Solubility study of hydrogen in direct coal liquefaction solvent based on quantitative structure–property relationships model

Direct coal liquefaction(DCL)is an important and effective method of converting coal into high-valueadded chemicals and fuel oil.In DCL,heating the direct coal liquefaction solvent(DCLS)from low to high temperature and pre-hydrogenation of the DCLS are critical steps.Therefore,studying the dissolution of hydrogen in DCLS under liquefaction conditions gains importance.However,it is difficult to precisely determine hydrogen solubility only by experiments,especially under the actual DCL conditions.To address this issue,we developed a prediction model of hydrogen solubility in a single solvent based on the machine-learning quantitative structure–property relationship(ML-QSPR)methods.The results showed that the squared correlation coefficient R^(2)=0.92 and root mean square error RMSE=0.095,indicating the model’s good statistical performance.The external validation of the model also reveals excellent accuracy and predictive ability.Molecular polarization(a)is the main factor affecting the dissolution of hydrogen in DCLS.The hydrogen solubility in acyclic alkanes increases with increasing carbon number.Whereas in polycyclic aromatics,it decreases with increasing ring number,and in hydrogenated aromatics,it increases with hydrogenation degree.This work provides a new reference for the selection and proportioning of DCLS,i.e.,a solvent with higher hydrogen solubility can be added to provide active hydrogen for the reaction and thus reduce the hydrogen pressure.Besides,it brings important insight into the theoretical significance and practical value of the DCL.

Consensus model of social network group decision-making based on trust relationship among experts and expert reliability

Due to people’s increasing dependence on social networks,it is essential to develop a consensus model considering not only their own factors but also the interaction between people.Both external trust relationship among experts and the internal reliability of experts are important factors in decision-making.This paper focuses on improving the scientificity and effectiveness of decision-making and presents a consensus model combining trust relationship among experts and expert reliability in social network group decision-making(SN-GDM).A concept named matching degree is proposed to measure expert reliability.Meanwhile,linguistic information is applied to manage the imprecise and vague information.Matching degree is expressed by a 2-tuple linguistic model,and experts’preferences are measured by a probabilistic linguistic term set(PLTS).Subsequently,a hybrid weight is explored to weigh experts’importance in a group.Then a consensus measure is introduced and a feedback mechanism is developed to produce some personalized recommendations with higher group consensus.Finally,a comparative example is provided to prove the scientificity and effectiveness of the proposed consensus model.

Regional Finite-Fault Source Model for Development of Ground Motion Attenuation Relationship in Sichuan, China

The attenuation relationship of ground motion based on seismology has always been a front subject of engineering earthquake.Among them,the regional finite-fault source model is very important.In view of this point,the general characteristics of regional seism-tectonics,including the dip and depth of the fault plane,are emphasized.According to the statistics of regional seism-tectonics and focal mechanisms in Sichuan,China,and the sensitivity of estimated peak ground acceleration(PGA)attenuation is analyzed,and the dip angle is taken as an average of 70°.Based the statistics of the upper crustal structure and the focal depth of regional earthquakes,the bottom boundary of the sedimentary cover can be used as the upper limit for estimating the depth of upper-edge.The analysis shows that this value is sensitive to PGA.Based on the analysis of geometric relations,the corresponding calculation formula is used,and a set of concepts and steps for building the regional finite-fault source model is proposed.The estimation of source parameters takes into account the uncertainty,the geometric relationship among parameters and the total energy conservation.Meanwhile,a set of reasonable models is developed,which lay a foundation for the further study of regional ground motion attenuation based on seismology.

