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“Blocking and rebalance”mechanism-guided design strategies of bimetallic doped 2. a-phosphorus carbide as efficient catalysts for N_(2. electroreduction

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Journal of Energy Chemistry 2024年第10期97卷 68-78,I0003页

作者： Cheng He Jianglong Ma Shen xi Wenxue Zhang state key {2. for mechanical behavior of materials School of Materials Science and EngineeringXi'an Jiaotong UniversityXian 710049ShanxiChina school of materials {2. and engineering Chang'an UniversityXi'an 710064ShaanxiChina

Compared to single atom catalysts(SACs),the introduction of dual atom catalysts(DACs)has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction(NRR)which provides an environmental alternative to the Haber-Bosch ***,the research on the mechanism and strategy of designing bimetallic combinations for better performance is still in its early ***,based on"blocking and rebalance"mechanism,45 combinations of bimetallic pair dopedα-phosphorus carbide(TM_(A)TM_(B)@PC)are investigated as efficient NRR catalysts through density functional theory and machine learning *** a multi-step screening,the combinations of TiV,TiFe,MnMo,and FeW exhibit highly efficient catalytic performance with significantly lower limiting potentials(-0.17,-0.18,-0.14,and-0.30 V,respectively).Excitingly,the limiting potential for CrMo and CrW combinations is 0 V,which are considered to be extremely suitable for the NRR *** mechanism of"blocking and rebalance"is revealed by the exploration of charge transfer for phosphorus atoms in electron blocking ***,the descriptorφis proposed with machine learning,which provides design strategies and accurate prediction for finding efficient *** work not only offers promising catalysts TM_(A)TM_(B)@PC for NRR process but also provides design strategies by presenting the descriptorφ.

关键词： DACs Nitrogen reduction reaction 2. a-phosphorus carbide Inherent attributes Machine learning

Residual Stress Measurement in Electron Beam Welded Joints of 50mm Thick Titanium Alloy

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稀有金属材料与工程 2011年第S4期40卷 44-48页

作者： Wu Bing1,2.Zhang Jianxun1,Liu Chuan1,Gong Shuili2.1state key {2. for mechanical behavior of materials,xi’an jiaotong University,xi’an 710049,china2.10} and Technology on Power Beam Processes {2.,Beijing Aeronautical Manufacturing Technology Research Institute,Beijing 10002.,china Beijing Aeronaut Mfg Technol Res Inst Sci & Technol Power Beam Proc Lab Beijing 100024 Peoples R China xi An Jiao Tong Univ State Key Lab Mech Behav Mat Xian 710049 Peoples R China

For researching the residual stress distribution characteristics of the different large thickness titanium alloy joints by electron beam welding,under heat treatment or non-heat treatment conditions,the changes in residual stress distribution characteristics of electron beam welding joints,which thickness is 50 mm,were measured using blind-hole method with local layer-by-layer *** of post-welding heat treatment on the residual stress distribution also *** results show that blind-hole method with local layer-by-layer removal is suitable to measure residual stresses in thick plate,and good to reflect the welded residual stress distribution of large *** stress of the test samples in the weld and heat affected zone has high stress level,and internal stress dramatic changes with thickness in this *** heat treatment,the samples' stress distributions were significantly *** samples' transverse and longitudinal residual stress are basically the *** is obvious.

关键词： electron beam welding thick plate residual stress measurement blind-hole method local layer-by-layer removal re-sidual stress distribution

Influence of Molecular Weight of PEO on Performance of Quasi-solid-state Dye-sensitized Solar Cells

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Journal of Wuhan University of Technology(materials science) 2010年第2期25卷 218-222页

作者：沈小林 school of materials {2. & engineering Xi’an Jiaotong University

Quasi-solid-state dye-sensitized solar cells （DSCs） were prepared using gel electrolyte gelated by poly（ethylene-oxide）（PEO） with different molecular weight. With the increase in PEO molecular weight, the short circuit current densities （Jsc） increase significantly, which is related to the increase in I - diffusion due to the increase in free volume of gel electrolyte. However, only a slight increase in open voltage （Voc） is observed, which is explained by the decrease in dark current arising from the reduction of triiodide （I3^-） by conduction band electrons.

