The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure

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.

Effect of long-period stacking ordered structure on very high cycle fatigue properties of Mg-Gd-Y-Zn-Zr alloys

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.

Ultrafine ordered L1_(2)-Pt-Co-Mn ternary intermetallic nanoparticles as high-performance oxygen-reduction electrocatalysts for practical fuel cells

The long-range periodically ordered atomic structures in intermetallic nanoparticles(INPs)can significantly enhance both the electrocatalytic activity and electrochemical stability toward the oxygen reduction reaction(ORR)compared to the disordered atomic structures in ordinary solid-solution alloy NPs.Accordingly,through a facile and scalable synthetic method,a series of carbon-supported ultrafine Pt_3Co_(x)Mn_(1-x)ternary INPs are prepared in this work,which possess the"skin-like"ultrathin Pt shells,the ordered L1_(2) atomic structure,and the high-even dispersion on supports(L1_(2)-Pt_3Co_(x)Mn_(1-x)/~SPt INPs/C).Electrochemical results present that the composition-optimized L1_(2)-Pt_3Co_(0.7)Mn_(0.3)/~SPt INPs/C exhibits the highest electrocata lytic activity among the series,which are also much better than those of the pristine ultrafine Pt/C.Besides,it also has a greatly enhanced electrochemical stability.In addition,the effects of annealing temperature and time are further investigated.More importantly,such superior ORR electrocatalytic performance of L1_(2)-Pt_3Co_(0.7)Mn_(0.3)/~SPt INPs/C are also well demonstrated in practical fuel cells.Physicochemical characterization analyses further reveal the major origins of the greatly enhanced ORR electrocata lytic performance:the Pt-Co-Mn alloy-induced geometric and ligand effects as well as the extremely high L1_(2) atomic-ordering degree.This work not only successfully develops a highly active and stable ordered ternary intermetallic ORR electrocatalyst,but also elucidates the corresponding"structure-function"relationship,which can be further applied in designing other intermetallic(electro)catalysts.

Optimal Insurance with Background Risk under the Ambiguity and Belief Heterogeneity Structure

In this paper, we discuss the optimal insurance in the presence of background risk while the insured is ambiguity averse and there exists belief heterogeneity between the insured and the insurer. We give the optimal insurance contract when maxing the insured’s expected utility of his/her remaining wealth under the smooth ambiguity model and the heterogeneous belief form satisfying the MHR condition. We calculate the insurance premium by using generalized Wang’s premium and also introduce a series of stochastic orders proposed by [1] to describe the relationships among the insurable risk, background risk and ambiguity parameter. We obtain the deductible insurance is the optimal insurance while they meet specific dependence structures.

Velocity-Free MS/AE Source Location Method for Three-Dimensional Hole-Containing Structures

Microseismic/acoustic emission(MS/AE)source localization method is crucial for predicting and controlling of potentially dangerous sources of complex structures.However,the locating errors induced by both the irregular structure and pre-measured velocity are poorly understood in existing methods.To meet the high-accuracy locating requirements in complex three-dimensional hole-containing structures,a velocity-free MS/AE source location method is developed in this paper.It avoids manual repetitive training by using equidistant grid points to search the path,which introduces A*search algorithm and uses grid points to accommodate complex structures with irregular holes.It also takes advantage of the velocity-free source location method.To verify the validity of the proposed method,lead-breaking tests were performed on a cubic concrete test specimen with a size of 10 cm10 cm10 cm.It was cut out into a cylindrical empty space with a size of/6cm10 cm.Based on the arrivals,the classical Geiger method and the proposed method are used to locate lead-breaking sources.Results show that the locating error of the proposed method is 1.20 cm,which is less than 2.02 cm of the Geiger method.Hence,the proposed method can effectively locate sources in the complex three-dimensional structure with holes and achieve higher precision requirements.

