A larger-scale Mg70Zn30 alloy system including 100000 atoms has been simulated by using the molecular dynamics method to investigate the icosahedral medium-range order （IMRO） formed in the MgToZn30 metallic glass. I...A larger-scale Mg70Zn30 alloy system including 100000 atoms has been simulated by using the molecular dynamics method to investigate the icosahedral medium-range order （IMRO） formed in the MgToZn30 metallic glass. It is found that the simulated pair distribution function of Mg70Zn30 metallic glass is in good agreement with the experimental results. The glass transition temperature Tg is near 450 K under the cooling rate of 1×10^12 K/s. The icosahedral local structures play a critical role in the formation of metallic glass, and they are the dominant local configurations in the Mg70Zn30 metallic glass. The IMRO in the Mg70Zn30 metallic glass is characterized by certain types of extended icosahedral clusters combined by intercross-sharing atoms in the form of chains or dendrites. The size distributions of these IMRO clusters present a magic number sequence of 19, 23, 25, 27, 29, 31, 33, 35, 37, 39,..., and the magic clusters can be classified into three types according to their compactness. The IMRO clusters grow rapidly in a low-dimensional way with cooling, but this growth is limited near Tg.展开更多
The molecular-dynamics (MD) simulation was carried out to investigate the structure of medium-range order (MRO) of a liquid Al 5Fe 2 alloy. Prepeak is observed in the structure factor S(Q), which is considered as the ...The molecular-dynamics (MD) simulation was carried out to investigate the structure of medium-range order (MRO) of a liquid Al 5Fe 2 alloy. Prepeak is observed in the structure factor S(Q), which is considered as the signature of MRO. Results from MD simulation and experiment agree well with each other, which proves reliability of the simulation. It is found from the calculated Ashcroft-Langreth structure factors that there exists strong interactional force between atom Al and Fe, which results in the great concentration fluctuation, i.e. the chemical order, in the liquid Al 5Fe 2. Both the chemical order parameter, α , and the Bhatis-Thornton(BT)structure factors indicate the preference for unlike-neighbor bonds. It is seen from the low-Q domain of S(Q) and the concentration-concentration structure factor S CC(Q) that the prepeak mainly comes from the first peak of S CC(Q). The structural model, which reflects the characteristic of MRO, is also constructed .展开更多
Fe-based metallic glasses are promising functional materials for advanced magnetism and sensor fields.Tailoring magnetic performance in amorphous materials requires a thorough knowledge of the correlation between stru...Fe-based metallic glasses are promising functional materials for advanced magnetism and sensor fields.Tailoring magnetic performance in amorphous materials requires a thorough knowledge of the correlation between structural disorder and magnetic order,which remains ambiguous.Two practical difficulties remain:the first is directly observing subtle magnetic structural changes on multiple scales,and the second is precisely regulating the various amorphous states.Here we propose a novel approach to tailor the amorphous structure through the liquid-liquid phase transition.In-situ synchrotron diffraction has unraveled a medium-range ordering process dominated by edge-sharing cluster connectivity during the liquid-liquid phase transition.Moreover,nanodomains with topological order have been found to exist in composition with liquid-liquid phase transition,manifesting as hexagonal patterns in small-angle neutron scattering profiles.The liquid-liquid phase transition can induce the nanodomains to be more locally ordered,generating stronger exchange interactions due to the reduced Fe–Fe bond length and the enhanced structural order,leading to the increment of saturation magnetization.Furthermore,the increased local heterogeneity at the medium-range scale enhances the magnetic anisotropy,promoting the permeability response under applied stress and leading to a better stress-impedance effect.These experimental results pave the way to tailor the magnetic structure and performance through the liquid-liquid phase transition.展开更多
Developing ductile bulk metallic glasses(BMGs)can benefit from an in-depth understanding of the structure-property relation during plastic deformation.However,endowing BMGs with tensile ductility in BMGs needs to reve...Developing ductile bulk metallic glasses(BMGs)can benefit from an in-depth understanding of the structure-property relation during plastic deformation.However,endowing BMGs with tensile ductility in BMGs needs to reveal the response of critical structure units during deformation.Here,we report the experimental results of an in-situ synchrotron high-energy X-ray study of a Zr-based BMG under uniaxial tension after preprocessing by canning compression of the three-dimensional compressive stress state.It is revealed that the canning-compressed BMG(CC-BMG)sample has better tensile ductility and higher ultimate strength than the as-cast sample,which possesses heterogeneous and loosely packed local struc-tures on medium-range scales.The experimental results revealed two stages of plastic deformation in the CC-BMGs compared with one stage of plastic deformation in the as-cast BMG.Moreover,the shift in the first sharp diffraction peak along the tension direction for the canning-compressed sample is substan-tially more pronounced than that of the as-cast sample.Furthermore,the real-space analysis illustrates a competition mechanism between the 2-atom and 3-atom connection modes on medium-range order during the plastic deformation of the CC-BMG.Additionally,the ordering on the medium-range scale de-creases in the first plastic deformation stage but increases in the second plastic deformation stage.There-fore,a structural crossover phenomenon occurs in the CC-BMG during plastic deformation.Our results demonstrate a structure-property correlation for the CC-BMGs of heterogeneous medium-range ordered structures,which may be beneficial for endowing BMGs with ductility based on medium-range order engineering techniques.展开更多
