Large eddy simulations(LESs) are performed to investigate the Cambridge premixed and stratified flames, SwB1 and SwB5, respectively. The flame surface density(FSD) model incorporated with two different wrinkling facto...Large eddy simulations(LESs) are performed to investigate the Cambridge premixed and stratified flames, SwB1 and SwB5, respectively. The flame surface density(FSD) model incorporated with two different wrinkling factor models, i.e., the Muppala and Charlette2 wrinkling factor models, is used to describe combustion/turbulence interaction, and the flamelet generated manifolds(FGM) method is employed to determine major scalars. This coupled sub-grid scale(SGS) combustion model is named as the FSD-FGM model. The FGM method can provide the detailed species in the flame which cannot be obtained from the origin FSD model. The LES results show that the FSD-FGM model has the ability of describing flame propagation, especially for stratified flames. The Charlette2 wrinkling factor model performs better than the Muppala wrinkling factor model in predicting the flame surface area change by the turbulence.The combustion characteristics are analyzed in detail by the flame index and probability distributions of the equivalence ratio and the orientation angle, which confirms that for the investigated stratified flame, the dominant combustion modes in the upstream and downstream regions are the premixed mode and the back-supported mode, respectively.展开更多
In this paper, a modified shear-lag model is developed to calculate the surface crack density in thermal barrier coatings(TBCs). The mechanical properties of TBCs are also measured to quantitatively assess their sur...In this paper, a modified shear-lag model is developed to calculate the surface crack density in thermal barrier coatings(TBCs). The mechanical properties of TBCs are also measured to quantitatively assess their surface crack density. Acoustic emission(AE) and digital image correlation methods are applied to monitor the surface cracking in TBCs under tensile loading. The results show that the calculated surface crack density from the modified model is in agreement with that obtained from experiments. The surface cracking process of TBCs can be discriminated by their AE characteristics and strain evolution. Based on the correlation of energy released from cracking and its corresponding AE signals, a linear relationship is built up between the surface crack density and AE parameters, with the slope being dependent on the mechanical properties of TBCs.展开更多
Surface energy plays an important role in the mechanical performance of nanomaterials; however, determining the surface energy density of curved surfaces remains a challenge. In this paper, we conduct atomic simulatio...Surface energy plays an important role in the mechanical performance of nanomaterials; however, determining the surface energy density of curved surfaces remains a challenge. In this paper, we conduct atomic simulations to calculate the surface energy density of spherical surfaces in various crystalline metals. It is found that the average surface energy density of spherical surfaces remains almost constant once its radius exceeds 5 nm. Then, using a geometrical analysis and the scaling law, we develop an analytical approach to estimate the surface energy density of spherical surfaces through that of planar surfaces. The theoretical prediction agrees well with the direct atomic simulations, and thus provides a simple and general method to calculate the surface energy density in crystals.展开更多
Marine engineering geology is mainly based on the actual project to study the seabed.This provides a variety of engineering geological parameters for the development of marine engineering(Zhu et al.,2016).This is an e...Marine engineering geology is mainly based on the actual project to study the seabed.This provides a variety of engineering geological parameters for the development of marine engineering(Zhu et al.,2016).This is an early展开更多
In this paper,adiabatic density surface,neutral density surface and potential density surface are compared.The adiabatic density surface is defined as the surface on which a water parcel can move adiabatically,without...In this paper,adiabatic density surface,neutral density surface and potential density surface are compared.The adiabatic density surface is defined as the surface on which a water parcel can move adiabatically,without changing its potential temperature and salinity.For a water parcel taken at a given station and pressure level,the corresponding adiabatic density surface can be determined through simple calculations.This family of surface is neutrally buoyant in the world ocean,and different from other surfaces that are not truly neutrally buoyant.In order to explore mixing path in the ocean,a mixing ratio m is introduced,which is defined as the portion of potential temperature and salinity of a water parcel that has exchanged with the environment during a segment of migration in the ocean.Two extreme situations of mixing path in the ocean are m=0(no mixing),which is represented by the adiabatic density curve,and m=1,where the original information is completely lost through mixing.The latter is represented by the neutral density curve.The reality lies in between,namely,0<m<1.In the turbulent ocean,there are potentially infinite mixing paths,some of which may be identified by using different tracers(or their combinations)and different mixing criteria.Searching for mixing paths in the real ocean presents a great challenge for further research.展开更多