Observed spatiotemporal variation of three-dimensional structure and heat/salt transport of anticyclonic mesoscale eddy in Northwest Pacific

As in-situ observations are sparse,targeted observations of a specific mesoscale eddy are rare.Therefore,it is difficult to study the three-dimensional structure of moving mesoscale eddies.From April to September 2014,an anticyclonic eddy located at 135°E-155°E,26°N-42°N was observed using 17 rapidsampling Argo floats,and the spatiotemporal variations in the three-dimensional structure were studied.The results are as follows:(1)the eddy was identified and tracked using satellite altimeter data.It had a lifetime of 269 days and an average radius of 91.5 km.The lifetime of the eddy can be divided into three phases,i.e.,the initiation,maturity,and termination phases.The depth of its influence reached 1000 m;(2)the Argo profiles were divided into seven periods(approximately 20 days in each)for composite analysis,and the composite Argo profiles and CARS2009(CSIRO Atlas of Regional Seas)climatology data were merged following the data-interpolating variational analysis(DIVA)method to reconstruct the three-dimensional structure.The temperature and salinity anomaly cores of the anticyclonic mesoscale eddy are located from 400 to 600 m.From 800 to 900 m,there is an area of low salinity at the center of the eddy.A high concentration anomaly of dissolved oxygen was located at approximately 250 m;(3)to better understand the features of the eddy and its interaction with the surroundings,we calculated the anomalous velocity of the geostrophic flow and the heat,salt,dissolved oxygen transport anomaly,and discussed the eddy's origin and its adjustments to topography.The maximum heat,salt,and oxygen transport caused by eddy were 9.37×10^11 W,3.08×10^3 kg/s,and 2.70×10^2 kg/s,which all occurred during the termination phase.This study highlights the applicability of using Argo floats to understand the three-dimensional structure thermohaline features of eddies in the North Pacific.

Three-dimensional simulation of a Ka-band relativistic Cherenkov source with metal photonic-band-gap structures

This paper presents a three-dimensional particle-in-cell （PIC） simulation of a Ka-band relativistic Cherenkov source with a slow wave structure （SWS） consisting of metal photonic band gap （PBG） structures. In the simulation, a perfect match layer boundary is employed to absorb passing band modes supported by the PBG lattice with an artificial metal boundary. The simulated axial field distributions in the cross section and surface of the SWS demonstrate that the device operates in the vicinity of the π point of a TM01-1ike mode. The Fourier transformation spectra of the axial fields as functions of time and space show that only a single frequency appears at 36.27 GHz, which is in good agreement with that of the intersection of the dispersion curve with the slow space charge wave generated on the beam. The simulation results demonstrate that the SWS has good mode selectivity.

The three-dimensional structure and seasonal variation of the North Pacific meridional overturning circulation

The three-dimensional structure and the seasonal variation of the North Pacific meridional overturning circulation （NPMOC） are analyzed based on the Simple Ocean Data Assimilation data and Argo profiling float data. The NPMOC displays a multi-cell structure with four cells in the North Pacific altogether. The TC and the STC are a strong clockwise meridional cell in the low latitude ocean and a weaker clockwise meridional cell between 7°N and 18°N, respectively, while the DTC and the subpolar cell are a weaker anticlockwise meridional cell between 3°N and 15°N and a weakest anticlockwise meridional cell between 35°N and 50°N, respectively. The DTC, the TC and the STC are all of very strong seasonal variations. As to the DTC, the southward transport is strongest in fall and weakest in spring. For the TC, the northward transport is strongest in winter and weakest in spring, while the southward transport is strongest in fall and weakest in spring, which is associated with the strong southward fiow of the DTC in fall. As the STC, the northward transport is strongest in winter and weakest in summer, while the southward transport is strongest in summer and weakest in spring. This seasonal difference may be associated with the DTC. The zonal wind stress and the east-west slope of sea level play important roles in the seasonal variations of the TC, the STC and the DTC.