Engineering multiscale structural hierarchies in glassy alloys enable a broad spectrum of potential applications.Metallic glasses were born in hierarchical structures from atomic-to-nanometer scales.However,the frozen...Engineering multiscale structural hierarchies in glassy alloys enable a broad spectrum of potential applications.Metallic glasses were born in hierarchical structures from atomic-to-nanometer scales.However,the frozen-in structures in traditional metallic glasses prepared by rapid quenching techniques are challenging to tailor.Here,we show that a PdNiPbulk nanostructured glass of polyamorphous interfacial structures was prepared by inert-gas condensation with a laser evaporation source,and its multiscale structures could be engineered.In-situ scattering experiment results reveal polyamorphous phase transitions occurred in the interfacial regions,which are accompanied by the evolution of medium-range order and the nanoscale heterogeneous structures during the condensation process of glassy nanoparticles under high pressure and the following heating process.Moreover,changes in the cluster connectivity resulting from repacking of the local ordering induced by pressure and temperature could be observed.The thermophysical and mechanical properties,including boson peaks,hardness,and elasticity modulus,could be changed as a function of heat-treatment parameters.Our findings would shed light on the synthesis of bulk nanostructured glassy alloys with tailorable thermodynamic and dynamical behavior as well as mechanical properties based on the understanding of metastability for polyamorphous interfacial phases.展开更多
Lithium-sulfur batteries(LSBs)have drawn significant attention owing to their high theoretical discharge capacity and energy density.However,the dissolution of long-chain polysulfides into the electrolyte during the c...Lithium-sulfur batteries(LSBs)have drawn significant attention owing to their high theoretical discharge capacity and energy density.However,the dissolution of long-chain polysulfides into the electrolyte during the charge and discharge process(“shuttle effect”)results in fast capacity fading and inferior electrochemical performance.In this study,Mn_(2)O_(3)with an ordered mesoporous structure(OM-Mn_(2)O_(3))was designed as a cathode host for LSBs via KIT-6 hard templating,to effectively inhibit the polysulfide shuttle effect.OM-Mn_(2)O_(3)offers numerous pores to confine sulfur and tightly anchor the dissolved polysulfides through the combined effects of strong polar-polar interactions,polysulfides,and sulfur chain catenation.The OM-Mn_(2)O_(3)/S composite electrode delivered a discharge capacity of 561 mAh g^(-1) after 250 cycles at 0.5 C owing to the excellent performance of OM-Mn_(2)O_(3).Furthermore,it retained a discharge capacity of 628mA h g^(-1) even at a rate of 2 C,which was significantly higher than that of a pristine sulfur electrode(206mA h g^(-1)).These findings provide a prospective strategy for designing cathode materials for high-performance LSBs.展开更多
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
The novel Fe-N co-doped ordered mesoporous carbon with high catalytic activity in m-cresol removal was prepared by urea-assisted impregnation and simple pyrolysis method.During the preparation of the Fe-NC catalyst,th...The novel Fe-N co-doped ordered mesoporous carbon with high catalytic activity in m-cresol removal was prepared by urea-assisted impregnation and simple pyrolysis method.During the preparation of the Fe-NC catalyst,the complexation of N elements in urea could anchor Fe,and the formation of C3N4during urea pyrolysis could also prevent migration and aggregation of Fe species,which jointly improve the dispersion and stability of Fe.The FeN4sites and highly dispersed Fe nanoparticles synergistically trigger the dual-site peroxymonosulfate (PMS) activation for highly efficient m-cresol degradation,while the ordered mesoporous structure of the catalyst could improve the mass transfer rate of the catalytic process,which together promote catalytic degradation of m-cresol by PMS activation.Reactive oxygen species (ROS) analytic experiments demonstrate that the system degrades m-cresol by free radical pathway mainly based on SO_(4)^(-)·and·OH,and partially based on·OH as the active components,and a possible PMS activation mechanism by 5Fe-50 for m-cresol degradation was proposed.This study can provide theoretical guidance for the preparation of efficient and stable catalysts for the degradation of organic pollutants by activated PMS.展开更多
The lottery has long captivated the imagination of players worldwide, offering the tantalizing possibility of life-changing wins. While winning the lottery is largely a matter of chance, as lottery drawings are typica...The lottery has long captivated the imagination of players worldwide, offering the tantalizing possibility of life-changing wins. While winning the lottery is largely a matter of chance, as lottery drawings are typically random and unpredictable. Some people use the lottery terminal randomly generates numbers for them, some players choose numbers that hold personal significance to them, such as birthdays, anniversaries, or other important dates, some enthusiasts have turned to statistical analysis as a means to analyze past winning numbers identify patterns or frequencies. In this paper, we use order statistics to estimate the probability of specific order of numbers or number combinations being drawn in future drawings.展开更多