We applied periodic density-functional theory to investigate the adsorption of HCN on x Ni@Pt(111) bimetallic surfaces(x = 1~4). The results have been compared with those obtained on pure Ni(111) and Pt(111) s...We applied periodic density-functional theory to investigate the adsorption of HCN on x Ni@Pt(111) bimetallic surfaces(x = 1~4). The results have been compared with those obtained on pure Ni(111) and Pt(111) surfaces. For all bimetallic surfaces,HCN is preferentially tilted with the CN bond parallel to the surface,and adsorption energies increase with an increasing number of layer Ni atoms on the surface. The adsorption energies of HCN on all bimetallic surfaces are larger than that on the Pt(111) surface,whereas the adsorption energies of HCN on 3Ni@Pt(111) and 4Ni@Pt(111) are larger than that on the Ni(111) surface,indicating that the introduction of Ni to the Pt catalyst could increase the activity of bimetallic catalyst in the hydrogenation reaction for nitriles. Larger adsorption energy of HCN leads to a longer C–N bond length and a smaller CN vibrational frequency. The analysis of Bader charge and vibrational frequencies showed obvious weakening of the adsorbed C–N bond and an indication of sp2 hybridization of both carbon and nitrogen atoms.展开更多
Based on the empirical electron surface model (EESM),the covalent electron density of dangling bonds (CEDDB) was calculated for various crystal planes of gold,and the surface energy was calculated further.Calculat...Based on the empirical electron surface model (EESM),the covalent electron density of dangling bonds (CEDDB) was calculated for various crystal planes of gold,and the surface energy was calculated further.Calculation results show that CEDDB has a great influence on the surface energy of various index surfaces and the anisotropy of the surface.The calculated surface energy is in agreement with experimental and other theoretical values.The calculated surface energy of the close-packed (111) surface has the lowest surface energy,which agrees with the theoretical prediction.Also,it is found that the spatial distribution of covalent bonds has a great influence on the surface energy of various index surfaces.Therefore,CEDDB should be a suitable parameter to describe and quantify the dangling bonds and surface energy of various crystal surfaces.展开更多
In light of the percentage of Earth’s cloud coverage, heterogeneous ice nucleation in clouds is the most important global-scale pathway. More recent parameterizations of ice nucleation processes in the atmosphere are...In light of the percentage of Earth’s cloud coverage, heterogeneous ice nucleation in clouds is the most important global-scale pathway. More recent parameterizations of ice nucleation processes in the atmosphere are based on the concept of ice nucleation active surface site density (<i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;">). It is usually assumed that </span><i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;"> is independent of time and aerosol size distribution, </span><i><span style="font-family:Verdana;">i.e.</span></i><span style="font-family:Verdana;"> that the surface properties of aerosols of the same species do not vary with size. However, the independence of </span><i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;"> on aerosol size for every species has been questioned. This study presents the results of ice nucleation processes of ATD laboratory-generated aerosol (particle diameters of 0 - 3 μm). Ice nucleation in the condensation mode was performed in a Dynamic Filter Processing Cham- ber at temperatures of </span><span style="font-family:;" "=""><span style="font-family:Verdana;"><span style="color:#4F4F4F;font-family:-apple-system, "font-size:16px;white-space:normal;background-color:#FFFFFF;">-</span></span><span style="font-family:Verdana;">18<span style="color:#4F4F4F;font-family:-apple-system, "font-size:16px;white-space:normal;background-color:#FFFFFF;">°</span>C and </span><span style="font-family:Verdana;"><span style="color:#4F4F4F;font-family:-apple-system, "font-size:16px;white-space:normal;background-color:#FFFFFF;">-</span></span><span><span style="font-family:Verdana;">22<span style="color:#4F4F4F;font-family:-apple-system, "font-size:16px;white-space:normal;background-color:#FFFFFF;">°</span>C, with a saturation ratio with respect to water of 1.02. Results show that </span><i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;"> increased by lowering the nucleation temperature, and was also dependent on the particle size. The </span><i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;"> of particles collected on the filters, after a 0.5 μm D</span><sub><span style="font-family:Verdana;">50</span></sub><span style="font-family:Verdana;"> cut-off cyclone, resulted statistically higher with respect to the values obtained from the particles collected on total filters. The results obtained suggest the need for further investigation of </span><i><span style="font-family:Verdana;">n</span></i><sub><span style="font-family:Verdana;">s</span></sub><span style="font-family:Verdana;"> dependence of same composition aerosol particles with a view to support weather and climate predictions.</span></span></span>展开更多
The solar-driven reduction of CO_(2) into valuable products is a promising method to alleviate global environmental problems and energy crises.However,the low surface charge density limits the photocatalytic conversio...The solar-driven reduction of CO_(2) into valuable products is a promising method to alleviate global environmental problems and energy crises.However,the low surface charge density limits the photocatalytic conversion performance of CO_(2).Herein,a polymeric carbon nitride(PCN)photocatalyst with Zn single atoms(Zn1/CN)was designed and synthesized for CO_(2) photoreduction.The results of the CO_(2) photoreduction studies show that the CO and CH_(4) yields of Zn1/CN increased fivefold,reaching 76.9 and 22.9μmol/(g·h),respectively,in contrast to the unmodified PCN.Ar+plasma-etched X-ray photoelectron spectroscopy and synchrotron radiation-based X-ray absorption fine structure results reveal that Zn single atom is mainly present in the interlayer space of PCN in the Zn–N_(4) configuration.Photoelectrochemical characterizations indicate that the interlayer Zn–N_(4) configuration can amplify light absorption and establish an interlayer charge transfer channel.Light-assisted Kelvin probe force microscopy confirms that more photogenerated electrons are delivered to the catalyst surface through interlayer Zn–N_(4) configuration,which increases its surface charge density.Further,in-situ infrared spectroscopy combined with density functional theory calculation reveals that promoted surface charge density accelerates key intermediates(*COOH)conversion,thus achieving efficient CO_(2) conversion.This work elucidates the role of internal single atoms in catalytic surface reactions,which provides important implications for the design of single-atom catalysts.展开更多
