Advanced 3D ordered electrodes for PEMFC applications: From structural features and fabrication methods to the controllable design of catalyst layers

The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, ionomer, and Pt nanoparticles, all immersed together and sprayed with a micron-level thickness of CLs. They have a performance trade-off where increasing the Pt loading leads to higher performance of abundant triple-phase boundary areas but increases the electrode cost. Major challenges must be overcome before realizing its wide commercialization. Literature research revealed that it is impossible to achieve performance and durability targets with only high-performance catalysts, so the controllable design of CLs architecture in MEAs for PEMFCs must now be the top priority to meet industry goals. From this perspective, a 3D ordered electrode circumvents this issue with a support-free architecture and ultrathin thickness while reducing noble metal Pt loadings. Herein, we discuss the motivation in-depth and summarize the necessary CLs structural features for designing ultralow Pt loading electrodes. Critical issues that remain in progress for 3D ordered CLs must be studied and characterized. Furthermore, approaches for 3D ordered CLs architecture electrode development, involving material design, structure optimization, preparation technology, and characterization techniques, are summarized and are expected to be next-generation CLs for PEMFCs. Finally, the review concludes with perspectives on possible research directions of CL architecture to address the significant challenges in the future.

3-D seismic interpretation of stratigraphic and structural features in the Upper Jurassic to Lower Cretaceous sequence of the Gullfaks Field,Norwegian North Sea:A case study of reservoir development

The 3-D seismic dataset is a key tool to analyze and understand the mechanism of structural and stratigraphic hydrocarbon(HC)trapping in the subsurface.Conventionally used subsurface seismic characterization methods for fractures are based on the theory of effective anisotropy medium.The aim of this work is to improve the structural images with dense sampling of 3-D survey to evaluate structural and stratigraphic models for reservoir development to predict reservoir quality.The present study of the Gullfaks Field,located in the Norwegian North Sea Gullfaks sector,identifies the shallowest structural elements.The steepness of westward structural dip decreases eastward during the Upper Jurassic to Lower Cretaceous deposition.Reservoir sands consist of the Middle Jurassic deltaic deposits and Lower Jurassic fluvial channel and delta plain deposits.Sediment supply steadily prevails on sea-level rise and the succession displays a regressive trend indicated by a good continuous stacking pattern.The key factor for the development of reservoirs in the Gullfaks Field is fault transmissibility with spatially distributed pressure.The majority of mapped faults with sand-to-sand contacts are non-sealing,which provide restriction for the HC flow between the fault blocks.The traps for HC accumulation occur between the post-rift and syn-rift strata,i.e.antiform set by extensional system,unconformity trap at the top of syndeposition,and structural trap due to normal faults.Overall reservoir quality in the studied area is generally excellent with average 35%porosity and permeability in the Darcy range.Our findings are useful to better understand the development of siliciclastic reservoirs in similar geological settings worldwide.

Adaptive Window Based 3-D Feature Selection for Multispectral Image Classification Using Firefly Algorithm

Feature extraction is the most critical step in classification of multispectral image.The classification accuracy is mainly influenced by the feature sets that are selected to classify the image.In the past,handcrafted feature sets are used which are not adaptive for different image domains.To overcome this,an evolu-tionary learning method is developed to automatically learn the spatial-spectral features for classification.A modified Firefly Algorithm(FA)which achieves maximum classification accuracy with reduced size of feature set is proposed to gain the interest of feature selection for this purpose.For extracting the most effi-cient features from the data set,we have used 3-D discrete wavelet transform which decompose the multispectral image in all three dimensions.For selecting spatial and spectral features we have studied three different approaches namely overlapping window(OW-3DFS),non-overlapping window(NW-3DFS)adaptive window cube(AW-3DFS)and Pixel based technique.Fivefold Multiclass Support Vector Machine(MSVM)is used for classification purpose.Experiments con-ducted on Madurai LISS IV multispectral image exploited that the adaptive win-dow approach is used to increase the classification accuracy.

