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
In the present paper,we study the effect of element substitution for quarter-filled nanoclusters of perovskite manganite by introducing Jahn-Teller type of perturbation interaction to the double-exchange Hamiltonian.U...In the present paper,we study the effect of element substitution for quarter-filled nanoclusters of perovskite manganite by introducing Jahn-Teller type of perturbation interaction to the double-exchange Hamiltonian.Using the unrestricted real-space Hartree-Fock approximation method we find that,the Jahn-Teller electron-phonon interaction plays the central role in producing the phase transition from ferromagnetic phase to CE type antiferromagnetic phase.Not only the Jahn-Teller interaction benefits antiferromagnetic correlation,it also increases the charge density order parameter.These theoretical results provide a guidance to predict the properties and modify the composition of particles of perovskite manganite under nano-scale.展开更多
In the present paper, we continue our investigation on the antiferromagneticorigin of the charge order observed in the halt-doped manganese. By introducing aSu-Schrieffer-Heeger (SSH) type of perturbation interaction ...In the present paper, we continue our investigation on the antiferromagneticorigin of the charge order observed in the halt-doped manganese. By introducing aSu-Schrieffer-Heeger (SSH) type of perturbation interaction to the double-exchange Hamiltonian, wecalculate again its ground-state phase diagram at Glling x = 0.5 by the unrestricted real-spaceHartree-Fock approximation method. We find that, as the SSH electron-phonon interaction increases,the charge order parameter decreases to zero rapidly but the CE-type antiferromagnetic order becomesmore stable. In other words, the charge order is much more fragile than the CE-type or theNeel-type antiferromagnetic orders under the electron-phonon perturbation. These results support theproposed theory in the recent publications that the charge order in these systems is induced by theantiferromagnetic correlations.展开更多
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
镁合金长周期堆垛有序相(Long Period Stacking Ordered,LPSO)微观结构的清晰描述对镁合金LPSO相形成及强化机制的研究具有十分重要的意义。借助第一原理计算及高分辨成像模拟研究,我们得到了难以通过实验方法获得的关于镁合金LPSO相原...镁合金长周期堆垛有序相(Long Period Stacking Ordered,LPSO)微观结构的清晰描述对镁合金LPSO相形成及强化机制的研究具有十分重要的意义。借助第一原理计算及高分辨成像模拟研究,我们得到了难以通过实验方法获得的关于镁合金LPSO相原子尺度微观结构的清晰描述。研究发现,Zn、Y合金元素在LPSO相中易于形成多种ZnmYn(Mg)团簇。基于Zn6Y8(Mg)团簇,我们构建了14H相晶体学模型Mg142Zn12Y16,其高分辨模拟像几乎再现了高分辨实验像。基于该模型,我们计算确定了14H相的热力学稳定性、弹性常数及弹性模量。此外,基于Mg-Zn-Y合金LPSO相的计算研究,我们推断X6Z8(Mg)团簇可看作镁合金Mg-X-Z中LPSO相形成的"特征结构单元",理论上可基于该"结构单元"构建相应镁合金LPSO相模型并通过计算方法判别该合金中LPSO相形成的可能性(X、Z为任一合金化元素)。展开更多
Higher-order topological phases give rise to new bulk and boundary physics,as well as new classes of topological phase transitions.While the realization of higher-order topological phases has been confirmed in many pl...Higher-order topological phases give rise to new bulk and boundary physics,as well as new classes of topological phase transitions.While the realization of higher-order topological phases has been confirmed in many platforms by detecting the existence of gapless boundary modes,a direct determination of the higher-order topology and related topological phase transitions through the bulk in experiments has still been lacking.To bridge the gap,in this work we carry out the simulation of a twodimensional second-order topological phase in a superconducting qubit.Owing to the great flexibility and controllability of the quantum simulator,we observe the realization of higher-order topology directly through the measurement of the pseudo-spin texture in momentum space of the bulk for the first time,in sharp contrast to previous experiments based on the detection of gapless boundary modes in real space.Also through the measurement of the evolution of pseudo-spin texture with parameters,we further observe novel topological phase transitions from the second-order topological phase to the trivial phase,as well as to the first-order topological phase with nonzero Chern number.Our work sheds new light on the study of higher-order topological phases and topological phase transitions.展开更多
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
基金This work is supported by the National Natural Science Foundation of China(grant number 51801214 and 51871222)Guangxi Science and Technology Base and Talents Special Project(Guike AD20297034)+2 种基金Liaoning Provincial Natural Science Foundation(2019-MS-335)Research Start-up Funding from Guangxi University of Science and Technology(No.03200150)Natural Science Foundation of Hebei Province of China(grant number E2020208083).
文摘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.