Melt extrusion-based additive manufacturing(ME-AM)is a promising technique to fabricate porous scaffolds for tissue engi-neering applications.However,most synthetic semicrystalline polymers do not possess the intrinsi...Melt extrusion-based additive manufacturing(ME-AM)is a promising technique to fabricate porous scaffolds for tissue engi-neering applications.However,most synthetic semicrystalline polymers do not possess the intrinsic biological activity required to control cell fate.Grafting of biomolecules on polymeric surfaces of AM scaffolds enhances the bioactivity of a construct;however,there are limited strategies available to control the surface density.Here,we report a strategy to tune the surface density of bioactive groups by blending a low molecular weight poly(ε-caprolactone)5k(PCL5k)containing orthogonally reactive azide groups with an unfunctionalized high molecular weight PCL75k at different ratios.Stable porous three-dimensional(3D)scaf-folds were then fabricated using a high weight percentage(75 wt.%)of the low molecular weight PCL 5k.As a proof-of-concept test,we prepared films of three different mass ratios of low and high molecular weight polymers with a thermopress and reacted with an alkynated fluorescent model compound on the surface,yielding a density of 201-561 pmol/cm^(2).Subsequently,a bone morphogenetic protein 2(BMP-2)-derived peptide was grafted onto the films comprising different blend compositions,and the effect of peptide surface density on the osteogenic differentiation of human mesenchymal stromal cells(hMSCs)was assessed.After two weeks of culturing in a basic medium,cells expressed higher levels of BMP receptor II(BMPRII)on films with the conjugated peptide.In addition,we found that alkaline phosphatase activity was only significantly enhanced on films contain-ing the highest peptide density(i.e.,561 pmol/cm^(2)),indicating the importance of the surface density.Taken together,these results emphasize that the density of surface peptides on cell differentiation must be considered at the cell-material interface.Moreover,we have presented a viable strategy for ME-AM community that desires to tune the bulk and surface functionality via blending of(modified)polymers.Furthermore,the use of alkyne-azide“click”chemistry enables spatial control over bioconjugation of many tissue-specific moieties,making this approach a versatile strategy for tissue engineering applications.展开更多
The surface acidity of synthetic amorphous AI hydroxide was determined by acid/base titration with several complementary methods including solution analyses of the reacted solutions and XRD characterization of the rea...The surface acidity of synthetic amorphous AI hydroxide was determined by acid/base titration with several complementary methods including solution analyses of the reacted solutions and XRD characterization of the reacted solids. The synthetic specimen was characterized to be the amorphous material showing four broad peaks in XRD pattern. XRD analyses of reacted solids after the titration experiments showed that amorphous AI hydroxide rapidly transformed to crystalline bayerite at the alkaline condition (pH〉10). The solution analyses after and during the titration Ksp=^aAl^3+/aH^+^3 ,was 10^10.3. The amount of consumption of added acid or base during the titration experiment was attributed to both the protonation/deprotonation of dissolved AI species and surface hydroxyl group. The surface acidity constants, surface hydroxyl density and specific surface area were estimated by FITEQL 4.0.展开更多
In this paper, we consider the problem of irregular shapes tracking for multiple extended targets by introducing the Gaussian surface matrix(GSM) into the framework of the random finite set(RFS) theory. The Gaussi...In this paper, we consider the problem of irregular shapes tracking for multiple extended targets by introducing the Gaussian surface matrix(GSM) into the framework of the random finite set(RFS) theory. The Gaussian surface function is constructed first by the measurements, and it is used to define the GSM via a mapping function. We then integrate the GSM with the probability hypothesis density(PHD) filter, the Bayesian recursion formulas of GSM-PHD are derived and the Gaussian mixture implementation is employed to obtain the closed-form solutions. Moreover, the estimated shapes are designed to guide the measurement set sub-partition, which can cope with the problem of the spatially close target tracking. Simulation results show that the proposed algorithm can effectively estimate irregular target shapes and exhibit good robustness in cross extended target tracking.展开更多
As a key safety component of the high-speed train, fatigue fracture of the axle would lead to major accidents such as derailment or overturning. The complexity of the axle dynamic stress test seriously enhances the di...As a key safety component of the high-speed train, fatigue fracture of the axle would lead to major accidents such as derailment or overturning. The complexity of the axle dynamic stress test seriously enhances the difficulty of axle fatigue damage analysis. In this paper, the dynamic stress test of the high-speed train axle was carried out,the axle box acceleration was monitored on-track during the test, and the relationship between the axle stress spectrum and acceleration was analyzed on-track. The results show that the relationships between the axle equivalent stresses and the Root Mean Square(RMS) values of the axle box vertical acceleration and lateral acceleration exhibit a strong joint probability density distribution. The concept of the virtual surface density of wheel-rail contact is also proposed to realize the purpose of using axle box acceleration to deduce axle equivalent force. The results quantify the relationship between axle box acceleration and axle equivalent force, provide a new method for predicting the axle damage using the acceleration RMS values, and open up a new approach for structural health monitoring of high-speed train axles.展开更多