Site disorder exists in some practical semiconductors and can significantly impact their intrinsic properties both beneficially and detrimentally.However,the uncertain local order and structure pose a challenge for ex...Site disorder exists in some practical semiconductors and can significantly impact their intrinsic properties both beneficially and detrimentally.However,the uncertain local order and structure pose a challenge for experimental and theoretical research.Especially,it hinders the investigation of the effects of the diverse local atomic environments resulting from the site disorder.We employ the special quasi-random structure method to perform first-principles research on connection between local site disorder and electronic/optical properties,using cationdisordered AgBiS_(2)(rock salt phase)as an example.We predict that cation-disordered AgBiS_(2)has a bandgap ranging from 0.6 to 0.8 eV without spin-orbit coupling and that spin-orbit coupling reduces this by approximately 0.3 eV.We observe the effects of local structural features in the disordered lattice,such as the one-dimensional chain-like aggregation of cations that results in formation of doping energy bands near the band edges,formation and broadening of band-tail states,and the disturbance in the local electrostatic potential,which significantly reduces the bandgap and stability.The influence of these ordered features on the optical properties is confined to alterations in the bandgap and does not markedly affect the joint density of states or optical absorption.Our study provides a research roadmap for exploring the electronic structure of site-disordered semiconductor materials,suggests that the ordered chain-like aggregation of cations is an effective way to regulate the bandgap of AgBiS_(2),and provides insight into how variations in local order associated with processing can affect properties.展开更多
We study the effect of particle size polydispersity(δ) on the melting transition(T*), local ordering, solid–liquid coexistence phase and dynamics of two-dimensional Lennard–Jones fluids up to moderate polydispersit...We study the effect of particle size polydispersity(δ) on the melting transition(T*), local ordering, solid–liquid coexistence phase and dynamics of two-dimensional Lennard–Jones fluids up to moderate polydispersity by means of computer simulations. The particle sizes are drawn at random from the Gaussian(G) and uniform(U) distribution functions.For these systems, we further consider two different kinds of particles, viz., particles having the same mass irrespective of size, and in the other case the mass of the particle scales with its size. It is observed that with increasing polydispersity,the value of T*initially increases due to improved packing efficiency(φ) followed by a decrease and terminates at δ ≈8%(U-system) and 14%(G-system) with no significant difference for both mass types. The interesting observation is that the particular value at which φ drops suddenly coincides with the peak of the heat capacity(CP) curve, indicating a transition. The quantification of local particle ordering through the hexatic order parameter(Q_6), Voronoi construction and pair correlation function reveals that the ordering decreases with increasing δ and T. Furthermore, the solid–liquid coexistence region for the G-system is shown to be comparatively wider in the T –δ plane phase diagram than that for the U system. Finally, the study of dynamics reveals that polydisperse systems relax faster compared to monodisperse systems;however, no significant qualitative differences, depending on the distribution type and mass polydispersity, are observed.展开更多
In recent years,fractional-order chaotic maps have been paid more attention in publications because of the memory effect.This paper presents a novel variable-order fractional sine map(VFSM)based on the discrete fracti...In recent years,fractional-order chaotic maps have been paid more attention in publications because of the memory effect.This paper presents a novel variable-order fractional sine map(VFSM)based on the discrete fractional calculus.Specially,the order is defined as an iterative function that incorporates the current state of the system.By analyzing phase diagrams,time sequences,bifurcations,Lyapunov exponents and fuzzy entropy complexity,the dynamics of the proposed map are investigated comparing with the constant-order fractional sine map.The results reveal that the variable order has a good effect on improving the chaotic performance,and it enlarges the range of available parameter values as well as reduces non-chaotic windows.Multiple coexisting attractors also enrich the dynamics of VFSM and prove its sensitivity to initial values.Moreover,the sequence generated by the proposed map passes the statistical test for pseudorandom number and shows strong robustness to parameter estimation,which proves the potential applications in the field of information security.展开更多
We theoretically investigate the Ruderman–Kittel–Kasuya–Yosida(RKKY) interaction in helical higher-order topological insulators(HOTIs), revealing distinct behaviors mediated by hinge and Dirac-type bulk carriers. O...We theoretically investigate the Ruderman–Kittel–Kasuya–Yosida(RKKY) interaction in helical higher-order topological insulators(HOTIs), revealing distinct behaviors mediated by hinge and Dirac-type bulk carriers. Our findings show that hinge-mediated interactions consist of Heisenberg, Ising, and Dzyaloshinskii–Moriya(DM) terms, exhibiting a decay with impurity spacing z and oscillations with Fermi energy εF. These interactions demonstrate ferromagnetic behaviors for the Heisenberg and Ising terms and alternating behavior for the DM term. In contrast, bulk-mediated interactions include Heisenberg, twisted Ising, and DM terms, with a conventional cubic oscillating decay. This study highlights the nuanced interplay between hinge and bulk RKKY interactions in HOTIs, offering insights into designs of next-generation quantum devices based on HOTIs.展开更多