Influence of Confined Concrete Models on the Seismic Response of RC Frames

In this study, the influence of confined concrete models on the response of reinforced concrete structures is investigatedat member and global system levels. The commonly encountered concrete models such as Modified Kent-Park, Saatçioğlu-Razvi, and Mander are considered. Two moment-resisting frames designed according to thepre-modern code are taken into consideration to reflect the example of an RC moment-resisting frame in thecurrent building stock. The building is in an earthquake-prone zone located on Z3 Soil Type. The inelasticresponse of the building frame is modelled by considering the plastic hinges formed on each beam and columnelement for different concrete classes and stirrups spacings. The models are subjected to non-linear static analyses.The differences between confined concrete models are comparatively investigated at both reinforced concretemember and system levels. Based on the results of the comparative analysis, it is revealed that the column behaviouris mostly influenced by the choice of model, due to axial loads and confinement effects, while the beams areless affected, and also it is observed that the differences exhibited in the moment-curvature response of columncross-sections do not significantly affect the overall behaviour of the global system. This highlights the critical roleof model selection relative to the concrete strength and stirrup spacing of the member.

Precipitation-Surface Temperature Relationship in the IPCC CMIP5 Models

Precipitation and surface temperature are two important quantities whose variations are closely related through various physical processes. In the present study, we evaluated the precipitation-surface temperature （P-T） relationship in 17 climate models involved in the Coupled Model Intercomparison Project Phase 5 （CMIP5） for the IPCC Assessment Report version 5. Most models performed reasonably well at simulat- ing the large-scale features of the P-T correlation distribution. Based on the pattern correlation of the P-T correlation distribution, the models performed better in November-December-January-February-March （NDJFM） than in May-June-July-August-September （MJJAS） except for the mid-latitudes of the North- ern Hemisphere, and the performance was generally better over the land than over the ocean. Seasonal dependence was more obvious over the land than over the ocean and was more obvious over the mid- and high-latitudes than over the tropics. All of the models appear to have had difficulty capturing the P-T correlation distribution over the mid-latitudes of the Southern Hemisphere in MJJAS. The spatial variabil- ity of the P-T correlation in the models was overestimated compared to observations. This overestimation tended to be larger over the land than over the ocean and larger over the mid- and high-latitudes than over the tropics. Based on analyses of selected model ensemble simulations, the spread of the P-T correlation among the ensemble members appears to have been small. While the performance in the P-T correlation provides a general direction for future improvement of climate models, the specific reasons for the discrep- ancies between models and observations remain to be revealed with detailed and comprehensive evaluations in various aspects.

Mechanical Properties and Stress Strain Relationship Models for Bamboo Scrimber

In order to investigate the basic mechanical properties and stress strain relationship model for bamboo scrimber manufactured based on a new technique,a large quantities of experiments have been carried out.Based on the analysis of the test results,the following conclusions can be drawn.Two main typical failure modes were classified for bamboo scrimber specimens both under tension parallel to grain and tension perpendicular to grain.Brittle failure happened for all tensile tests.The slope values for the elastic stages have bigger discreteness compared with those for the specimens under tensile parallel to grain.The failure modes for bamboo scrimber specimens under compression parallel to grain could be divided into four.Only one main failure mode happened both for the bending specimens and the shear specimens.With the COV values of 28.64 and 25.72 respectively,the values for the strength and elastic modulus under tensile perpendicular to grain have the largest discreteness for bamboo scrimber.From the point of CHV values,the relationship among the mechanical parameters for bamboo scrimber were proposed based on the test results.Compared with other green building materials,bamboo scrimber manufactured based on a new technique has better mechanical performance and could be used in construction area.Three stress strain relationship models which are four-linear model,quadratic function model,and cubic function model were proposed for bamboo scrimber specimens manufactured based on a new technique.The latter two models gives better prediction for stress strain relationship in elastic plastic stage.

Numerical Method for Modeling the Constitutive Relationship of Sand under Different Stress Paths

A numerical method was used in order to establish the constitutive relationship of sands under different stress paths, Firstly, based on the numerical method modeling the constitutive law of sands, the elastoplastic constitutive relationship of sand was established for three paths： the constant proportion of principle stress path, the conventional triaxial compression （CTC） path, and the p=constant （TC） path. The yield lines of plastic volumetric strain and plastic generalized shear strain were given. Through visualization, the three dimensional surface of the stress-strain relationship in the whole stress field （p, q） obtained under the three paths was plotted. Also, by comparing the stress-strain surfaces and yield locus of the three stress paths, the differences were found to be obvious, which demonstrates that the influence of the stress paths on constitutive law was not neglected. The numerical modeling method overcame the difficulty of finding an analytical expression for plastic potential. The results simulated the experimental data with an accuracy of 90% on average, so the constitutive model established in this paper provides an effective constitutive equation for this kind of engineering, reflecting the effect of practical stress paths that occur in sands.