The article created 21 types of fabrics for the new composition of dublerin. Tests of various types of weave, fiber composition and yarn count are shown in various ways. The physical and mechanical parameters of the t...The article created 21 types of fabrics for the new composition of dublerin. Tests of various types of weave, fiber composition and yarn count are shown in various ways. The physical and mechanical parameters of the test samples were determined and analyzed at the “Accredited Testing Laboratory for Light Industry Products” at the State Unitary Enterprise “Namangan Center for Testing and Certification”. The reason for such a low performance of the motos of number 15 produced in the scientific research work is that the linear densities of the body and the yarn are four times different, despite the weaving of the fabric. Elongation at break is also dependent on penetration.展开更多
An infinite panel model of giant magnetostrictive material loudspeaker system (GMMLS) is proposed by making use of finite element method(FEM). Bending wave eigenfunction is introduced to describe the acoustic radi...An infinite panel model of giant magnetostrictive material loudspeaker system (GMMLS) is proposed by making use of finite element method(FEM). Bending wave eigenfunction is introduced to describe the acoustic radiation condition of the panel. Far-field response in different conditions is calculated by changing the mass surface density. Conclusion is obtained by analyzing the curves simulated, that panel which has larger mass surface density can hardly generate far-field acoustic radiation for lower frequency, while the panel has smaller mass surface density generates far-field acoustic radiation for lower frequency evenly and stronger.展开更多
In this article, we compared four types of knitted fabrics with high two-ply shape retention. Experimental samples of a two-layer knitted fabric have been developed and graphic symbols have been applied on a flat-need...In this article, we compared four types of knitted fabrics with high two-ply shape retention. Experimental samples of a two-layer knitted fabric have been developed and graphic symbols have been applied on a flat-needle weaving machine of the 12th class LONG-XING SM 252 (China).展开更多
Science is the basis of the country’s development and wealth. In particular, it is necessary to effectively use advanced scientific developments and technical achievements in order to strengthen the economy in the pe...Science is the basis of the country’s development and wealth. In particular, it is necessary to effectively use advanced scientific developments and technical achievements in order to strengthen the economy in the period when the desire for innovation in all fields is still growing. In theoretical-experimental Scientific Research work, both theoretical and experimental results are achieved, and it is more useful to withstand more theoretical-experimental loads for a longer period of time. The occurrences in the production process of natural wool fiber technologists are a complex of physical and mechanical phenomena, which can be used only by the modern achievements of science and technology. In most cases, the parameter relationship with the factors influencing the technological process or the object can open a curve without any other things.展开更多
This paper investigated the dependence of out-of-plane electret-based vibration energy harvesters’output power,frequency bandwidth,and resonance frequency on surface charge density and load resistance.As the external...This paper investigated the dependence of out-of-plane electret-based vibration energy harvesters’output power,frequency bandwidth,and resonance frequency on surface charge density and load resistance.As the external acceleration amplitude and electret size were held constant,the following results are predicted by the numerical investigation:(1)An optimum value exists in the surface charge density to maximize the output power.As the surface charge density is increasing,electrostatic forces are enhanced,which emphasizes that the soft spring effect widens the frequency bandwidth and lowers the resonance frequency.(2)Different surface charge densities correspond to different optimum initial air gaps,resonance frequency,and optimum load resistance.(3)With the attenuation of the surface potential,the output power,frequency drift,and frequency bandwidth decreased.(4)An optimum value exists in the load resistance to maximize the output power.As the load resistance is decreasing,electrostatic force is enhanced,which lowers the resonance frequency.(5)A maximum frequency bandwidth exists with further load resistance increasing,and the initial air gap is smaller,the greater the frequency bandwidth.展开更多
An exact-designed mesh shape with favorable surface accuracy is of practical significance to the performance of large cable-network antenna reflectors. In this study, a novel design approach that could guide the gener...An exact-designed mesh shape with favorable surface accuracy is of practical significance to the performance of large cable-network antenna reflectors. In this study, a novel design approach that could guide the generation of exact spatial parabolic mesh configurations of such reflector was proposed. By incorporating the traditional force density method with the standard finite element method, this proposed approach had taken the deformation effects of flexible ring truss supports into consideration, and searched for the desired mesh shapes that can satisfy the requirement that all the free nodes are exactly located on the objective paraboloid. Compared with the conventional design method,a remarkable improvement of surface accuracy in the obtained mesh shapes had been demonstrated by numerical examples. The present work would provide a helpful technical reference for the mesh shape design of such cable-network antenna reflector in engineering practice.展开更多