This article proposes a novel fractional heterogeneous neural network by coupling a Rulkov neuron with a Hopfield neural network(FRHNN),utilizing memristors for emulating neural synapses.The study firstly demonstrates...This article proposes a novel fractional heterogeneous neural network by coupling a Rulkov neuron with a Hopfield neural network(FRHNN),utilizing memristors for emulating neural synapses.The study firstly demonstrates the coexistence of multiple firing patterns through phase diagrams,Lyapunov exponents(LEs),and bifurcation diagrams.Secondly,the parameter related firing behaviors are described through two-parameter bifurcation diagrams.Subsequently,local attraction basins reveal multi-stability phenomena related to initial values.Moreover,the proposed model is implemented on a microcomputer-based ARM platform,and the experimental results correspond to the numerical simulations.Finally,the article explores the application of digital watermarking for medical images,illustrating its features of excellent imperceptibility,extensive key space,and robustness against attacks including noise and cropping.展开更多
Pedestrian self-organizing movement plays a significant role in evacuation studies and architectural design.Lane formation,a typical self-organizing phenomenon,helps pedestrian system to become more orderly,the majori...Pedestrian self-organizing movement plays a significant role in evacuation studies and architectural design.Lane formation,a typical self-organizing phenomenon,helps pedestrian system to become more orderly,the majority of following behavior model and overtaking behavior model are imprecise and unrealistic compared with pedestrian movement in the real world.In this study,a pedestrian dynamic model considering detailed modelling of the following behavior and overtaking behavior is constructed,and a method of measuring the lane formation and pedestrian system order based on information entropy is proposed.Simulation and analysis demonstrate that the following and avoidance behaviors are important factors of lane formation.A high tendency of following results in good lane formation.Both non-selective following behavior and aggressive overtaking behavior cause the system order to decrease.The most orderly following strategy for a pedestrian is to overtake the former pedestrian whose speed is lower than approximately 70%of his own.The influence of the obstacle layout on pedestrian lane and egress efficiency is also studied with this model.The presence of a small obstacle does not obstruct the walking of pedestrians;in contrast,it may help to improve the egress efficiency by guiding the pedestrian flow and mitigating the reduction of pedestrian system orderliness.展开更多
In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular...In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.展开更多
In this paper,we investigate the reverse order law for Drazin inverse of three bound-ed linear operators under some commutation relations.Moreover,the Drazin invertibility of sum is also obtained for two bounded linea...In this paper,we investigate the reverse order law for Drazin inverse of three bound-ed linear operators under some commutation relations.Moreover,the Drazin invertibility of sum is also obtained for two bounded linear operators and its expression is presented.展开更多
Structures of molten metals Cu and Al, alloys Cu?Al, Al?Ni, Al?Fe and, Al?Si were investigated by using high temperature X-ray diffractometer. It has been found that there are not only shortrange order structures (SRO...Structures of molten metals Cu and Al, alloys Cu?Al, Al?Ni, Al?Fe and, Al?Si were investigated by using high temperature X-ray diffractometer. It has been found that there are not only shortrange order structures (SRO) but also medium range order structures (MRO) in Cu?Al, Al?Ni, Al?Fe alloy melts. There are only short-range order structures in the pure metals Cu and Al and Al?Si alloy melts at different temperatures. It has also been found that the presence and the disappearance of the MRO structures in molten metals are a function of temperature. Moreover, the pre-peak in the structure factor is an indication of MRO in molten metals. There is a pre-peak in each structure factor S(Q) of Al?Fe alloy melt containing 14 wt% Fe, 16 wt% Fe and 19 wt% Fe at 1550°C, showing that there are the medium range order structures in these alloy melts. For Al-35 wt% Ni alloy, the pre-peak exists in S(Q) when the temperature is lower than 1300°C, and it is weakened drastically when the temperature surpasses 1300°C. The pre-peak occurs at values of scattering vector Q=18.5 nm?1 in the structural factor of Cu-12 wt %Al alloy melts at 1250°C. The height of the pre-peak in the melt decreases with increasing temperature. These results show that there exist not only the SRO structure but also MRO structure in the Al-TM melts, and the MRO is correspondent to the tendency of formation of chemical compound. The formation mechanism of the MRO is also studied in this work. Based on the measured results of Cu?Al alloy, a model of the MRO is presented.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No. 50831003)the Special Fund for Basic Scientific Research of Central Colleges, Chang’an Univeristy (Grant No. CHD2009JC169)
文摘A larger-scale Mg70Zn30 alloy system including 100000 atoms has been simulated by using the molecular dynamics method to investigate the icosahedral medium-range order （IMRO） formed in the MgToZn30 metallic glass. It is found that the simulated pair distribution function of Mg70Zn30 metallic glass is in good agreement with the experimental results. The glass transition temperature Tg is near 450 K under the cooling rate of 1×10^12 K/s. The icosahedral local structures play a critical role in the formation of metallic glass, and they are the dominant local configurations in the Mg70Zn30 metallic glass. The IMRO in the Mg70Zn30 metallic glass is characterized by certain types of extended icosahedral clusters combined by intercross-sharing atoms in the form of chains or dendrites. The size distributions of these IMRO clusters present a magic number sequence of 19, 23, 25, 27, 29, 31, 33, 35, 37, 39,..., and the magic clusters can be classified into three types according to their compactness. The IMRO clusters grow rapidly in a low-dimensional way with cooling, but this growth is limited near Tg.
