储氢金属有机骨架材料分子模拟研究进展

分析了储氢金属有机骨架(MOFs)材料的储氢影响因素、储氢性能指标与评价方法,综述了相关模拟算法构筑与理论计算,阐述了分子模拟方法对储氢MOFs材料方面的研究思路与进展,确立今后的研究发展方向的机遇与挑战,为促进储氢MOFs材料研究和商业应用提供理论依据。

Variable-based Ramberg-Osgood constitutive model of power spinning bushing

The influences of power spinning process parameters on the mechanical properties of spinning parts were analyzed with an SXD100/3-CNC numerical control power spinning machine.The unidirectional tensile tests were carried out.Based on the experimental data,a ternary quadratic regression equation was established by orthogonal experiment.The Ramberg-Osgood constitutive model of tin-bronze connecting rod bushing was obtained.Referred to the constitutive relation of macroscopic incremental,the incremental elastoplastic constitutive relation of spinning parts was deduced based on the Mises yield criterion and kinematic hardening model.The results can be applied to the elastoplastic analysis in finite element numerical simulation.

A new method to construct reservoir capillary pressure curves using NMR log data and its application

By analyzing hundreds of capillary pressure curves, the controlling factors of shape and type of capillary pressure curves are found and a novel method is presented to construct capillary pressure curves by using reservoir permeability and a synthesized index. The accuracy of this new method is verified by mercury-injection experiments. Considering the limited quantity of capillary pressure data, a new method is developed to extract the Swanson parameter from the NMR T2 distribution and estimate reservoir permeability. Integrating with NMR total porosity, reservoir capillary pressure curves can be constructed to evaluate reservoir pore structure in the intervals with NMR log data. An in-situ example of evaluating reservoir pore structure using the capillary pressure curves by this new method is presented. The result shows that it accurately detects the change in reservoir pore structure as a function of depth.

A new electromagnetic functional material composed of metallic hollow micro-spheres

This paper presents a new electromagnetic functional material developed byelectron-less nickel deposition technique, with a single hollow micro-sphere as the core templateand a thin nickel layer as the shell. The micrograph taken by a scanning electron microscope showsthe microstructures of the materials in detail. Scattering parameters of the waveguide sample holderfilled with the materials have been obtained over X band. The electromagnetic parameters computedfrom the measured S parameters show that the material with metallic hollow spheres has as highrelative permeability μ'_r as 19.0 with about 0.6 magnetic loss tangent over the whole bandwidth.Compared to the material with non-metallic spheres, the permeability μ'_r and the magnetic losstangent μ'_r increase greatly, while the permittivity remains lower than 1.8.

Identification of Modal Parameters with Linear Structure under Non-stationary Ambient Excitation

Empirical mode decomposition (EMD) is proposed to identify linear structure under non-stationary excitation,and non-white noise coefficient is introduced under the assumption of random signals consisting of white noise and non-white noise signals. The cross-correlation function of response signal is decomposed into mode functions and residue by EMD method. The identification technique of the modal parameters of single freedom degree is applied to each mode function to obtain natural frequencies, damping ratios and mode shapes. The results of identification of the five-degree freedom linear system demonstrate that the proposed method is effective in identifying the parameters of linear structures under non-stationary ambient excitation.

Probabilistic model and analysis of coupled train-ballasted track-subgrade system with uncertain structural parameters

Random dynamic responses caused by the uncertainty of structural parameters of the coupled train-ballasted track-subgrade system under train loading can pose safety concerns to the train operation.This paper introduced a computational model for analyzing probabilistic dynamic responses of three-dimensional(3D)coupled train-ballasted track-subgrade system(TBTSS),where the coupling effects of uncertain rail irregularities,stiffness and damping properties of ballast and subgrade layers were simultaneously considered.The number theoretical method(NTM)was employed to design discrete points for the multi-dimensional stochastic parameters.The time-histories of stochastic dynamic vibrations of the TBSS with systematically uncertain structural parameters were calculated accurately and efficiently by employing the probability density evolution method(PDEM).The model-predicted results were consistent with those by the Monte Carlo simulation method.A sensitivity study was performed to assess the relative importance of those uncertain structural parameters,based on which a case study was presented to explore the stochastic probability evolution mechanism of such train-ballasted track-subgrade system.