Nanometer powders can be produced by an electrohydrodynamic technique. The breakup mechanism of the metal droplets generated by the electrohydrodynamic technique was analysed. It showed that the applied voltage, the e...Nanometer powders can be produced by an electrohydrodynamic technique. The breakup mechanism of the metal droplets generated by the electrohydrodynamic technique was analysed. It showed that the applied voltage, the electric field Btrength, the properties of the molten metal and the volumetric flow rate of the molten metal directly effect the breat-up extent of the metal droplets.展开更多
基金Project supported by the National Natural Science Foundation of China(Nos.91441117 and51576182)
文摘Large eddy simulations(LESs) are performed to investigate the Cambridge premixed and stratified flames, SwB1 and SwB5, respectively. The flame surface density(FSD) model incorporated with two different wrinkling factor models, i.e., the Muppala and Charlette2 wrinkling factor models, is used to describe combustion/turbulence interaction, and the flamelet generated manifolds(FGM) method is employed to determine major scalars. This coupled sub-grid scale(SGS) combustion model is named as the FSD-FGM model. The FGM method can provide the detailed species in the flame which cannot be obtained from the origin FSD model. The LES results show that the FSD-FGM model has the ability of describing flame propagation, especially for stratified flames. The Charlette2 wrinkling factor model performs better than the Muppala wrinkling factor model in predicting the flame surface area change by the turbulence.The combustion characteristics are analyzed in detail by the flame index and probability distributions of the equivalence ratio and the orientation angle, which confirms that for the investigated stratified flame, the dominant combustion modes in the upstream and downstream regions are the premixed mode and the back-supported mode, respectively.
基金supported by the National Natural Science Foundation of China(11002122,51172192,11272275,and 10828205)the Natural Science Foundation of Hunan Province(11JJ4003)+1 种基金the Key Project of Scientific Research Conditions in Hunan Province(2012TT2040)The specimens were provided by the AVIC Shenyang Liming Aero-Engine(GROUP)Corporation Ltd
文摘In this paper, a modified shear-lag model is developed to calculate the surface crack density in thermal barrier coatings(TBCs). The mechanical properties of TBCs are also measured to quantitatively assess their surface crack density. Acoustic emission(AE) and digital image correlation methods are applied to monitor the surface cracking in TBCs under tensile loading. The results show that the calculated surface crack density from the modified model is in agreement with that obtained from experiments. The surface cracking process of TBCs can be discriminated by their AE characteristics and strain evolution. Based on the correlation of energy released from cracking and its corresponding AE signals, a linear relationship is built up between the surface crack density and AE parameters, with the slope being dependent on the mechanical properties of TBCs.
基金supported by the National Natural Science Foundation of China (Grants 11272249 and 11525209)
文摘Surface energy plays an important role in the mechanical performance of nanomaterials; however, determining the surface energy density of curved surfaces remains a challenge. In this paper, we conduct atomic simulations to calculate the surface energy density of spherical surfaces in various crystalline metals. It is found that the average surface energy density of spherical surfaces remains almost constant once its radius exceeds 5 nm. Then, using a geometrical analysis and the scaling law, we develop an analytical approach to estimate the surface energy density of spherical surfaces through that of planar surfaces. The theoretical prediction agrees well with the direct atomic simulations, and thus provides a simple and general method to calculate the surface energy density in crystals.
基金support ed by NSFC Open Research Cruise (Cruise No. NORC2 015-05 and Cruise No. NORC2015-06)funded by Shipti me Sharing Project of NSFC
文摘Marine engineering geology is mainly based on the actual project to study the seabed.This provides a variety of engineering geological parameters for the development of marine engineering(Zhu et al.,2016).This is an early
文摘In this paper,adiabatic density surface,neutral density surface and potential density surface are compared.The adiabatic density surface is defined as the surface on which a water parcel can move adiabatically,without changing its potential temperature and salinity.For a water parcel taken at a given station and pressure level,the corresponding adiabatic density surface can be determined through simple calculations.This family of surface is neutrally buoyant in the world ocean,and different from other surfaces that are not truly neutrally buoyant.In order to explore mixing path in the ocean,a mixing ratio m is introduced,which is defined as the portion of potential temperature and salinity of a water parcel that has exchanged with the environment during a segment of migration in the ocean.Two extreme situations of mixing path in the ocean are m=0(no mixing),which is represented by the adiabatic density curve,and m=1,where the original information is completely lost through mixing.The latter is represented by the neutral density curve.The reality lies in between,namely,0<m<1.In the turbulent ocean,there are potentially infinite mixing paths,some of which may be identified by using different tracers(or their combinations)and different mixing criteria.Searching for mixing paths in the real ocean presents a great challenge for further research.