文摘The molecular-dynamics (MD) simulation was carried out to investigate the structure of medium-range order (MRO) of a liquid Al 5Fe 2 alloy. Prepeak is observed in the structure factor S(Q), which is considered as the signature of MRO. Results from MD simulation and experiment agree well with each other, which proves reliability of the simulation. It is found from the calculated Ashcroft-Langreth structure factors that there exists strong interactional force between atom Al and Fe, which results in the great concentration fluctuation, i.e. the chemical order, in the liquid Al 5Fe 2. Both the chemical order parameter, α , and the Bhatis-Thornton(BT)structure factors indicate the preference for unlike-neighbor bonds. It is seen from the low-Q domain of S(Q) and the concentration-concentration structure factor S CC(Q) that the prepeak mainly comes from the first peak of S CC(Q). The structural model, which reflects the characteristic of MRO, is also constructed .
基金financially supported by the National Key R&D Program of China(No.2021YFB3802800)the Natural Science Foundation of Jiangsu Province(No.BK20200019)+6 种基金the National Natural Science Foundation of China(Nos.52222104,12261160364,51871120,and 51520105001)support from the Guangdong-Hong Kong-Macao Joint Laboratory for Neutron Scattering Science and Technologysupport of the Shenzhen Science and Technology Innovation Committee(No.JCYJ20170413140446951)partial support by the Research Grants Council of the Hong Kong Special Administrative Region,Project N_CityU173/22support of the National Natural Science Foundation of China(No.12275154)the Guangdong Basic and Applied Basic Research Foundation(No.2021B1515140028)supported by the US DOE Office of Science,Office of Basic Energy Sciences.
文摘Fe-based metallic glasses are promising functional materials for advanced magnetism and sensor fields.Tailoring magnetic performance in amorphous materials requires a thorough knowledge of the correlation between structural disorder and magnetic order,which remains ambiguous.Two practical difficulties remain:the first is directly observing subtle magnetic structural changes on multiple scales,and the second is precisely regulating the various amorphous states.Here we propose a novel approach to tailor the amorphous structure through the liquid-liquid phase transition.In-situ synchrotron diffraction has unraveled a medium-range ordering process dominated by edge-sharing cluster connectivity during the liquid-liquid phase transition.Moreover,nanodomains with topological order have been found to exist in composition with liquid-liquid phase transition,manifesting as hexagonal patterns in small-angle neutron scattering profiles.The liquid-liquid phase transition can induce the nanodomains to be more locally ordered,generating stronger exchange interactions due to the reduced Fe–Fe bond length and the enhanced structural order,leading to the increment of saturation magnetization.Furthermore,the increased local heterogeneity at the medium-range scale enhances the magnetic anisotropy,promoting the permeability response under applied stress and leading to a better stress-impedance effect.These experimental results pave the way to tailor the magnetic structure and performance through the liquid-liquid phase transition.
基金the National Key R&D Program of China(No.2021YFB3802800)the National Natural Sci-ence Foundation of China(Nos.52222104,12261160364,51871120 and 51520105001)+3 种基金the Natural Science Foundation of Jiangsu Province(No.BK20200019)Si Lan acknowledges the support by Guangdong-Hong Kong-Macao Joint Laboratory for Neutron Scat-tering Science and Technology and Shenzhen Science and Technol-ogy Innovation Commission(No.JCYJ20200109105618137)the resources of the China Spallation Neutron Source located in Dongguan,China,and the Advanced Photon Source,a US Department of Energy(DOE)Office of Science User Facility op-erated for the DOE Office of Science by Argonne National Labora-tory under Contract No.DE-AC02-06CH11357the US DOE Office of Science,Office of Basic Energy Sciences.The neutron scattering experiments carried out at the Spallation Neutron Source were sponsored by the Scientific User Facilities Di-vision,Office of Basic Energy Sciences,U.S.Department of Energy,under Contract No.DE-AC05-00OR22725 with Oak Ridge National Laboratory.
文摘Developing ductile bulk metallic glasses(BMGs)can benefit from an in-depth understanding of the structure-property relation during plastic deformation.However,endowing BMGs with tensile ductility in BMGs needs to reveal the response of critical structure units during deformation.Here,we report the experimental results of an in-situ synchrotron high-energy X-ray study of a Zr-based BMG under uniaxial tension after preprocessing by canning compression of the three-dimensional compressive stress state.It is revealed that the canning-compressed BMG(CC-BMG)sample has better tensile ductility and higher ultimate strength than the as-cast sample,which possesses heterogeneous and loosely packed local struc-tures on medium-range scales.The experimental results revealed two stages of plastic deformation in the CC-BMGs compared with one stage of plastic deformation in the as-cast BMG.Moreover,the shift in the first sharp diffraction peak along the tension direction for the canning-compressed sample is substan-tially more pronounced than that of the as-cast sample.Furthermore,the real-space analysis illustrates a competition mechanism between the 2-atom and 3-atom connection modes on medium-range order during the plastic deformation of the CC-BMG.Additionally,the ordering on the medium-range scale de-creases in the first plastic deformation stage but increases in the second plastic deformation stage.There-fore,a structural crossover phenomenon occurs in the CC-BMG during plastic deformation.Our results demonstrate a structure-property correlation for the CC-BMGs of heterogeneous medium-range ordered structures,which may be beneficial for endowing BMGs with ductility based on medium-range order engineering techniques.