Additivity of pore structural parameters of granular activated carbons derived from different coals and their blends

A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET specific surface area （SBEr）, total pore volume （Vr） and average pore diameter （da） were measured and cal- culated as well as process parameters such as yield of char （CY） and burn-off （B）. The relationship between the pore structural parameters of the GAC from coal blend （BC-GAC） and the ones of the GACs from corresponding single coals （SC-GACs） was analyzed, in which an index, the relative error （δ）, was presented to define the bias between fitted values and experimental values of these parameters of the BC-GACs. The results show that the BC-GAC keeps qualitatively the pore structural features of the SC-GACs; as concerned as the quantitative relationship, the pore structural parameters of the BC-GAC from coal blend consisting of non-caking coals can be obtained by adding proportionally the pore structural parameters of the SC-GACs with a less than 10%. Meanwhile, for the BC-GAC from coal blend containing weak caking bituminous coal, the δ increases up to 25% and the experimental pore size distribution differs greatly from the fitted one.

Study on Collision Between Two Ships Using Selected Parameters in Collision Simulation

In the present analysis, several parameters used in a numerical simulation are investigated in an integrated study to obtain their influence on the process and results of this simulation. The parameters studied are element formulation, friction coefficient, and material model. Numerical simulations using the non-linear finite element method are conducted to produce virtual experimental data for several collision scenarios. Pattern and size damages caused by collision in a real accident case are assumed as real experimental data, and these are used to validate the method. The element model study performed indicates that the Belytschko-Tsay element formulation should be recommended for use in virtual experiments. It is recommended that the real value of the friction coefficient for materials involved is applied in simulations. For the study of the material model, the application of materials with high yield strength is recommended for use in the side hull structure.

China＇s Transition Phase and Long-Term Development Path, Efficiency and Growth Rates

This paper examines the transition of growth stage China is about to experience and the main conclusions are as follows： （1） Phase Ⅰ of economic growth driven by investment and export is losing the momentum of efficiency enhancement through intervention and the growth stage of efficiency enhancement through structural adjustment is coming to an end. Urbanization and the development of service sector will inaugurate Phase Ⅱ of stable economic growth characterized by structural optimization through efficiency enhancement; （2） Three leading factors promoting the transition from Phase Ⅰ to Phase Ⅱ include： demographic changes and the emergence of workforce turning point, the reversion of factor elasticity parameters of long-term growth function, and service-oriented economic structure; （3） Developed provinces and municipalities in east China have already entered into the channel of economic deceleration. With increasing urbanization rate, accelerating service-oriented structure and declining demographic dividend after 2016, China＇s economic slowdown would be inevitable if labor productivity fails to improve.

Structural-acoustic coupling characteristics of honeycomb sandwich plate based on parameter sensitivity analysis

The structural-acoustic coupling model for isotropic thin elastic plate was extended to honeycomb sandwich plate(HSP) by applying Green function method.Then an equivalent circuit model of the weakly-strongly coupled system was proposed.Based on that,the estimation formulae of the coupled eigenfrequency were derived.The accuracy of the theoretical predictions was checked against experimental data,with good agreement achieved.Finally,the effects of HSP design parameters on the system coupling degree,the acoustic cavity eigenfrequency,and sound pressure response were analyzed.The results show that mechanical and acoustical characteristics of HSP can be improved by increasing the thickness of face sheet and reducing the mass density of material.

Effect of Structural Parameters on the Performance of NS High-efficiency Composite TraysⅠ.The Effect of Aperture and Opening Ratio on NS High-efficiency Composite Trays

In this paper,the structure and characteristics of the NS high-efficiency composite trays based on the doublelayer aperture jet sieve plate and compositely structured packing were investigated.The effect of aperture and opening ratio of plate on the fluid dynamics of the NS high-efficiency composite trays,such as the dry tray pressure drop,the wet tray pressure drop,the entrainment,the froth height,the leakage and mass transfer characteristics,were investigated.As a result, the low pressure drop,the high efficiency and the high capacity are the main advantages of the NS high-efficiency composite trays compared to other types of trays.According to this study,small aperture is useful for reducing the pressure drop and entrainment with a high mass transfer efficiency;while large aperture can achieve high capacity and efficiency in a broader operating range at the same pressure drop and entrainment.