基金supported by the National Natural Science Foundation of China(21203027,21373048,21371034)Scientific Development Fund of Fuzhou University(2012-XQ-11)
文摘We applied periodic density-functional theory to investigate the adsorption of HCN on x Ni@Pt(111) bimetallic surfaces(x = 1~4). The results have been compared with those obtained on pure Ni(111) and Pt(111) surfaces. For all bimetallic surfaces,HCN is preferentially tilted with the CN bond parallel to the surface,and adsorption energies increase with an increasing number of layer Ni atoms on the surface. The adsorption energies of HCN on all bimetallic surfaces are larger than that on the Pt(111) surface,whereas the adsorption energies of HCN on 3Ni@Pt(111) and 4Ni@Pt(111) are larger than that on the Ni(111) surface,indicating that the introduction of Ni to the Pt catalyst could increase the activity of bimetallic catalyst in the hydrogenation reaction for nitriles. Larger adsorption energy of HCN leads to a longer C–N bond length and a smaller CN vibrational frequency. The analysis of Bader charge and vibrational frequencies showed obvious weakening of the adsorbed C–N bond and an indication of sp2 hybridization of both carbon and nitrogen atoms.
基金supported by the Beijing Natural Science Foundation,China (No.2072014)the Ph.D. Program Foundation of the Ministry of Education of China (No.200800100006)
文摘Based on the empirical electron surface model (EESM),the covalent electron density of dangling bonds (CEDDB) was calculated for various crystal planes of gold,and the surface energy was calculated further.Calculation results show that CEDDB has a great influence on the surface energy of various index surfaces and the anisotropy of the surface.The calculated surface energy is in agreement with experimental and other theoretical values.The calculated surface energy of the close-packed (111) surface has the lowest surface energy,which agrees with the theoretical prediction.Also,it is found that the spatial distribution of covalent bonds has a great influence on the surface energy of various index surfaces.Therefore,CEDDB should be a suitable parameter to describe and quantify the dangling bonds and surface energy of various crystal surfaces.
文摘In light of the percentage of Earth’s cloud coverage, heterogeneous ice nucleation in clouds is the most important global-scale pathway. More recent parameterizations of ice nucleation processes in the atmosphere are based on the concept of ice nucleation active surface site density (<i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;">). It is usually assumed that </span><i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;"> is independent of time and aerosol size distribution, </span><i><span style="font-family:Verdana;">i.e.</span></i><span style="font-family:Verdana;"> that the surface properties of aerosols of the same species do not vary with size. However, the independence of </span><i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;"> on aerosol size for every species has been questioned. This study presents the results of ice nucleation processes of ATD laboratory-generated aerosol (particle diameters of 0 - 3 μm). Ice nucleation in the condensation mode was performed in a Dynamic Filter Processing Cham- ber at temperatures of </span><span style="font-family:;" "=""><span style="font-family:Verdana;"><span style="color:#4F4F4F;font-family:-apple-system, "font-size:16px;white-space:normal;background-color:#FFFFFF;">-</span></span><span style="font-family:Verdana;">18<span style="color:#4F4F4F;font-family:-apple-system, "font-size:16px;white-space:normal;background-color:#FFFFFF;">°</span>C and </span><span style="font-family:Verdana;"><span style="color:#4F4F4F;font-family:-apple-system, "font-size:16px;white-space:normal;background-color:#FFFFFF;">-</span></span><span><span style="font-family:Verdana;">22<span style="color:#4F4F4F;font-family:-apple-system, "font-size:16px;white-space:normal;background-color:#FFFFFF;">°</span>C, with a saturation ratio with respect to water of 1.02. Results show that </span><i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;"> increased by lowering the nucleation temperature, and was also dependent on the particle size. The </span><i><span style="font-family:Verdana;">n</span><sub><span style="font-family:Verdana;">s</span></sub></i><span style="font-family:Verdana;"> of particles collected on the filters, after a 0.5 μm D</span><sub><span style="font-family:Verdana;">50</span></sub><span style="font-family:Verdana;"> cut-off cyclone, resulted statistically higher with respect to the values obtained from the particles collected on total filters. The results obtained suggest the need for further investigation of </span><i><span style="font-family:Verdana;">n</span></i><sub><span style="font-family:Verdana;">s</span></sub><span style="font-family:Verdana;"> dependence of same composition aerosol particles with a view to support weather and climate predictions.</span></span></span>
基金supported by the Strategic Priority Research Program of the Chinese Academy of Sciences,China(Nos.XDA23010300 and XDA23010000)the National Natural Science Foundation of China(Nos.51878644 and 41573138)the CAS Youth Interdisciplinary Team.