Modeling of the height–diameter relationship using an allometric equation model:a case study of stands of Phyllostachys edulis

Understanding the relationship between tree height （H） and diameter at breast height （D） is vital to forest design, monitoring and biomass estimation. We developed an allometric equation model and tested its applicability for unevenly aged stands of moso bamboo forest at a regional scale. Field data were collected for 21 plots. Based on these data, we identified two strong power relationships： a corre- lation between the mean bamboo height （Hm） and the upper mean H （Hu）, and a correlation between the mean D （Din） and the upper mean D （Du）. Simulation results derived from the aUometric equation model were in good agreement with observed culms derived from the field data for the 21 stands, with a root-mean-square error and relative root-mean-square error of 1.40 m and 13.41%, respectively. These results demonstrate that the allometric equation model had a strong predictive power in the unevenly aged stands at a regional scale. In addition, the estimated average height-diameter （H-D） model for South Anhui Province was used to predict H for the same type of bamboo in Hunan Province based on the measured D, and the results were highly similar. The allometric equation model has multiple uses at the regional scale, including the evaluation of the variation in the H- D relationship among regions. The model describes the average H-D relationship without considering the effects caused by variation in site conditions, tree density and other factors.

Structure-Property Relationships and Models of Controlled Drug Delivery of Biodegradable Poly (D, L-lactic acid) Microspheres

An oil-in-water (O/W) solvent evaporation method was used to prepare biodegradable microspheresbased on poly(D,L-lactic acid) (PLA). Nifedipine, a hydrophobic drug, was chosen as a model molecule in the studyof drug entrapment and release. Effect of preparation conditions on the size, morphology, drug loading, and releaseprofiles of micropheres was investigated. Based on in vitro release experimental findings, a diffusion/dissolutionmodel was presented for quantitative description of the resulting release behaviors and drug release kinetics fromPLA microspheres analyzed. The mathematical models were used to predict the effect of microstructure on theresulting drug release. It provided an approach to determine the suitable structure parameters for microspheres toachieve desired drug release behaviors.

Seismic ground motion relationships in southern China based on stochastic finite-fault model

The characteristics of seismic ground motions in southern China are difficult to determine statistically due to a lack of strong ground motion data.In this study,a stochastic finite-fault ground motion model was adopted to simulate the seismic ground motions at bedrock for southern China,based on parameters derived from small and medium earthquakes that have occurred in the region.From these,the response spectra was estimated.A set of ground motion attenuation relationships was then developed based on simulated peak ground motions and response spectral parameters through regression,which would be applicable for use in engineering practice.Through comparisons,it was demonstrated that the proposed ground motion relationships are generally consistent with those obtained from other reported ground motion attenuation models for southern China.

GIS-Based Urbanization Prediction Model Considering Neighborhood Relationship of the Unit of the “Block” in the Outskirts of Metropolitan Area

On the outskirts of the metropolitan areas in Japan, the rapid development of urban areas and the improvement in transportation networks have brought various land use problems in their wake, including urban diffusion and the phenomenon of urban sprawl. There is a strong need for accurate predictions of land-use change and future urbanization, as well as investigation of the appropriateness of present land use controls and the land use controls that will be required in the future. This study took as its object the outskirts of the Keihanshin (Kyoto-Osaka-Kobe) Metropolitan Area, the second largest conurbation in Japan after the Tokyo Metropolitan Area, and used the digital maps and spatial analysis offered by GIS. It aimed to: 1) describe the characteristics of land use controls, land use and urbanization;2) develop an urbanization prediction model that considers the neighboring relationship of neighboring areas on a 100 m mesh unit;3) apply this model to the study area and verify its validity regarding the conditions of present land use;4) compare urbanization prediction results by this model with the present land use controls;and 5) make predictions for future urbanization and propose remedial measures for future land use controls.