Three-dimensionally Ordered Macroporous Phosphotungstic Acid/SiO2 for Efficient Catalytic Oxidative Desulfurization

Three-dimensionally ordered（3DOM） macroporous phosphotungstic acid/SiO_2（HPW/SiO_2） materials were prepared by using colloidal crystal as templates and applied for oxidative desulfurization（ODS） of the model fuel oil. The obtained HPW/SiO_2 materials were characterized through scanning electron microscopy, powder X-ray diffraction, N_2 sorption, and Fourier transform infrared spectroscopy. The results indicated that 3 DOM HPW/SiO_2 possessed hierarchical pore architectures which contained ordered macropores and disordered mesopores, with the Keggin type HPW embedded in the framework of pore structure. The removal rate of dibenzothiophene（DBT） could reach 100% under the optimum conditions, moreover. The performance was only slightly decreased for the regenerated catalyst after 7 cycles.

Three-dimensional crustal P-wave velocity structure in the Yangbi and Eryuan earthquake regions, Yunnan, China

A magnitude 5.5 earthquakes occurred in Eryuan County,Dali Bai Autonomous Prefecture,Yunnan Province,China,on March 3.And a magnitude 5.0 earthquake occurred in the same place on April 17,2013,i.e.,45 days later.Then,on May 21,2021,multiple earthquakes,one with magnitude 6.4 and several at 5.0 or above,occurred in Yangbi County,Dali Bai Autonomous Prefecture,Yunnan Province,China.All of these occurred in the Weixi-QiaohouWeishan fault zone.In this study,1,874 seismic events in Yangbi and Eryuan counties were identified by automatic micro-seismic identification technology and the first arrivals were picked up manually.Following this,a total of 11,968 direct P-wave absolute arrivals and 73,987 high-quality Pwave relative arrivals were collected for joint inversion via the double difference tomography method.This was done to obtain the regional three-dimensional fine crustal P-wave velocity structure.The results show that the travel time residuals before and after inversion decreased from the initial–0.1–0.1 s to–0.06–0.06 s.The upper crust in the study area,which exhibited a low-velocity anomaly,corresponded to the basin region;this indicated that the low-velocity anomaly in the shallow part of the study area was affected by the basin.Results also showed some correlation between the distribution of the earthquakes and velocity structure,as there was a lowvelocity body Lv1 with a wide distribution at depths ranging from 15–20 km in the Yangbi and Eryuan earthquake regions.In addition,earthquakes occurred predominantly in the highlow velocity abnormal transition zone.The low-velocity body in the middle and lower crust may be prone to concentrating upper crustal stress,thus leading to the occurrence of earthquakes.

Three-dimensional visualization of soil pore structure using computed tomography

The geometric and spatial characteristics of pore structures determine the permeability and water retention of soils, which have important effects on soil functional diversity and ecological restoration. Until recently, there have not been tools and methods to visually and quantitatively describe the characteristics of soil pores. To solve this problem, this research reconstructs the geometry and spatial distribution of soil pores by the marching cubes method, texture mapping method and the ray casting method widely used in literature. The objectives were to explore an optimal method for three-dimensional visualization of soil pore structure by comparing the robustness of the three methods on soil CT images with single pore structure and porosity ranging from low (2–5%) to high (12–18%), and to evaluate the reconstruction performance of the three methods with different geometric features. The results demonstrate that there are aliases (jagged edges) and deficiency at the boundaries of the model reconstructed by the marching cubes method and pore volumes are smaller than the ground truth, whereas the results of the texture mapping method lack the details of pore structures. For all the soil images, the ray casting method is preferable since it better preserves the pore characteristics of the ground truth. Furthermore, the ray casting method produced the best soil pore model with higher rendering speed and lower memory consumption. Therefore, the ray casting method provides a more advanced method for visualization of pore structures and provides an optional technique for the study of the transport of moisture and the exchange of air in soil.

The Shengli I Point Bar on the Yellow River Delta: Three-Dimensional Structures and Their Evolution

Point bars are well developed on the Yellow River delta, an~ which theShengli I point bar is the most typical. The point bar, being about 4 km in length and several tensto more than 100 meters in width, is located on the south side of the Shengli Bridge in KenliCounty, Dongying, Shandong. It is a typical fine-grained point bar with silt, which is predominant,some clay and minor plant debris and clay boulders. The Shengli I Point bar has complicated 3-Dstructures. Firstly, in a plane view, it comprises mainly eight sedimentary units, bar edge, baredge, bar platform, bar plain, bar channel, bar gully, bar pond and bar bay, developing side by sideand superimposed one by one m a complex way. Secondly, its vertical structures are very complex dueto the partial superimposition of the 8 sedimentary units. Besides hydatogenesis, very intensivewind erosion, eolian, ice and meltwater actions are also visible on the Shengli I point bar. Thecomplex form is made even more complicated because of the above co-actions.