Parameter fitting of constitutive model and FEM analysis of solder joint thermal cycle reliability for lead-free solder Sn-3.5Ag

The experimental tests of tensile for lead-flee solder Sn-3.5Ag were performed for the general work temperatures range from 11 to 90 ℃ and strain rate range from 5 × 10^-5 to 2 × 10^-2s^-1, and its stress--strain curves were compared to those of solder Sn-37Pb. The parameters in Anand model for solder Sn-3.5Ag were fitted based on experimental data and nonlinear fitting method, and its validity was checked by means of experimental data. Furthermore, the Anand model was used in the FEM analysis to evaluate solder joint thermal cycle reliability. The results show that solder Sn-3.5Ag has a better creep resistance than solder Sn-37Pb. The maximum stress is located at the upper right comer of the outmost solder joint from the symmetric center, and thermal fatigue life is predicted to be 3.796 × 10^4 cycles under the calculated conditions.

Non-Linear Dependence in Oil Price Behavior

In this paper, the authors analyze the adequacy of GARCH-type models to analyze oil price behavior by applying two types of non-parametric tests, the Hinich portmanteau test for non-linear dependence and a frequency-dominant test of time reversibility, the reverse test based on the bispectrum, to explore the high-order spectrum properties of the Mexican oil price series. The results suggest strong evidence of a non-linear structure and time irreversibility. Therefore, it does not comply with the i.i.d （independent and identically distributed） property. The non-linear dependence, however, is not consistent throughout the sample period, as indicated by a windowed test, suggesting episodic nonlinear dependence. The results imply that GARCH models cannot capture the series structure.

Self-Organized Criticality Analysis of Earthquake Model Based on Heterogeneous Networks

The original Olami-Feder-Christensen （OFC） model, which displays a robust power-law behavior, is a quasistatic two-dimensional version of the Burridge-Knopoff spring-block model of earthquakes. In this paper, we introduce a modified OFC model based on heterogeneous network, improving the redistribution rule of the original model. It can be seen as a generalization of the originM OFC model We numerically investigate the influence of the parameters θandβ, which respectively control the intensity of the evolutive mechanism of the topological growth and the inner selection dynamics in our networks, and find that there are two distinct phases in the parameter space （θ,β）. Meanwhile, we study the influence of the control parameter a either. Increasing a, the earthquake behavior of the model transfers from local to global.

A CFD Based Investigation of the Unsteady Hydrodynamic Coefficients of 3-D Fins in Viscous Flow

The motion of the fins and control surfaces of underwater vehicles in a fluid is an interesting and challenging research subject.Typically the effect of fin oscillations on the fluid flow around such a body is highly unsteady, generating vortices and requiring detailed analysis of fluid-structure interactions.An understanding of the complexities of such flows is of interest to engineers developing vehicles capable of high dynamic performance in their propulsion and maneuvering.In the present study, a CFD based RANS simulation of a 3-D fin body moving in a viscous fluid was developed.It investigated hydrodynamic performance by evaluating the hydrodynamic coefficients (lift, drag and moment) at two different oscillating frequencies.A parametric analysis of the factors that affect the hydrodynamic performance of the fin body was done, along with a comparison of results from experiments.The results of the simulation were found in close agreement with experimental results and this validated the simulation as an effective tool for evaluation of the unsteady hydrodynamic coefficients of 3-D fins.This work can be further be used for analysis of the stability and maneuverability of fin actuated underwater vehicles.

In-Plane and Out-of-Plane Mechanical Properties of Zero Poisson’s Ratio Cellular Structures for Morphing Application

Intelligent structures like zero Poisson’s ratio(ZPR)cellular structures have been widely applied to the engineering fields such as morphing wings in recent decades,owing to their outstanding characteristics including light weight and low effective modulus. In-plane and out-of-plane mechanical properties of ZPR cellular structures are investigated in this paper. A theoretical method for calculating in-plane tensile modulus,in-plane shear modulus and out-of-plane bending modulus of ZPR cellular structures is proposed,and the impacts of the unit cell geometrical configurations on in-plane tensile modulus,in-plane shear modulus and out-of-plane bending modulus are studied systematically based on finite element(FE)simulation. Experimental tests validate the feasibility and effectiveness of the theoretical and FE analysis. And the results show that the in-plane and out-of-plane mechanical properties of ZPR cellular structures can be manipulated by designing cell geometrical parameters.