Expression model for multiple relationships in the ontology of traditional Chinese medicine knowledge

Objective:To explore multiple relationships in traditional Chinese medicine(TCM)knowledge by comparing binary and multiple relationships during knowledge organization.Methods:Characteristics of binary and multiple semantic relationships as well as their associations are described.A method to classify multiple relationships based on the involvement of time is proposed and theoretically validated using examples from the ancient TCM classic Important Formulas Worth a Thousand Gold Pieces.The classification includes parallel multiple relationships,restricted multiple relationships,multiple relationships that involve time,and multiple relationships that involve time restriction.Next,construction of multiple semantic relationships for TCM concepts in each classification using Protege,an ontology editing tool is described.Results:Protege is superior to a binary relationship and less than ideal with multiple relationships during the constitution of concept relationships.Conclusion:When applied in TCM,the semantic relationships constructed by Protege are superior than those constructed by correlation and/or attribute relationships,but less ideal than those constructed by the human cognitive process.

Disharmonious Ventricular Relationship and Topology for the Given Atrioventricular Connections.Contemporary Diagnostic Approach Using 3D Modeling and Printing

In the last issue,two case reports separately present examples of the extremely rare and complex congenital heart diseases that show concordant atrioventricular connections to the L-looped ventricles in the presence of situs solitus.Both cases highlight that the relationship between the two ventricles within the ventricular mass is not always harmonious with the given atrioventricular connection.Such disharmony between the connections and relationships requires careful assessment of the three basic facets of cardiac building blocks,namely their morphology,the relationship of their component parts,and their connections with the adjacent segments.3D imaging and printing can now facilitate an otherwise difficult diagnosis in such complex situations.Rotation of either the 3D images or the models permit accurate assessment of the ventricular topologic pattern by creating the right ventricular en-face septal view,thus facilitating placement of the observer’s hands.As we now emphasize,an alternative approach,which might prove more attractive to imagers,is to rotate the ventricular mass to provide the ventricular apical view,thus permitting determination of the ventricular relationship without using the hands.

Four new orientation relationships of Mg_(17)Al_(12) phase with magnesium matrix in Mg-8Al-0.5Zn alloys

Although the non-basal precipitates, those not parallel to the basal plane, are more effective to block basal slip in Mg-Al alloys, the crystallographic orientation relationship(OR) between these precipitates and the α-Mg matrix has not been well established. In this work, the crystallography of the non-basal Mg_(17)Al_(12) precipitates in AZ80 alloy was systematically investigated by transmission electron microscopy(TEM). By tilting to a suitable electron beam direction, different kinds of non-basal precipitates were recognized in TEM, and the following four new ORs between the non-basal Mg_(17)Al_(12) precipitates and the matrix were revealed: ■, and ■.Furthermore, these ORs and their habit planes were explained using the edge-to-edge matching model. The findings in this work can provide some guidelines for designing the microstructure of Mg-Al alloys to enhance their precipitation hardening potential.

Tensile Properties and Prediction Model of Recombinant Bamboo at Different Temperatures

The destruction of recombinant bamboo depends on many factors,and the complex ambient temperature is an important factor affecting its basic mechanical properties.To investigate the failure mechanism and stress–strain relationship of recombinant bamboo at different temperatures,eighteen tensile specimens of recombinant bamboo were tested.The results showed that with increasing ambient temperature,the typical failure modes of recombinant bamboo were flush fracture,toothed failure,and serrated failure.The ultimate tensile strength,ultimate strain and elastic modulus of recombinant bamboo decreased with increasing temperature,and the ultimate tensile stress decreased from 154.07 to 96.55 MPa,a decrease of 37.33%,and the ultimate strain decreased from 0.011 to 0.008,a decrease of 26.57%.Based on the Ramberg-Osgood model and the pseudo‒elastic design method,a predictive model was established for the tensile stress–strain relationship of recombinant bamboo considering the temperature level.The model can accurately evaluate the tensile stress–strain relationship of recombinant bamboo under different temperature conditions.

