer compressive stress can help enhance the transport properties of AA'. This study can help understand why inter-layer stress by dielectric gating materials can be an effective means to improving MoS2 on nanoelectronic applications. 展开更多
关键词 MOS2 stacking order climbing-image nudge-elastic band isobaric sliding
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Pressure-triggered stacking dependence of interlayer coupling in bilayer WS_(2)
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作者 Zejuan Zhang Chenyin Jiao +6 位作者 Shenghai Pei Xilong Zhou Jiaze Qin Wanli Zhang Yu Zhou Zenghui Wang Juan Xia 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2024年第8期177-186,共10页
Tungsten disulfide(WS_(2))has been reported to show negligible stacking dependence under ambient conditions,impeding its further explorations on physical properties and potential applications.Here,we realize efficient... Tungsten disulfide(WS_(2))has been reported to show negligible stacking dependence under ambient conditions,impeding its further explorations on physical properties and potential applications.Here,we realize efficient modulation of interlayer coupling in bilayer WS_(2)with 3R and 2H stackings by high pressure,and find that the pressure-triggered interlayer coupling and pressure-induced resonant-to-nonresonant transition exhibit prominent stacking dependence,which are experimentally observed for the first time in WS2.Our work may unleash the stacking degree of freedom in designing WS_(2)devices with tailored properties correlated to interlayer coupling. 展开更多
关键词 tungsten disulfide pressure engineering stacking order interlayer coupling
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CRYSTAL STRUCTURE OF A LONG-PERIOD ORDERED PHASE IN Fe-C MARTENSITE AND COMPUTER SIMULATION OF ITS ELECTRON DIFFRACTION PATTERNS
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作者 REN Xiaobing WANG Xiaotian +1 位作者 K.SHIMIZU T.TADAKI(National Laboratory of Solid State Microstructures,Nanjing University Nanjing 210093,China)(School of Materials Science and Engineering,Xi’an Jiaotong University Xi’an 710049,China)(Kanazawa Institute of Techn 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1996年第1期23-26,共4页
Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed t... Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed that the simulated ED pattern of γ'-FexC(Ⅱ) model proposed by the present authors is in good agreement with experimentally observed ED pattern.It was also confirmed that the incommensurate superperiod stems from the coexistence of several γ'-Fe_xC(H) phases with different superperiods.The Fe(144)C(24)(Fe6C) model proposed by Uwakweh et al.generated ED patterns remarkably different from the experimental ones. 展开更多
关键词 Fe-C martensite long-period ordered phase crystal structure computer simulation electron diffraction pattern
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TD-SCDMA/GSM/GPRS双模终端CELL CHANGE ORDER过程研究
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作者 田煚升 李贵勇 《电子测试》 2010年第10期36-42,共7页
随着TD-SCDMA系统的商用,同时需兼容已非常成熟运营的GSM系统,TD-SCDMA/GSM/GPRS双模终端已是市场的主流。本文针对双模单待终端(协议控制)CELL CHANGE ORDER过程进行研究,该过程是双模终端实现PS域切换的一种重要方式。首先,以TD-SCDMA... 随着TD-SCDMA系统的商用,同时需兼容已非常成熟运营的GSM系统,TD-SCDMA/GSM/GPRS双模终端已是市场的主流。本文针对双模单待终端(协议控制)CELL CHANGE ORDER过程进行研究,该过程是双模终端实现PS域切换的一种重要方式。首先,以TD-SCDMA/GSM/GPRS系统高层协议为基础介绍了双模单待自动切换终端的CELL CHANGE ORDER过程的各个阶段:系统间测量、网络判决及小区改变执行;然后详细地设计了小区改变执行的正常及异常处理流程,并对如何实现数据平面切换过程进行了重点描述;最后搭建板级测试环境,进行协议一致性测试,验证了CELL CHANGE ORDER过程的实现。 展开更多
关键词 双模终端 协议栈 CELL CHANGE order 数据平面 板级测试
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The role of melt cooling rate on the interface between 18R and Mg matrix in Mg_(97)Zn_(1)Y_(2) alloys
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作者 Q.Q.Jin X.H.Shao +5 位作者 J.M.Li Z.Z.Peng M.Lv B.Zhang Y.M.Li X.L.Ma 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2023年第8期2883-2890,共8页
The role of melt cooling rate on the interface morphology and dislocation configuration between 18R long-period stacking ordered(LPSO)structure and Mg matrix in Mg_(97)Zn_(1)Y_(2)(at.%)alloys was investigated by atomi... The role of melt cooling rate on the interface morphology and dislocation configuration between 18R long-period stacking ordered(LPSO)structure and Mg matrix in Mg_(97)Zn_(1)Y_(2)(at.%)alloys was investigated by atomic-scale HAADF-STEM imaging.The 18R/Mg interface is step-like both in the near-equilibrium alloy and non-equilibrium alloy.Lower cooling rate makes the step size more regular and larger.Only 54R structure can be observed at the interface in the near-equilibrium alloy,and the dislocations are highly ordered.54R and 54R′structure sandwiched by b1 and b2+b3 dislocation arrays,and new dislocation configuration can be detected at the interface in the non-equilibrium alloy,but the dislocations are less ordered.18R/Mg interface containing 54R or 54R′in equilibrium width,parallel to the(010)plane,should be most stable based on elastic calculation.The segregation of solute atoms and its strong interaction with dislocations dominate the LPSO/Mg interface via diffusion-displacive transformation. 展开更多
关键词 Magnesium alloys long-period stacking ordered phases Dislocations Interface structure
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