Performance-based passive control analysis of adjacent structures:Optimization of Maxwell dampers

The performance-based passive control analysis of the Maxwell dampers between one 10-story and one 6-story adjacent RC frames is conducted in this work.Not only the optimal parameters but also the optimal arrangements of the Maxwell dampers are proposed based on the optimal target of making the total exceeding probability of the adjacent structures to be minimal.The applicability of the analytical expressions of the Maxwell damper damping parameters under different seismic performance targets are firstly examined and then the preferable damping parameters of the Maxwell dampers are proposed through the extensive parametric studies.Furthermore,the optimal arranging positions and optimal arranging numbers of the Maxwell dampers between the adjacent buildings are derived based on a large number of seismic fragility analyses,as well.The general arranging laws of the Maxwell dampers between the adjacent buildings are generated based on the discussion of the theoretical method through the simplified plane model.The optimal parameters and optimal arrangement of the Maxwell dampers presented make both the adjacent structures have preferable controlled effects under each seismic performance target which can satisfy the requirements of multi-performance seismic resistance of the modern seismic codes.

Molecular dynamics simulations on the relationship between the elastic parameters and the molecular structures of nano-hybrid POSS materials

To research the relationship between the elastic parameters and the molecular structures of nano hybrid polyhedral oligomeric silsesquioxanes （POSS） materials, the mechanical properties at different temperatures for three POSS polymers with different molecular architectures, polymerlized norbornene POSS homopolymer （PNPOSS, pedant architecture）, γ- （2, 3 glycidoxy） propyl diaminoethane POSS polymer （GPDP, catena architecture） and trimethoxysilylcyelopentyl POSS polymer （ TSCP, cage - cage network architecture） were obtained by molecular dynamics simulations based on the Compass force-field. Results indicate that the moleculax architectures of the POSS polymers have great influence on the reinforced effects. The effect of the cage-cage network architecture is best, while that of the catena architecture takes second place and the pedant architecture has the least influence comparatively. The reinforced effects of the POSS monomers were examined. The influences of the temperatures on these effects were analyzed also. It may provide some basis for the reasonable applications of the excellent mechanical properties of the organic-inorganic nano-hybrid materials. It may also provide references for exploitation and design of the POSS materials.

Study on the Influence of Structural Parameters of Multi-channel Cylinder Dryer on Heat Transfer Performance

An approach to design multi-channel cylinder dryer was proposed. The heat transfer performance and flow characteristic under various structural parameters were analyzed. First, an experiment was designed and set up to measure the condensing heat transfer coefficient and the pressure drop in order to ,~erify the applicability of the Cavallini＇s correlation. Then, the relationship among the count of channels, aspect ratio, spacing ratio, width, height and hydraulic diameter of a channel was given. Finally, the correlation of condensing heat transfer and the homogeneous model was introduced in order to observe the heat transfer performance and flow characteristic of the multi-channel cylinder dryer affected by different structures. The study reveals that the structural parameters including count of channels, aspect ratio, spacing ratio of a channel dramatically influence the condensation heat transfer coefficient and frictional resistance of the steam. Based on the selected paper machine, it is suggested that the overall performance of the multi-channel cylinder dryer is best if the count of channels is 150-200, the aspect ratio is 1 ： 3 and the spacing ratio is 1 ： 1-1 ： 3.

The Porous Ramie Fabric＇s Heat-Moisture Comfort

This paper in the light of the structure parameters of the ramie fabric to research and evaluation it＇s heart-moisture comfort. Selected 15 kinds of ramie fabric to test the average density, the thickness, the tightness, the heat rate, the heat transfer coefficient, the Clo, the air permeability, the water vapor permeability and other performance index, used SPSS factor analysis to explore the main influence factors of porous ramie fabric＇s heat moisture comfort. Results shows that： the main influence factors of ramie fabric＇s heat-moisture is the heat preservation material, the air permeability and the moisture permeability, get the equation of porous ramie fabric＇ s heat-moisture comfort： F=0.45855y1＋0.30588y2＋0.13549y3, evaluated and sorted the sample fabric＇ s heat-moisture comfort.