文摘The solar-driven reduction of CO_(2) into valuable products is a promising method to alleviate global environmental problems and energy crises.However,the low surface charge density limits the photocatalytic conversion performance of CO_(2).Herein,a polymeric carbon nitride(PCN)photocatalyst with Zn single atoms(Zn1/CN)was designed and synthesized for CO_(2) photoreduction.The results of the CO_(2) photoreduction studies show that the CO and CH_(4) yields of Zn1/CN increased fivefold,reaching 76.9 and 22.9μmol/(g·h),respectively,in contrast to the unmodified PCN.Ar+plasma-etched X-ray photoelectron spectroscopy and synchrotron radiation-based X-ray absorption fine structure results reveal that Zn single atom is mainly present in the interlayer space of PCN in the Zn–N_(4) configuration.Photoelectrochemical characterizations indicate that the interlayer Zn–N_(4) configuration can amplify light absorption and establish an interlayer charge transfer channel.Light-assisted Kelvin probe force microscopy confirms that more photogenerated electrons are delivered to the catalyst surface through interlayer Zn–N_(4) configuration,which increases its surface charge density.Further,in-situ infrared spectroscopy combined with density functional theory calculation reveals that promoted surface charge density accelerates key intermediates(*COOH)conversion,thus achieving efficient CO_(2) conversion.This work elucidates the role of internal single atoms in catalytic surface reactions,which provides important implications for the design of single-atom catalysts.
基金the European Research Council starting grant “Cell Hybridge” for financial support under the Horizon2020 framework program (Grant#637308)the Province of Limburg for support and funding
文摘Melt extrusion-based additive manufacturing(ME-AM)is a promising technique to fabricate porous scaffolds for tissue engi-neering applications.However,most synthetic semicrystalline polymers do not possess the intrinsic biological activity required to control cell fate.Grafting of biomolecules on polymeric surfaces of AM scaffolds enhances the bioactivity of a construct;however,there are limited strategies available to control the surface density.Here,we report a strategy to tune the surface density of bioactive groups by blending a low molecular weight poly(ε-caprolactone)5k(PCL5k)containing orthogonally reactive azide groups with an unfunctionalized high molecular weight PCL75k at different ratios.Stable porous three-dimensional(3D)scaf-folds were then fabricated using a high weight percentage(75 wt.%)of the low molecular weight PCL 5k.As a proof-of-concept test,we prepared films of three different mass ratios of low and high molecular weight polymers with a thermopress and reacted with an alkynated fluorescent model compound on the surface,yielding a density of 201-561 pmol/cm^(2).Subsequently,a bone morphogenetic protein 2(BMP-2)-derived peptide was grafted onto the films comprising different blend compositions,and the effect of peptide surface density on the osteogenic differentiation of human mesenchymal stromal cells(hMSCs)was assessed.After two weeks of culturing in a basic medium,cells expressed higher levels of BMP receptor II(BMPRII)on films with the conjugated peptide.In addition,we found that alkaline phosphatase activity was only significantly enhanced on films contain-ing the highest peptide density(i.e.,561 pmol/cm^(2)),indicating the importance of the surface density.Taken together,these results emphasize that the density of surface peptides on cell differentiation must be considered at the cell-material interface.Moreover,we have presented a viable strategy for ME-AM community that desires to tune the bulk and surface functionality via blending of(modified)polymers.Furthermore,the use of alkyne-azide“click”chemistry enables spatial control over bioconjugation of many tissue-specific moieties,making this approach a versatile strategy for tissue engineering applications.
文摘The surface acidity of synthetic amorphous AI hydroxide was determined by acid/base titration with several complementary methods including solution analyses of the reacted solutions and XRD characterization of the reacted solids. The synthetic specimen was characterized to be the amorphous material showing four broad peaks in XRD pattern. XRD analyses of reacted solids after the titration experiments showed that amorphous AI hydroxide rapidly transformed to crystalline bayerite at the alkaline condition (pH〉10). The solution analyses after and during the titration Ksp=^aAl^3+/aH^+^3 ,was 10^10.3. The amount of consumption of added acid or base during the titration experiment was attributed to both the protonation/deprotonation of dissolved AI species and surface hydroxyl group. The surface acidity constants, surface hydroxyl density and specific surface area were estimated by FITEQL 4.0.
基金supported by the National Natural Science Foundation of China(6130501761304264+1 种基金61402203)the Natural Science Foundation of Jiangsu Province(BK20130154)
文摘In this paper, we consider the problem of irregular shapes tracking for multiple extended targets by introducing the Gaussian surface matrix(GSM) into the framework of the random finite set(RFS) theory. The Gaussian surface function is constructed first by the measurements, and it is used to define the GSM via a mapping function. We then integrate the GSM with the probability hypothesis density(PHD) filter, the Bayesian recursion formulas of GSM-PHD are derived and the Gaussian mixture implementation is employed to obtain the closed-form solutions. Moreover, the estimated shapes are designed to guide the measurement set sub-partition, which can cope with the problem of the spatially close target tracking. Simulation results show that the proposed algorithm can effectively estimate irregular target shapes and exhibit good robustness in cross extended target tracking.