Imaging 3-D crustal P-wave velocity structure of western Yunnan with bulletin data

Western Yunnan is a region with intensive tectonic activity and serious earthquake risk. It is of significant importance to study three dimensional crustal structure of this region to understand the tectonic setting and disaster mechanism. Densification and digitalization of seismic networks in this region provides an opportunity to study the velocity structure with bulletin data. In this study, we collect P-wave data of 10 403 regional earthquakes recorded by 79 seismic stations from January 2008 to December 2010. In addition to first arrivals data （Pg with epieentral distance less than 200 km and Pn）, the Pg （or P） data with epicentral distance more than 200 km are also considered as later direct arrivals in the tomographic inversion. We also compare the quantity and the quality of the seismic data before 2010 and after 2010. The test results show that adding the follow-up Pg phase can effectively improve the inversion ability of crustal imaging, and quantity and the data quality are significantly improved since 2010. The tomographie results show that： （1） The Honghe fault zone, which is the major fault systems in this region, may cut through the entire crust, and the velocity contrasts between two sides at lower crust beneath the Honghe fault are estimated at higher than 10%, while the velocity difference below Nujiang fault zone extends only in the upper crust; （2） Most of the earthquakes in the region occurred at the interface of high-velocity media and low-velocity media, i.e., the areas with high velocity gradient, which has been validated in other areas.

3-D velocity structure in the central-eastern part of Qilianshan

The 3-D velocity tomography image of the central-eastern part of Qilianshan is obtained by the joint inversion of 3-D velocity structure and focal parameters based on the S-P data of micro-earthquakes recorded by the digital seismic network set up for a Sino-French cooperation program since 1996. The inversed velocity structure does primarily reflect some important features of the deep structure in the region and provide the scientific background for the further study of active tectonic structure and the calculation of earthquake parameters.

A study on 3-D velocity structure of crust and upper mantle in Sichuan -Yunnan region, China

Based on the first arrival P and S data of 4 625 regional earthquakes recorded at 174 stations dispersed in the Yunnan and Sichuan Provinces, the 3-D velocity structure of crust and upper mantle in the region is determined, incorporating with previous deep geophysical data. In the upper crust, a positive anomaly velocity zone exists in the Sichuan basin, whereas a negative anomaly velocity zone exists in the western Sichuan plateau. The boundary between the positive and negative anomaly zones is the Longmenshan fault zone. The images of lower crust and upper mantle in the Longmenshan fault, Xianshuihe fault, Honghe fault and others show the characteristic of tectonic boundary, indicating that the faults likely penetrate the Moho discontinuity. The negative velocity anomalies at the depth of 50 km in the Tengchong volcanic area and the Panxi tectonic zone appear to be associated with the temperature and composition variations in the upper mantle. The overall features of the crustal and the upper mantle structures in the SichuanYunnan region are the lower average velocity in both crust and uppermost mantle, the large crustal thickness variations, and the existence of high conductivity layer in the crust or/and upper mantle, and higher geothermal value. All these features are closely related to the collision between the India and the Asia plates. The crustal velocity in the SichuanYunnan rhombic block generally shows normal value or positive anomaly, while the negative anomaly exists in the area along the large strike-slip faults as the block boundary. It is conducive to the crustal block side-pressing out along the faults. In the major seismic zones, the seismicity is relative to the negative anomaly velocity. Most strong earthquakes occurred in the upper-mid crust with positive anomaly or normal velocity, where the negative anomaly zone generally exists below.

Synthesis, Structure, and Luminescent Property of a 3-D Strontium Complex [Sr_3(pda)_2(Hpda)_2(H2O)_2]_n·2nH_2O

The title complex [Sr3（pda）2（Hpda）2（H2O）2]n·2nH2O（H2pda = pyridine-2,6-dicar- boxylic acid） has been prepared under solvothermal conditions. It has been characterized by X-ray single-crystal diffraction, IR and elemental analysis. The crystal belongs to the monoclinic system, space group P21/c with a = 10.3795（8）, b = 9.2225（7）, c = 18.5726（14） , β = 104.377（2）o, V = 1722.2（2） 3, C28H22N4O20Sr3, Mr = 997.36, Z = 2, Dc = 1.923 g/cm3, μ = 4.722 mm-1, F（000） = 984, the final R = 0.0269 and wR = 0.0538. This complex possesses a 3-D structure which is constructed from 1-D chain motifs linked by carboxylate groups. The luminescent property of the title complex has been investigated.