关键词： dye-sensitized solar cell poly(ethylene oxide) gel electrolyte molecular weight

CONSTRAINTS ON THE CRACK TIP PLASTIC FIELDS UNDER LARGE SCALE YIELD

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Acta Mechanica Solida Sinica 2001年第2期14卷 138-146页

作者： Xu Fei~1 Guo Wanlin~(1,2. (1 state key {2. of mechanical Structure Strength and Vibration, xi’an jiaotong University, xi’an 710049, china) (2.school of Aeronautics and Astronautics,Nanjing University of Aeronautics and Astronautics, Nanjing 2.0016, china) Stt. key Lab. of Mech. Struct. S. Xi'an Jiaotong University Xi'an 710049 China Sch. of Aeronautics and Astronautics Nanjing Univ. of Aero. and A. Nanjing 210016 China

Plane strain elastic-plastic finite element analyses are used tostudy the stress, strain fields around a straight crack in powerhardening plastic material. Center crack panel (CCP), single edgecrack panel (SECP) and double edge crack panel (DECP) tensionspecimens are analyzed with various crack lengths. Two localconstraint parameters, i.e. in-plane stress ratio T_x andout-of-plane constraint T_z are an- alyzed, which are defined astangential stress dividing normal (open) stress and out-of-planestress dividing the sum of tangential stress and normal stressrespectively.

关键词： constraint in-plane stress ratio out-of-plane constraint

Influence of in situ formed spinel in bonding phase on mechanical properties and air permeability of magnesia-chrome porous purging materials

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Journal of Iron and Steel Research International 2024年第6期31卷 1459-1472页

作者： Yi An Hao Liu Zhou-fu Wang Yan Ma xi-tang Wang The state key {2. of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina

Magnesia-chrome porous purging plugs are crucial functional components to remove inclusions and stabilize the flow field during iron and steel ***,practical applications of magnesia-chrome porous purging materials are stil hampered by the poor scouring resistance to molten steel and unstable air permeability owing to their low mechanical properties and uncontrollable pore ***,the particle-packing type magnesiachrome porous purging materials reinforced by in situ formed spinel were prepared using fused magnesia-chrome particles and Al powders as major raw *** results show that in situ formed spinel solid solutions in bonding phase led to the decreased median pore size and increased pore surface fractal dimension from the reactions between Al powders and magnesia-chrome particles and along with high-temperature sintering,bonding between magnesia-chrome particles and the resultant mechanical properties of materials were greatly ***,the results of air permeability tests and polynomial ftting indicated that the formation of spinel solid solutions was the main contributing factor for controllable air permeability,and pressure drop of porous purging materials was positively correlated with surface fractal dimension of ***,the as-prepared porous purging materials added with 6 wt.%Al powders obtained the maximum cold crushing strength(54.2.MPa)and hot modulus of rupture(12.9 MPa)with median pore size of 2..06μm and ftting non-Darcian permeability coefficient of 0.97×10^(-6)m.

关键词： Magnesia Chrome porous purging material Metallic Al-Spinel mechanical strength Air permeability

Advances in numerical methods for the solution of population balance equations for disperse phase systems

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science china Chemistry 2009年第8期52卷 1063-1079页

作者： SU JunWei1,GU ZhaoLin2.3 & XU X.Yun41 Department of mechanical engineering and Automation,{2. of mechanical engineering,xi’an jiaotong University,xi’an 710049,china 2.key laboratory of Mechanics on Disaster and Environment in Western china,Ministry of Education,Lanzhou 730000,china 3 Department of Environmental science and Technology,{2. of Human Settlements and Civil engineering,xi’an jiaotong University,xi’an 710049,china 4 Department of Chemical engineering,Imperial College London,London SW7 2.Z,UK Department of mechanical engineering and Automation School of Mechanical Engineering Xi’an Jiaotong University Xi’an China key laboratory of Mechanics on Disaster and Environment in Western {2. Ministry of Education Lanzhou China Department of Environmental science and Technology School of Human Settlements and Civil Engineering Xi’an Jiaotong University Xi’an China Department of Chemical engineering Imperial College London London UK

Accurate prediction of the evolution of particle size distribution is critical to determining the dynamic flow structure of a disperse phase system.A population balance equation(PBE),a non-linear hyperbolic equation of the number density function,is usually employed to describe the micro-behavior(aggregation,breakage,growth,etc.) of a disperse phase and its effect on particle size *** solution is the only choice in most *** this paper,three different numerical methods(direct discretization methods,Monte Carlo methods,and moment methods) for the solution of a PBE are evaluated with regard to their ease of implementation,computational load and numerical *** attention is paid to the relatively new and superior moment methods including quadrature method of moments(QMOM),direct quadrature method of moments(DQMOM),modified quadrature method of moments(M-QMOM),adaptive direct quadrature method of moments(ADQMOM),fixed pivot quadrature method of moments(FPQMOM),moving particle ensemble method(MPEM) and local fixed pivot quadrature method of moments(LFPQMOM).The prospects of these methods are discussed in the final section,based on their individual merits and current state of development of the field.