Stiffness and Shear Stress Distribution of Glulam Beams in Elastic-Plastic Stage:Theory,Experiments and Numerical Modelling

Traditional methods focus on the ultimate bending moment of glulam beams and the fracture failure of materials with defects,which usually depends on empirical parameters.There is no systematic theoretical method to predict the stiffness and shear distribution of glulam beams in elastic-plastic stage,and consequently,the failure of such glulam beams cannot be predicted effectively.To address these issues,an analytical method considering material nonlinearity was proposed for glulam beams,and the calculating equations of deflection and shear stress distribution for different failure modes were established.The proposed method was verified by experiments and numerical models under the corresponding conditions.Results showed that the theoretical calculations were in good agreement with experimental and numerical results,indicating that the equations proposed in this paper were reliable and accurate for such glulam beams with wood material in the elastic-plastic stage ignoring the influence of mechanic properties in radial and tangential directions of wood.Furthermore,the experimental results reported by the previous studies indicated that the method was applicable and could be used as a theoretical reference for predicting the failure of glulam beams.

Grey relationship analysis and grey forecasting modeling on thermal stability of synthetic single diamond

Through analyzing 7 Ib-type samples of synthetic single diamonds by their DTA and TG in air, we ascertained the extrapolated onset temperature on the curves of DTA as the characteristic temperature of their thermal stabilities. Based on the grey system theory, we analyzed 4 factors influential in the thermal stability by the grey relationship analysis, a quantitative method, and derived the grey relationship sequence, that is, the rank of the influence extent of 4 factors on the thermal stability. Furthermore, we established the grey forecasting model, namely GM(1,5), for predicting the thermal stability of single diamonds with their intrinsic properties, which was then examined by a deviation-probability examination. The results illustrate that it is reasonable to take the Extrapolated Onset Temperature in DTA as the characteristic temperature for thermal stability (TS) of Ib-type synthetic single diamonds. The nitrogen content and grain shape regularity of diamonds are dominating factors. Likewise, grain size and compressive strength are minor factors. In addition, GM(1,5) can be used to predict the thermal stability of Ib-type synthetic single diamonds available. The precision rank of GM(1,5) is ‘GOOD’.

基于深度学习的塑性变形理论建模研究进展

传统塑性理论模型由于引入了适当的假设和简化,面对复杂变形机制和复杂变形条件时具有局限性。基于深度学习的理论建模作为数据驱动的建模新范式,具有精度高、通用性强的特点,是塑性理论建模的重要方向。介绍了深度学习的建模方法,如传统神经网络模型、物理启发式神经网络模型和神经算子网络,分析了各个模型的特点。总结了近年来基于深度学习的塑性理论建模方法在本构关系、损伤断裂模型、微观组织模型和多尺度模型等方面应用的研究进展,并分析了提高模型精度、泛化能力和可解释性的方法。最后提出了基于深度学习的塑性理论建模方法面临的挑战和未来发展方向。

海域地震动强度包络模型研究

人工模拟地震动是目前开展海洋工程结构抗震分析的主要地震输入分析。强度包络函数是人工模拟地震动的重要参数,决定了地震动的强度非平稳性特性,并对地震动持时起控制作用。目前的地震动强度包络模型均是基于陆域地震动记录统计分析得出,无法准确反应海域地震动的强度特性。因此,基于日本K-Net强震动观测台网的实测地震数据库,分析海域地震动在时域中强度分布特性;提出适用于海域地震动的三段式强度包络模型,回归得到震级M、震中距R及关键参数上升段t_(1)、强震平稳段ts、下降段衰减率c(无量纲)的计算表达式;研究震级、震中距对海域地震动强度包络模型的影响规律,并探讨海域地震动与陆域地震动强度包络模型的异同。研究结果表明:海域地震动强度包络模型中关键参数上升段t_(1)、强震平稳段ts、下降段衰减率c的取值范围分别为[13~52 s],[12~79 s],[0.037~0.173];震级对关键参数(t_(1)、t_(s)、c)的影响要大于震中距;与陆域地震动相比,海域地震动的强度包络模型的下降段衰减率c相差显著,且各关键参数的分布范围更大。