Three-dimensionally ordered macroporous cross-linked polystyrene incorporating functional group via hydrophilic spacer arm

A versatile and effective method for incorporating functional groups on the pore wall of three-dimensionally ordered macroporous cross-linked polystyrene（3DOM CLPS） by hydrophilic spacer arm has been investigated.The 3DOM CLPS with pore size 865 nm was prepared by sacrifice template method.The hydrophilic spacer arm（polyethylene glycol,molecular weight is 600） was grafted to the 3DOM CLPS via nucleophilic substitution reaction.The other side of active hydroxyl can be further converted into a lot of other functional groups.In this report,the chelating ligand 2-mercaptobenzothiazole（MBZ） group was introduced on the end of the PGE chain to evidence the versatile functionalization approach.The functionalized ordered macroporous materials were characterized by FT-IR,element analyzer,SEM.The results reveal that the pores were successfully bonded with 2-mercaptobenzothiazole groups via hydrophilic spacer arms and the original morphology of ordered macroporous materials were remained after functionalization.The MBZ group density is 0.052 mmol/m^2.The functionalized 3DOM CLPS are expected to application as heavy metal ions adsorbent.

Three-dimensional structure of an observed cyclonic mesoscale eddy in the Northwest Pacific and its assimilation experiment

Mesoscale eddies play an important role in modulating the ocean circulation.Many previous studies on the threedimensional structure of mesoscale eddies were mainly based on composite analysis,and there are few targeted observations for individual eddies.A cyclonic eddy surveyed during an oceanographic cruise in the Northwest Pacific Ocean is investigated in this study.The three-dimensional structure of this cyclonic eddy is revealed by observations and simulated by the four-dimensional variational data assimilation(4 DVAR)system combined with the Regional Ocean Modeling System.The observation and assimilation results together present the characteristics of the cyclonic eddy.The cold eddy has an obvious dual-core structure of temperature anomaly.One core is at 50–150 m and another is at 300–550 m,which both have the average temperature anomaly of approximately-3.5℃.The salinity anomaly core is between 250 m and 500 m,which is approximately-0.3.The horizontal velocity structure is axis-asymmetric and it is enhanced on the eastern side of the cold eddy.In the assimilation experiment,sea level anomaly,sea surface temperature,and in situ measurements are assimilated into the system,and the results of assimilation are close to the observations.Based on the high-resolution assimilation output results,the study also diagnoses the vertical velocity in the mesoscale eddy,which reaches the maximum of approximately 10 m/d.The larger vertical velocity is found to be distributed in the range of 0.5 to 1 time of the normalized radius of the eddy.The validation of the simulation result shows that the 4 DVAR method is effective to reconstruct the three-dimensional structure of mesoscale eddy and the research is an application to study the mesoscale eddy in the Northwest Pacific by combining observation and assimilation methods.

Three-dimensional P velocity structure in Beijing area

A detail three-dimensional P wave velocity structure of Beijing, Tianjin and Tangshan area (BTT area) was deter-mined by inverting local earthquake data. In total 16 048 P wave first arrival times from 16048 shallow and mid-depth crustal earthquakes, which occurred in and around the BTT area from 1992 to 1999 were used. The first arrival times are recorded by Northern China United Telemetry Seismic Network and Yanqing-Huailai Digital Seismic Network. Hypocentral parameters of 1 132 earthquakes with magnitude ML=1.7~6.2 and the three-dimensional P wave velocity structure were obtained simultaneously. The inversion result reveals the com-plicated lateral heterogeneity of P wave velocity structure around BTT area. The tomographic images obtained are also found to explain other seismological observations well.