关键词： population balance equation direct discretization method Monte Carlo method moment methods disperse phase system

THERMOmechanical RESPONSE OF SMA FIBER COMPOSITES WITH NON-UNIFORM TEMPERATURE DISTRIBUTION

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Acta Mechanica Solida Sinica 2003年第4期16卷 334-344页

作者： Zhang Zhen Wang Jian Shen Yapeng (The state key {2. of mechanical Structural and Vibration,xi’an jiaotong University,xi’an 710049,china) Stt. key Lab. of Mech. Struct./Vibr. Xi'an Jiaotong University Xi'an 710049 China

A micromechanics method based on the High-Order-Theory developed by Aboudi et *** used to predict the thermomechanical response of composites reinforced by shape memory alloy (SMA) fibers,and the non-uniform thermal distribution in composite arising from the process of heating or cooling is *** numerical development based on this model was coded to predict the thermomechanical response of shape memory alloy fiber/elastomer matrix composite subjected to thermal cycle *** the composite is heated,two heating ways,thermal gradients and heat source by passing an electric current through the SMA fibers are imposed on the composite *** cooling,the first thermal boundary condition and the second thermal boundary condition are subjected to the composite respectively.A series of stress distributions and temperature distributions for different instants are calculated to reveal the interaction between the SMA {2. and *** is useful to analyze and design the SMA actuator driven by heat source or the surface temperature.

关键词： shape memory alloy composites fiber

NUMERICAL SIMULATION OF WET STEAM CONDENSING FLOW WITH AN EULERIAN/EULERIAN MODEL

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Chinese Journal of mechanical engineering 2003年第2期16卷 156-159页

作者： Li LiangFeng ZhenpingLi Guojunstate key {2. of Multiphase Flowin Power engineering,xi’ an jiaotong University,xi’ an 710049, china xi' an jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an 710049

Wet steam condensing flow in low-pressure steam turbine leads to efficiencylosses and blade erosions. In order to investigate this problem by numerical approach, anEulerian/Eulerian model has been developed, in which the wet steam is regarded as mixture comprisingtwo coupled systems: the vapor phase and the liquid phase. These two systems are both described byconservation equations. High resolution TVD scheme is employed to capture condensing phenomena inwet steam flow. This model has been validated by numerical simulations of condensing flows in 1D and2. nozzles. Compared with experimental data, a good agreement is observed. This Eulerian/Eulerianmodel can be extended to 3D calculation of condensing flow.

关键词： wet steam condensing flow numerical simulation eulerian/eulerian model

Numerical simulations of the discontinuous progression of cerebral aneurysms based on fluid-structure interactions study

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science china(Physics,Mechanics & Astronomy) 2010年第5期53卷 944-953页

作者： MA xiaoQi1,WANG YueShe1,YU FangJun1 & WANG Guoxiang1,2.1 {2. key laboratory of Multiphase Flow in Power engineering,xi’an jiaotong University,xi’an 710049,china 2.Department of mechanical engineering,The University of Akron,Akron,OH 4432.-3903,USA state key {2. of Multiphase Flow in Power engineering Xi’an Jiaotong University Xi’an China Department of mechanical engineering The University of Akron Akron USA

Investigations into the characteristics of hemodynamics will provide a better understanding of the pathology of cerebral aneurysms for *** this work,a steady state discontinuous-growth model of the cerebral aneurysms was *** the assumption of the fluid-structure interaction between the wall of blood vessel and blood,a fluid-structure coupling numerical simulation for this model was built using software ANSYS and *** simulation results showed that as the aneurysm volume increased,a blood flow vortex came forth,the vortex region became asymptotically larger,and eddy density became gradually stronger in *** the emergence of the vortex region,the blood flow in the vicinity of the downstream in the aneurysms volume turned into bifurcated flow,and the location of the flow bifurcated point was shifted with the aneurysm volume growing while directions of the shear stress applied to two sides of the bifurcated point were *** Von Mises stress distribution along the wall of aneurysm volume decreased in the prior period and increased gradually in the later *** maximum stress was in the neck of the volume and the minimum was on the distal end in the whole process of *** was shown that as the aneurysm increased the maximum deformation location of the aneurysm,vertical to the streamline,was transferred from the distal end of the aneurysm to its neck,then back to its distal end of the aneurysm again.

关键词： cerebral aneurysm fluid-structure interaction wall shear stress discontinuous progression