基金financially supported by the National Key R&D Program of China(No.2021YFB3802800)the National Natural Science Foundation of China(No.51871120)+8 种基金the Natural Science Foundation of Jiangsu Province(No.BK20200019)the Fundamental Research Funds for the Central Universities(Nos.309190111073092001000430919011404)supports by Guangdong-Hong Kong-Macao Joint Laboratory for Neutron Scattering Science and Technology and Shenzhen Science and Technology Innovation Commission(No.JCYJ202000109105618137)support from Qing Lan project and the distinguished professor project of Jiangsu provincesupport by the Shenzhen Science and Technology Innovation Committee(No.JCYJ20170413140446951)the Ministry of Science and Technology of China(No.2016YFA0401501)supported by the US DOE Office of Science,Office of Basic Energy Sciences。
文摘Engineering multiscale structural hierarchies in glassy alloys enable a broad spectrum of potential applications.Metallic glasses were born in hierarchical structures from atomic-to-nanometer scales.However,the frozen-in structures in traditional metallic glasses prepared by rapid quenching techniques are challenging to tailor.Here,we show that a PdNiPbulk nanostructured glass of polyamorphous interfacial structures was prepared by inert-gas condensation with a laser evaporation source,and its multiscale structures could be engineered.In-situ scattering experiment results reveal polyamorphous phase transitions occurred in the interfacial regions,which are accompanied by the evolution of medium-range order and the nanoscale heterogeneous structures during the condensation process of glassy nanoparticles under high pressure and the following heating process.Moreover,changes in the cluster connectivity resulting from repacking of the local ordering induced by pressure and temperature could be observed.The thermophysical and mechanical properties,including boson peaks,hardness,and elasticity modulus,could be changed as a function of heat-treatment parameters.Our findings would shed light on the synthesis of bulk nanostructured glassy alloys with tailorable thermodynamic and dynamical behavior as well as mechanical properties based on the understanding of metastability for polyamorphous interfacial phases.
基金Ministry of Trade,Industry and Energy,Grant/Award Number:20010095Korea Evaluation Institute of Industrial Technology,Grant/Award Number:20012341。
文摘Lithium-sulfur batteries(LSBs)have drawn significant attention owing to their high theoretical discharge capacity and energy density.However,the dissolution of long-chain polysulfides into the electrolyte during the charge and discharge process(“shuttle effect”)results in fast capacity fading and inferior electrochemical performance.In this study,Mn_(2)O_(3)with an ordered mesoporous structure(OM-Mn_(2)O_(3))was designed as a cathode host for LSBs via KIT-6 hard templating,to effectively inhibit the polysulfide shuttle effect.OM-Mn_(2)O_(3)offers numerous pores to confine sulfur and tightly anchor the dissolved polysulfides through the combined effects of strong polar-polar interactions,polysulfides,and sulfur chain catenation.The OM-Mn_(2)O_(3)/S composite electrode delivered a discharge capacity of 561 mAh g^(-1) after 250 cycles at 0.5 C owing to the excellent performance of OM-Mn_(2)O_(3).Furthermore,it retained a discharge capacity of 628mA h g^(-1) even at a rate of 2 C,which was significantly higher than that of a pristine sulfur electrode(206mA h g^(-1)).These findings provide a prospective strategy for designing cathode materials for high-performance LSBs.
基金supported by the National Key Research and Development Program of China[grant No.2018YFB2001800]National Natural Science Foundation of China[grant No.51871184]Dalian High-level Talents Innovation Support Program[grant No.2021RD06]。
文摘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.
基金gratefully acknowledge the financial support of the National Natural Science Foundation of China(22108145 and 21978143)the Shandong Province Natural Science Foundation(ZR2020QB189)+1 种基金State Key Laboratory of Heavy Oil Processing(SKLHOP202203008)the Talent Foundation funded by Province and Ministry Co-construction Collaborative Innovation Center of Eco-chemical Engineering(STHGYX2201).
文摘The novel Fe-N co-doped ordered mesoporous carbon with high catalytic activity in m-cresol removal was prepared by urea-assisted impregnation and simple pyrolysis method.During the preparation of the Fe-NC catalyst,the complexation of N elements in urea could anchor Fe,and the formation of C3N4during urea pyrolysis could also prevent migration and aggregation of Fe species,which jointly improve the dispersion and stability of Fe.The FeN4sites and highly dispersed Fe nanoparticles synergistically trigger the dual-site peroxymonosulfate (PMS) activation for highly efficient m-cresol degradation,while the ordered mesoporous structure of the catalyst could improve the mass transfer rate of the catalytic process,which together promote catalytic degradation of m-cresol by PMS activation.Reactive oxygen species (ROS) analytic experiments demonstrate that the system degrades m-cresol by free radical pathway mainly based on SO_(4)^(-)·and·OH,and partially based on·OH as the active components,and a possible PMS activation mechanism by 5Fe-50 for m-cresol degradation was proposed.This study can provide theoretical guidance for the preparation of efficient and stable catalysts for the degradation of organic pollutants by activated PMS.