基金supported by the National Natural Science Foundation of China (Grant Nos. 50971011 and 10874003)the Beijing Natural Science Foundation (Grant No. 1102025)the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20091102110038)
文摘In the present paper,we study the effect of element substitution for quarter-filled nanoclusters of perovskite manganite by introducing Jahn-Teller type of perturbation interaction to the double-exchange Hamiltonian.Using the unrestricted real-space Hartree-Fock approximation method we find that,the Jahn-Teller electron-phonon interaction plays the central role in producing the phase transition from ferromagnetic phase to CE type antiferromagnetic phase.Not only the Jahn-Teller interaction benefits antiferromagnetic correlation,it also increases the charge density order parameter.These theoretical results provide a guidance to predict the properties and modify the composition of particles of perovskite manganite under nano-scale.
文摘In the present paper, we continue our investigation on the antiferromagneticorigin of the charge order observed in the halt-doped manganese. By introducing aSu-Schrieffer-Heeger (SSH) type of perturbation interaction to the double-exchange Hamiltonian, wecalculate again its ground-state phase diagram at Glling x = 0.5 by the unrestricted real-spaceHartree-Fock approximation method. We find that, as the SSH electron-phonon interaction increases,the charge order parameter decreases to zero rapidly but the CE-type antiferromagnetic order becomesmore stable. In other words, the charge order is much more fragile than the CE-type or theNeel-type antiferromagnetic orders under the electron-phonon perturbation. These results support theproposed theory in the recent publications that the charge order in these systems is induced by theantiferromagnetic correlations.
基金supported financially by the National Natural Science Foundation of China(Nos.51801214 and 51871222)the Liaoning Provincial Natural Science Foundation(No.2019-MS-335)。
文摘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.
文摘镁合金长周期堆垛有序相(Long Period Stacking Ordered,LPSO)微观结构的清晰描述对镁合金LPSO相形成及强化机制的研究具有十分重要的意义。借助第一原理计算及高分辨成像模拟研究,我们得到了难以通过实验方法获得的关于镁合金LPSO相原子尺度微观结构的清晰描述。研究发现,Zn、Y合金元素在LPSO相中易于形成多种ZnmYn(Mg)团簇。基于Zn6Y8(Mg)团簇,我们构建了14H相晶体学模型Mg142Zn12Y16,其高分辨模拟像几乎再现了高分辨实验像。基于该模型,我们计算确定了14H相的热力学稳定性、弹性常数及弹性模量。此外,基于Mg-Zn-Y合金LPSO相的计算研究,我们推断X6Z8(Mg)团簇可看作镁合金Mg-X-Z中LPSO相形成的"特征结构单元",理论上可基于该"结构单元"构建相应镁合金LPSO相模型并通过计算方法判别该合金中LPSO相形成的可能性(X、Z为任一合金化元素)。
基金supported by the Key-Area Research and Development Program of Guangdong Province(2018B030326001)the National Natural Science Foundation of China(U1801661 and 11904417)+4 种基金the Guangdong Innovative and Entrepreneurial Research Team Program(2016ZT06D348)the Guangdong Provincial Key Laboratory(2019B121203002)the Natural Science Foundation of Guangdong Province(2017B030308003)the Science,Technology and Innovation Commission of Shenzhen Municipality(JCYJ20170412152620376,and KYTDPT20181011104202253)the NSF of Beijing(Z190012)。
文摘Higher-order topological phases give rise to new bulk and boundary physics,as well as new classes of topological phase transitions.While the realization of higher-order topological phases has been confirmed in many platforms by detecting the existence of gapless boundary modes,a direct determination of the higher-order topology and related topological phase transitions through the bulk in experiments has still been lacking.To bridge the gap,in this work we carry out the simulation of a twodimensional second-order topological phase in a superconducting qubit.Owing to the great flexibility and controllability of the quantum simulator,we observe the realization of higher-order topology directly through the measurement of the pseudo-spin texture in momentum space of the bulk for the first time,in sharp contrast to previous experiments based on the detection of gapless boundary modes in real space.Also through the measurement of the evolution of pseudo-spin texture with parameters,we further observe novel topological phase transitions from the second-order topological phase to the trivial phase,as well as to the first-order topological phase with nonzero Chern number.Our work sheds new light on the study of higher-order topological phases and topological phase transitions.
基金supported by JSPS KAKENHI for Scientific Research on Innovative Areas “Materials Science of a Millefeuille Structure (Grant Nos. JP18H05475, JP18H05479)”“Nanotechnology Platform” of the MEXT, Japan+1 种基金supported by Grant-in-Aid for JSPS Fellows (JP19F19775)the Open Funds of the State Key Laboratory of Rare Earth Resource Utilization (RERU2020012)。
文摘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.