Synthesis,Crystal Structure and Antitumor Activity of a New 3H-Phenanthro-[2,1-d]imidazole Derivative of Dehydroabietic Acid

The title compound （CI9H24BrN302, 3） was synthesized from dehydroabietic acid and its crystal structure was determined by single-crystal X-ray diffraction. The compound is of monoclinic system, slSace group C2 with a = 24.830（5）, b = 7.1410（14）, c = 13.981（3） A, p = 107.68（3）°, Z = 4, V= 2361.9（8） A3, Mr = 482.42, Dc = 1.357 Mg/m3, S = 1.003,μ = 1.772 mm1, F（000） = 1008, the final R = 0.0660 and wR = 0.1402 for 2244 observed reflections （I 〉 2o（/））. The crystal structure is stabilized by four hydrogen bonds （O（W）-H（WA）...O（3）, O（W）-H（WB）...O（1）, N（2）-H（2A）...O（W） and N（3）-H（3A）...N（1）） formed among the title compound, the crystal water and acetone molecules. The preliminary antitumor assay showed the title compound exhibited considerable inhibitory activity against HepG2 and SMMC-7721 cell lines with the ICs0 values of 17.1 and 10.2 μM, respectively.

Discrete Element with Flexible Connector for Dynamic Analysis of 3-D Beam Structures

Combined multi-body dynamics with structural dynamics, a new discrete element with flexible connector, which is applicable for 3-D beam structures, is developed in this paper. Both the generalized elastic coefficient matrix of the flexible connector and the mass matrix of discrete element may be off-diagonal in a general case. The zero-length rigid element is introduced to simulate the node at which multiple elements are jointed together. It may also be effective when the axes of adjacent elements are not in the same line. The examples for eigenvalue calculation show that the model is successful. It can be extended to the geometric nonlinear response analysis.

Synthesis and Crystal Structure of 2-Ethoxy-3-n-butyl-benzofuro [2,3-d]pyrimidin-4(3H)-one

The crystal structure of the new title compound 2-ethoxy-3-n-butyl- benzofuro[2,3d]pyrimidin-4（3H）-one （C16H18N2O3, Mr = 286.32） has been prepared and determined by singlecrystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 13.7167（14）, b = 13.113（1）, c = 8.378（1） A, β = 98.992（2）^o, V = 1488.4（3） A^3, Z = 4, Dc = 1.278, F（000） = 608, μ = 0.089 mm^-1, MoKa radiation （2 = 0.71073）, R = 0.0498, wR = 0.1238 for 2336 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that all ring atoms in the benzo[4, 5]furo [2,3-d] pyrimi- dinone moieties are almost coplanar.

Earthquake relocation and 3-dimensional crustal structure of P-wave velocity in central-western China

A simultaneous inversion of earthquake relocation and three-dimensional crustal structure of P-wave velocity in central-western China (21癗~36癗, 98癊~112癊) were performed in this paper. The crustal P-wave velocity model and earthquake relocation for this region are obtained using Pg and Sg phase readings of 9 988 earthquakes from 1992 to 1999 recorded at 193 seismic stations within central-western China by SPHYPIT90 and SPHREL3D90 programs. A lateral inhomogeneous structure of P-wave velocity in this region was obtained. Ob-vious contrast of P-wave velocities was revealed on both sides of active fault zones. Relocated epicenters of 6 459 events show clear lineation along active faults, which indicated a close correlation between seismicity and the active faults in this region. Focal depths of 82% relocated events ranged from 0 to 20 km, which is in good agreement with that from double-difference earthquake location algorithm.