文摘The lottery has long captivated the imagination of players worldwide, offering the tantalizing possibility of life-changing wins. While winning the lottery is largely a matter of chance, as lottery drawings are typically random and unpredictable. Some people use the lottery terminal randomly generates numbers for them, some players choose numbers that hold personal significance to them, such as birthdays, anniversaries, or other important dates, some enthusiasts have turned to statistical analysis as a means to analyze past winning numbers identify patterns or frequencies. In this paper, we use order statistics to estimate the probability of specific order of numbers or number combinations being drawn in future drawings.
基金supported by the National Natural Science Foundation of China(Grant Nos.62125402,22090044,and 12350410372)the National Key Research and Development Program of China(Grant No.2022YFA1402501)Graduate Innovation Fund of Jilin University(Grant No.2022118)。
文摘Site disorder exists in some practical semiconductors and can significantly impact their intrinsic properties both beneficially and detrimentally.However,the uncertain local order and structure pose a challenge for experimental and theoretical research.Especially,it hinders the investigation of the effects of the diverse local atomic environments resulting from the site disorder.We employ the special quasi-random structure method to perform first-principles research on connection between local site disorder and electronic/optical properties,using cationdisordered AgBiS_(2)(rock salt phase)as an example.We predict that cation-disordered AgBiS_(2)has a bandgap ranging from 0.6 to 0.8 eV without spin-orbit coupling and that spin-orbit coupling reduces this by approximately 0.3 eV.We observe the effects of local structural features in the disordered lattice,such as the one-dimensional chain-like aggregation of cations that results in formation of doping energy bands near the band edges,formation and broadening of band-tail states,and the disturbance in the local electrostatic potential,which significantly reduces the bandgap and stability.The influence of these ordered features on the optical properties is confined to alterations in the bandgap and does not markedly affect the joint density of states or optical absorption.Our study provides a research roadmap for exploring the electronic structure of site-disordered semiconductor materials,suggests that the ordered chain-like aggregation of cations is an effective way to regulate the bandgap of AgBiS_(2),and provides insight into how variations in local order associated with processing can affect properties.
文摘We study the effect of particle size polydispersity(δ) on the melting transition(T*), local ordering, solid–liquid coexistence phase and dynamics of two-dimensional Lennard–Jones fluids up to moderate polydispersity by means of computer simulations. The particle sizes are drawn at random from the Gaussian(G) and uniform(U) distribution functions.For these systems, we further consider two different kinds of particles, viz., particles having the same mass irrespective of size, and in the other case the mass of the particle scales with its size. It is observed that with increasing polydispersity,the value of T*initially increases due to improved packing efficiency(φ) followed by a decrease and terminates at δ ≈8%(U-system) and 14%(G-system) with no significant difference for both mass types. The interesting observation is that the particular value at which φ drops suddenly coincides with the peak of the heat capacity(CP) curve, indicating a transition. The quantification of local particle ordering through the hexatic order parameter(Q_6), Voronoi construction and pair correlation function reveals that the ordering decreases with increasing δ and T. Furthermore, the solid–liquid coexistence region for the G-system is shown to be comparatively wider in the T –δ plane phase diagram than that for the U system. Finally, the study of dynamics reveals that polydisperse systems relax faster compared to monodisperse systems;however, no significant qualitative differences, depending on the distribution type and mass polydispersity, are observed.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.62071496,61901530,and 62061008)the Natural Science Foundation of Hunan Province of China(Grant No.2020JJ5767).
文摘In recent years,fractional-order chaotic maps have been paid more attention in publications because of the memory effect.This paper presents a novel variable-order fractional sine map(VFSM)based on the discrete fractional calculus.Specially,the order is defined as an iterative function that incorporates the current state of the system.By analyzing phase diagrams,time sequences,bifurcations,Lyapunov exponents and fuzzy entropy complexity,the dynamics of the proposed map are investigated comparing with the constant-order fractional sine map.The results reveal that the variable order has a good effect on improving the chaotic performance,and it enlarges the range of available parameter values as well as reduces non-chaotic windows.Multiple coexisting attractors also enrich the dynamics of VFSM and prove its sensitivity to initial values.Moreover,the sequence generated by the proposed map passes the statistical test for pseudorandom number and shows strong robustness to parameter estimation,which proves the potential applications in the field of information security.
基金supported by the research foundation of Institute for Advanced Sciences of CQUPT(Grant No.E011A2022328)。
文摘We theoretically investigate the Ruderman–Kittel–Kasuya–Yosida(RKKY) interaction in helical higher-order topological insulators(HOTIs), revealing distinct behaviors mediated by hinge and Dirac-type bulk carriers. Our findings show that hinge-mediated interactions consist of Heisenberg, Ising, and Dzyaloshinskii–Moriya(DM) terms, exhibiting a decay with impurity spacing z and oscillations with Fermi energy εF. These interactions demonstrate ferromagnetic behaviors for the Heisenberg and Ising terms and alternating behavior for the DM term. In contrast, bulk-mediated interactions include Heisenberg, twisted Ising, and DM terms, with a conventional cubic oscillating decay. This study highlights the nuanced interplay between hinge and bulk RKKY interactions in HOTIs, offering insights into designs of next-generation quantum devices based on HOTIs.