Three-dimensional discrete element numerical simulation of Paleogene salt structures in the western Kuqa foreland thrust belt

Taking the Paleogene salt strata in the west of Kuqa foreland thrust belt as study object, the deformation features of salt structure in the compression direction and perpendicular to the compression direction were examined to find out the control factors and formation mechanisms of the salt structures. By using the three-dimensional discrete element numerical simulation method, the formation mechanisms of typical salt structures of western Kuqa foreland thrust belt in Keshen and Dabei work areas were comprehensively analyzed. The simulation results show that the salt deformation in Keshen and Dabei work areas is of forward spread type, with deformation concentrated in the piedmont zone;the salt deformation is affected by the early uplift near the compression end, pre-existing basement faults, synsedimentary process and the initial salt depocenter;in the direction perpendicular to the compression direction, salt rocks near the compression end have strong lateral mobility with the velocity component moving towards the middle part, and the closer to the middle, the larger the velocity will be, so that salt rocks will aggregate towards the middle and deform intensely, forming complex folds and separation of salt structures from salt source, and local outcrop with thrust faults. Compared with 2 D simulation, 3 D simulation can analyze salt structures in the principal stress direction and direction perpendicular to the principal stress, give us a full view of the formation mechanisms of salt structures, and guide the exploration of oil and gas reservoirs related to salt structures.

Synthesis and Crystal Structure of a Three-dimensional Mn(Ⅱ) Coordination Polymer with 3-(Pyrazin-2-yloxy)-pyridine and Azide Anion as Mixed Bridge Ligand

A three-dimensional coordination polymer [Mn2（μ1.3-N3）4（μ-PP）2]n （PP = 3-（pyrazin-2-yloxy）-pyridine） has been synthesized with 3-（pyrazin-2-yloxy）-pyridine and azide anion as mixed bridge ligand, and its crystal structure was determined by X-ray crystallography. The crystal data： triclinic system, space group P1, with a = 6.794（4）, b = 9.885（6）, c = 9.947（6） A, α = 64.170（6）, β= 84.190（8）, γ= 85.319（8）°, V = 597.7（6）A^3, Z = 1, C18H14Mn2N18O2, Mr = 624.35, Dc = 1.735 g/cm^3, F（000） = 314 and μ = 1.117 mm^-1. In the crystal, the azide anion acts as a bridge ligand and makes adjacent Mn（Ⅱ） ions connect into a two-dimensional sheet on the ab plane, then 3-（pyrazin-2-yloxy）-pyridine serves as a bidentate bridge ligand to connect neighboring sheets along

Three-Dimensional Thermo-Elastic-Plastic Finite Element Method Modeling for Predicting Weld-Induced Residual Stresses and Distortions in Steel Stiffened-Plate Structures

The objective of the present paper is to develop nonlinear finite element method models for predicting the weld-induced initial deflection and residual stress of plating in steel stiffened-plate structures. For this purpose, three-dimensional thermo-elastic-plastic finite element method computations are performed with varying plate thickness and weld bead length (leg length) in welded plate panels, the latter being associated with weld heat input. The finite element models are verified by a comparison with experimental database which was obtained by the authors in separate studies with full scale measurements. It is concluded that the nonlinear finite element method models developed in the present paper are very accurate in terms of predicting the weld-induced initial imperfections of steel stiffened plate structures. Details of the numerical computations together with test database are documented.

Role of Ordering Energy in Formation of Grain Structure and Special Boundaries Spectrum in Ordered Alloys with L12 Superstructure

It was revealed that an average energy of special boundaries is proportional to APB energy in the alloys with the L12 superstructure. This fact proves the appearance of the GAPBs in the planes of location of special boundaries in coincidence sites of ordered alloys. It was determined that the more energy of special boundaries in ordered alloys, the more energy of complex stacking fault. There is a correlation between the distribution of special boundaries as a function its relative energy and ordering energy: the more ordering energy, the more degree of washed away of distribution. The correlation between average relative energy of special boundaries and ordering energy was detected: the more ordering energy, the more average energy of special boundaries. The reverse dependence between ordering energy and average number of special boundaries in grains limited by boundaries of general type was discovered.