基金supported by the National Natural Science Foundation of China(52075032)the Science and Technology Research and Development Program of China State Railway Group Co.,Ltd.(K2022J023).
文摘As a key safety component of the high-speed train, fatigue fracture of the axle would lead to major accidents such as derailment or overturning. The complexity of the axle dynamic stress test seriously enhances the difficulty of axle fatigue damage analysis. In this paper, the dynamic stress test of the high-speed train axle was carried out,the axle box acceleration was monitored on-track during the test, and the relationship between the axle stress spectrum and acceleration was analyzed on-track. The results show that the relationships between the axle equivalent stresses and the Root Mean Square(RMS) values of the axle box vertical acceleration and lateral acceleration exhibit a strong joint probability density distribution. The concept of the virtual surface density of wheel-rail contact is also proposed to realize the purpose of using axle box acceleration to deduce axle equivalent force. The results quantify the relationship between axle box acceleration and axle equivalent force, provide a new method for predicting the axle damage using the acceleration RMS values, and open up a new approach for structural health monitoring of high-speed train axles.
文摘The article created 21 types of fabrics for the new composition of dublerin. Tests of various types of weave, fiber composition and yarn count are shown in various ways. The physical and mechanical parameters of the test samples were determined and analyzed at the “Accredited Testing Laboratory for Light Industry Products” at the State Unitary Enterprise “Namangan Center for Testing and Certification”. The reason for such a low performance of the motos of number 15 produced in the scientific research work is that the linear densities of the body and the yarn are four times different, despite the weaving of the fabric. Elongation at break is also dependent on penetration.
文摘An infinite panel model of giant magnetostrictive material loudspeaker system (GMMLS) is proposed by making use of finite element method(FEM). Bending wave eigenfunction is introduced to describe the acoustic radiation condition of the panel. Far-field response in different conditions is calculated by changing the mass surface density. Conclusion is obtained by analyzing the curves simulated, that panel which has larger mass surface density can hardly generate far-field acoustic radiation for lower frequency, while the panel has smaller mass surface density generates far-field acoustic radiation for lower frequency evenly and stronger.
文摘In this article, we compared four types of knitted fabrics with high two-ply shape retention. Experimental samples of a two-layer knitted fabric have been developed and graphic symbols have been applied on a flat-needle weaving machine of the 12th class LONG-XING SM 252 (China).
文摘Science is the basis of the country’s development and wealth. In particular, it is necessary to effectively use advanced scientific developments and technical achievements in order to strengthen the economy in the period when the desire for innovation in all fields is still growing. In theoretical-experimental Scientific Research work, both theoretical and experimental results are achieved, and it is more useful to withstand more theoretical-experimental loads for a longer period of time. The occurrences in the production process of natural wool fiber technologists are a complex of physical and mechanical phenomena, which can be used only by the modern achievements of science and technology. In most cases, the parameter relationship with the factors influencing the technological process or the object can open a curve without any other things.
基金Supported by National High Technology R&D Program(SS2013AA041104)
文摘This paper investigated the dependence of out-of-plane electret-based vibration energy harvesters’output power,frequency bandwidth,and resonance frequency on surface charge density and load resistance.As the external acceleration amplitude and electret size were held constant,the following results are predicted by the numerical investigation:(1)An optimum value exists in the surface charge density to maximize the output power.As the surface charge density is increasing,electrostatic forces are enhanced,which emphasizes that the soft spring effect widens the frequency bandwidth and lowers the resonance frequency.(2)Different surface charge densities correspond to different optimum initial air gaps,resonance frequency,and optimum load resistance.(3)With the attenuation of the surface potential,the output power,frequency drift,and frequency bandwidth decreased.(4)An optimum value exists in the load resistance to maximize the output power.As the load resistance is decreasing,electrostatic force is enhanced,which lowers the resonance frequency.(5)A maximum frequency bandwidth exists with further load resistance increasing,and the initial air gap is smaller,the greater the frequency bandwidth.
文摘An exact-designed mesh shape with favorable surface accuracy is of practical significance to the performance of large cable-network antenna reflectors. In this study, a novel design approach that could guide the generation of exact spatial parabolic mesh configurations of such reflector was proposed. By incorporating the traditional force density method with the standard finite element method, this proposed approach had taken the deformation effects of flexible ring truss supports into consideration, and searched for the desired mesh shapes that can satisfy the requirement that all the free nodes are exactly located on the objective paraboloid. Compared with the conventional design method,a remarkable improvement of surface accuracy in the obtained mesh shapes had been demonstrated by numerical examples. The present work would provide a helpful technical reference for the mesh shape design of such cable-network antenna reflector in engineering practice.
文摘Nanometer powders can be produced by an electrohydrodynamic technique. The breakup mechanism of the metal droplets generated by the electrohydrodynamic technique was analysed. It showed that the applied voltage, the electric field Btrength, the properties of the molten metal and the volumetric flow rate of the molten metal directly effect the breat-up extent of the metal droplets.