Synthesis and Crystal Structure of 1-(4-Fluorophenyl)-2-hexylthiobenzo[4,5]-furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H)-one

The crystal structure of the title compound 1-（4-fluorophenyl） -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H） -one（C23H21FN4O2S,Mr = 436.5） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854（3） ,b = 17.2678（4） ,c = 18.1828（5）A,β = 99.364（2） °,V = 4332.58（18） A^3,Z = 4,Dc = 1.338,F（000） =1824,μ = 0.185 mm^-1,MoKa radiation（λ = 0.71073） ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I 〉 2σ（I） . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5（1H） -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.

Synthesis and Crystal Structure of 2-(4’-Methylphenoxy)-5,8,9-trimethyl-3-phenyl Thieno[3′,2′:5,6]pyrido[4,3-d]pyrimidin-4-(3H)-one Hydrochloride

The title compound 2-（4＇-methylphenoxy）-5,8,9-trimethyl-3-phenyl thieno[3＇,2＇：5,6] pyrido[4,3-d]pyrimidin-4（3H）-one hydrochloride （C26H23Cl4N3O2S, Mr = 583.33） has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 14.8442（ 11 ）, b = 11.5131 （8）, c = 17.2010（13） A, β = 113.7250（10）°, V = 2691.3（3） ,A^3, Z = 4, Dc = 1.440 g/cm^3, S = 1.094,μ = 0.547 mm^-1, F（000） = 1200, the final R = 0.0571 and wR = 0.1458. X-ray analysis reveals that the title compound combines with a molecule of dichloromethane by an intramolecular hydrogen bond. The thienopyridine ring is almost coplanar, and the dihedral angle between the thiophene plane and the pyridine plane is 0.6°.

Synthesis and Crystal Structure of Ethyl 3-(4-Chlorophenyl)-3,4-dihydro-6-methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate

The crystal structure of the title compound ethyl 3-（4-chlorophenyl）-3,4-dihydro-6- methyl-4-oxo-2-（pyrrolidin-1-yl）furo[2,3-d]pyrimidine-5-carboxylate （C20H20ClN3O4, Mr= 401.84） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 20.6215（9）, b = 8.5311（4）, c = 21.6886（9） A^°, β = 91.607（1）°, V = 3814.0（3）A^°^3, Z = 8, Dc = 1.400 g/cm^3, F（000） = 1680, μ = 0.233 mm^-1, R = 0.0718 and wR = 0.1545 for 6717 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals two crystallographically independent molecules in the asymmetric unit.

SiC/SiBCN-Si_(3)N_(4)复合材料力学性能研究

为了深入了解SiC/SiBCN-Si_(3)N_(4)材料微观形貌与高温力学行为,建立科学可靠的定量表征方法,本文使用多种表征手段对SiC/SiBCN-Si_(3)N_(4)材料进行定量观测,首先进行材料孔隙率及密度的测试,随后进行材料高温原位力学性能测试并对材料损伤机理进行了分析,最后基于试验数据构建了一种可解释的深度学习模型,实现了材料高温非线性本构关系预测。样件力学性能分析结果表明:平均应力预测误差为0.27%~0.59%、平均应变预测误差为1.96%~3.41%;同时通过量化分析明确了影响力学性能的因素依次为温度、偏轴角度、孔隙率及密度。本文实现了不同环境温度、偏轴角度与外载荷作用下SiC/SiBCN-Si_(3)N_(4)宏观力学性能的预测,可为陶瓷基复合材料高温本构模型的建立提供新思路。

Synthesis and Crystal Structure of 2-(3,3'-Bithiophen-2,2'-yl)dibenzothiazole (BTDB) and 2-(Dithieno[2,3-b:3',2' -d]thiophen-2,5-yl)dibenzothiazole (DTTDB)

The title compounds, 2-（3,3＇-bithiophen-2,2＇-yl）dibenzothiazole （BTDB） and 2-（dithieno[2,3-b：3＇,2＇-d]thiophen-2,5-yl）dibenzothiazole （DTTDB）, have been synthesized and characterized by FT-IR, NMR, MS, HRMS and X-ray single-crystal diffraction. The crystal of BTDB crystallizes in triclinic, space group P1 with a = 9.2207（17）, b = 10.453（2）, c = 10.969（2） A, V= 981.2（3） A3 and Z = 2. Crystal data of DTTDB： orthorhombic system, space group Pbcn with a = 4.5290（8）, b = 13.576（3）, c = 32.033（6） A, V= 1969.6（6） A3 and Z = 4.