文摘This article proposes a novel fractional heterogeneous neural network by coupling a Rulkov neuron with a Hopfield neural network(FRHNN),utilizing memristors for emulating neural synapses.The study firstly demonstrates the coexistence of multiple firing patterns through phase diagrams,Lyapunov exponents(LEs),and bifurcation diagrams.Secondly,the parameter related firing behaviors are described through two-parameter bifurcation diagrams.Subsequently,local attraction basins reveal multi-stability phenomena related to initial values.Moreover,the proposed model is implemented on a microcomputer-based ARM platform,and the experimental results correspond to the numerical simulations.Finally,the article explores the application of digital watermarking for medical images,illustrating its features of excellent imperceptibility,extensive key space,and robustness against attacks including noise and cropping.
基金Project supported by the National Natural Science Foundation of China(Grant No.71603146).
文摘Pedestrian self-organizing movement plays a significant role in evacuation studies and architectural design.Lane formation,a typical self-organizing phenomenon,helps pedestrian system to become more orderly,the majority of following behavior model and overtaking behavior model are imprecise and unrealistic compared with pedestrian movement in the real world.In this study,a pedestrian dynamic model considering detailed modelling of the following behavior and overtaking behavior is constructed,and a method of measuring the lane formation and pedestrian system order based on information entropy is proposed.Simulation and analysis demonstrate that the following and avoidance behaviors are important factors of lane formation.A high tendency of following results in good lane formation.Both non-selective following behavior and aggressive overtaking behavior cause the system order to decrease.The most orderly following strategy for a pedestrian is to overtake the former pedestrian whose speed is lower than approximately 70%of his own.The influence of the obstacle layout on pedestrian lane and egress efficiency is also studied with this model.The presence of a small obstacle does not obstruct the walking of pedestrians;in contrast,it may help to improve the egress efficiency by guiding the pedestrian flow and mitigating the reduction of pedestrian system orderliness.
基金supported by National Natural Science Foundation of China,China(No.51901117,51801116)Youth Innovation and Technology Support Program of Shandong Provincial Colleges and Universities,China(No.2020KJA002)+2 种基金Youth Fund of Shandong Academy of Sciences,China(2020QN0021)Innovation Pilot Project for Fusion of Science,Education and Industry(International Cooperation)from Qilu University of Technology(Shandong Academy of Sciences),China(No.2020KJC-GH03)Several Policies on Promoting Collaborative Innovation and Industrialization of Achievements in Universities and Research Institutes,China(No.2019GXRC030)。
文摘In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.
基金supported by the NNSF of China(12261065)the NSF of Inner Mongolia(2022MS01005)+1 种基金the Basic Science Research Fund of the Universities Directly under the Inner Mongolia Autonomous Re-gion(JY20220084)the Program for Innovative Research Team in Universities of Inner Mongolia Autonomous Region(NMGIRT2317).
文摘In this paper,we investigate the reverse order law for Drazin inverse of three bound-ed linear operators under some commutation relations.Moreover,the Drazin invertibility of sum is also obtained for two bounded linear operators and its expression is presented.
基金This work was supported by the National Natural Science Foundation of China (Grant No.50071028) the Natural Science Foundation of Shandong Province (No. Z2000F02) .
文摘Structures of molten metals Cu and Al, alloys Cu?Al, Al?Ni, Al?Fe and, Al?Si were investigated by using high temperature X-ray diffractometer. It has been found that there are not only shortrange order structures (SRO) but also medium range order structures (MRO) in Cu?Al, Al?Ni, Al?Fe alloy melts. There are only short-range order structures in the pure metals Cu and Al and Al?Si alloy melts at different temperatures. It has also been found that the presence and the disappearance of the MRO structures in molten metals are a function of temperature. Moreover, the pre-peak in the structure factor is an indication of MRO in molten metals. There is a pre-peak in each structure factor S(Q) of Al?Fe alloy melt containing 14 wt% Fe, 16 wt% Fe and 19 wt% Fe at 1550°C, showing that there are the medium range order structures in these alloy melts. For Al-35 wt% Ni alloy, the pre-peak exists in S(Q) when the temperature is lower than 1300°C, and it is weakened drastically when the temperature surpasses 1300°C. The pre-peak occurs at values of scattering vector Q=18.5 nm?1 in the structural factor of Cu-12 wt %Al alloy melts at 1250°C. The height of the pre-peak in the melt decreases with increasing temperature. These results show that there exist not only the SRO structure but also MRO structure in the Al-TM melts, and the MRO is correspondent to the tendency of formation of chemical compound. The formation mechanism of the MRO is also studied in this work. Based on the measured results of Cu?Al alloy, a model of the MRO is presented.