Research on the 3-D Seismic Structures in Qinghai-Xizang Plateau

Based on the recording data from the analogue and broadband digital seismic stations in and around Qinghai-Xizang (Tibet) Plateau, the three dimensional (3-D) seismic velocity structures in Qinghai-Xizang Plateau were obtained by using the regional body wave tomography and surface wave tomography. The results from these two tomography methods have similar characteristics for P- and S-wave velocity structures in crust and upper mantle. They show that there are remarkable low velocity zones in the upper crust of Lhasa block in the southern Qinghai-Xizang Plateau and the lower crust and upper mantle of Qiangtang block in the northern Qinghai-Xizang Plateau. These phenomena may be related to the different steps of collision process in southern and northern Qinghai-Xizang Plateau.

3D simulation of image-defined complex internal features using the numerical manifold method

The numerical simulation of internal features,such as inclusions and voids,is important to analyze their impact on the performance of composite materials.However,the complex geometries of internal features and the induced continuous-discontinuous(C-D)deformation fields are challenges to their numerical simulation.In this study,a 3D approach using a simple mesh to simulate irregular internal geometries is developed for the first time.With the help of a developed voxel crack model,image models that are efficient when recording complex geometries are directly imported into the simulation.Surface reconstructions,which are usually labor-intensive,are excluded from this approach.Moreover,using image models as the geometric input,image processing techniques are applied to detect material interfaces and develop contact pairs.Then,the C-D deformations of the complex internal features are directly calculated based on the numerical manifold method.The accuracy and convergence of the developed3D approach are examined based on multiple benchmarks.Successful 3D C-D simulation of sandstones with naturally formed complex microfeatures demonstrates the capability of the developed approach.

Synthesis and Crystal Structure of an Interpentateing 3-D Framework Constructed from Mixed Ligands

A novel organic-inorganic hybrid compound constructed from mixed ligands, Co3（SIP）2（bipy）4（H2O）6·6.5H2O （H3SIP = 5-sulfoisophthalic acid, bipy = 4,4′-bipyridyl）, has been hydrothermally synthesized and characterized by IR, TGA and single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space group P212121 with a = 11.395（2）, b = 19.395（4）, c = 30.675（6） A^°, Mr = 1513.05, V= 6779（2） A^°^3, Dc= 1.482 g/cm^3, F（000） = 3120, μ = 0.873 mm^-1, Z= 4, the final R = 0.0439 and wR = 0.119 for 13421 observed reflections with I〉 2σ（I）. The structure of the compound presents a 3-D framework containing Co-bipy 1-D chain and 2-D bilayer motifs and carboxylate spacers, and the connection of 1-D chain and 2-D bilayer motifs by carboxylate ligand results in the final open framework with twofold interpenetration net. A probe reaction of the oxidation of benzaldehyde with H2O2 using the title compound as catalyst was carded out in a liquid-solid system, showing that the compound has high oxidative catalytic activity to the reaction.

3-D seismic tomography for velocity and interface structure of the crust and upper mantle(theoreticalpart)

A method of three dimensional (3-D) model parameterization is presented that makes forward and inverse problems become easy. The velocity and interface structure of crust and upper mantle are described by a set of highly smoothed functions. Shooting ray tracing method is chosen to calculate the ray paths for both forward and inverse problems. The partial derivatives of traveltime with respect to parameters of the model grids are calculated analytically while rays are being traced. Because velocity and interface functions have second-order continuous partial derivatives, the geometrical shadow zones at the surface caused by scattering and focusing of ray paths can be prevented. After ray tracing, an equation consisting of matrix and vectors for inverse problem is obtained. We use singular value decomposition method with damped factor to solve the equation. A synthetic data set which consists of several in-line profiles is used to test the methods. The results show that the methods are robust. Compared with the two dimensional method, the 3-D inversion method can give the right position of interfaces and the velocity structure when the crustal model is complicated.