Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for ca...Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for catalyst design and performance improvement in these applications.In this work,we systematically investigate the HPOR/HPRR mechanisms on low-index Pt surfaces,specifically Pt(111),Pt(100)and Pt(110),through density functional theory(DFT)calculations combined with the computational hydrogen electrode(CHE)model.For HPOR,all the low-index Pt surfaces exhibit a unified potential-determining step(PDS)involving the electrochemical oxidation of hydroperoxyl intermediates(HOO*).The binding free energy of HOO*(Δ_(GHOO*))emerges as an activity descriptor,with Pt(110)exhibiting the highest HPOR activity.The HPRR mechanism follows a chem-electrochemical(C-EC)pathway.The rate-determining step(RDS)of HPRR is either the cleavage of the HO-OH bond(chemical)or the reduction of HO(electrochemical),depending on their respective activation energies.These activation energies are functions of the HO*binding free energy,Δ_(GHO*),establishingΔ_(GHO*)as the descriptor for HPRR activity prediction.Pt(111)and Pt(100)are identified as the most active HPRR catalysts among the studied metal surfaces,although they still experience a significant overpotential.The scaling relationship betweenΔ_(GHOO*)andΔ_(GHO*)reveals a thermodynamic coupling of HPOR and HPRR,explaining their occurrence on Pt surfaces.These findings provide important insights and activity descriptors for both HPOR and HPRR,providing valuable guidance for the design of electrocatalysts in H_(2)O_(2)-related energy applications and fuel cells.展开更多
Runway surface roughness significantly influences aircraft vibrations during takeoff and landing,affecting both flight safety and pavement durability.Aircraft operate at high speeds and wide gear spans,making them sen...Runway surface roughness significantly influences aircraft vibrations during takeoff and landing,affecting both flight safety and pavement durability.Aircraft operate at high speeds and wide gear spans,making them sensitive to long-wavelength(15–120 m)and lateral irregularities,which are often overlooked in traditional roughness models.This study aims to construct a three-dimensional runway roughness modeling framework integrating"precise detection-spectrum analysis-spatial reconstruction"in response to this issue.Combining the elevation data of 37 runways(5 asphalt runways and 32 cement runways)measured by a vehicle-mounted laser profilometer and the BeiDou positioning system,the power spectrum analysis was carried out by the Burg method and the spectrum models of asphalt and cement runways were fitted respectively.Meanwhile,a new exponential lateral coherence function was proposed.Finally,the three-dimensional spatial model was reconstructed by using the transfer function and genetic algorithm.The results show that the error of the measured elevation data is less than 1 cm.The spectral characteristics of different pavement types are significantly different.Among them,the R^(2) of the asphalt runway fitted with the Sussman model is greater than 0.9.The cement runway needs to be characterized by a piecewise function to represent the spectral mutation.The fitting error of the new index's lateral coherence function has been reduced to 0.012.The reconstructed three-dimensional model is in good agreement with the theoretical value and the error does not exceed 0.18 mm^(2) m/c.Finally,a three-dimensional model of 0–20 m in the lateral direction and 3000 m in the longitudinal direction is generated,providing support for aircraft vibration simulation and pavement maintenance.展开更多
The fatigue life of components can be significantly enhanced by the formation of the surface hardness layer through surface strengthening technology.To avoid the geometric distortion of thin-walled com-ponents caused ...The fatigue life of components can be significantly enhanced by the formation of the surface hardness layer through surface strengthening technology.To avoid the geometric distortion of thin-walled com-ponents caused by strengthening,the strengthening energy is limited and the ideal strengthening effect cannot be obtained.This work aims to propose a novel approach to address this issue effectively.The surface layer with high-density dislocations was obtained by a low-energy surface strengthening method(shot peening)at first.Then the surface strengthening mechanism changes from dislocation strengthen-ing to grain boundary strengthening after electropulsing treatment(EPT).The evolution of residual stress and microstructure was analyzed using multi-scale characterization techniques.The results demonstrate that EPT followed by surface strengthening makes a remarkable 304%increase in fatigue life of TC11 titanium alloy.The enhancement of fatigue life can be attributed to the grain refinement accompanied by the formation of nanotwins and sub-grains in the surface-strengthened layer,as well as the reduction in dislocation density within the substrate after EPT.This study demonstrates the significant potential of EPT in further enhancing the fatigue life of surface pre-strengthened thin-walled components.展开更多
The polar interface optical （IO） and surface optical （SO） phonon modes and the corresponding Froehlich electron phonon-interaction Hamiltonian in a freestanding multi-layer wurtzite cylindrical quantum wire （QWR...The polar interface optical （IO） and surface optical （SO） phonon modes and the corresponding Froehlich electron phonon-interaction Hamiltonian in a freestanding multi-layer wurtzite cylindrical quantum wire （QWR） are derived and studied by employing the transfer matrix method in the dielectric continuum approximation and Loudon＇s uniaxial crystal model. A numerical calculation of a freestanding wurtzite GaN/AlN QWR is performed. The results reveal that for a relatively large azimuthal quantum number m or wave-number kz in the free z-direction, there exist two branches of IO phonon modes localized at the interface, and only one branch of SO mode localized at the surface in the system. The degenerating behaviours of the IO and SO phonon modes in the wurtzite QWR have also been clearly observed for a small kz or m. The limiting frequency properties of the IO and SO modes for large kz and m have been explained reasonably from the mathematical and physical viewpoints. The calculations of electron-phonon coupling functions show that the high-frequency IO phonon branch and SO mode play a more important role in the electron phonon interaction.展开更多
Stress distribution in the gradient multi-layered surface under a sliding contact was investigated using finite element method(FEM). The main structure parameters of layered surface discussed are total layer thickness...Stress distribution in the gradient multi-layered surface under a sliding contact was investigated using finite element method(FEM). The main structure parameters of layered surface discussed are total layer thickness,layer number and elastic modulus ratio of layer to the substrate. A model of multi-layered surface contact with rough slider was studied. The effect of the surface structure parameters on the elastic-plastic deformation was analyzed.展开更多
The multi-layer ceramic capacitor (MLCC) alignment system aims at the inter-process automation between the first and the second plastic processes.As a result of testing performance verification of MLCC alignment syste...The multi-layer ceramic capacitor (MLCC) alignment system aims at the inter-process automation between the first and the second plastic processes.As a result of testing performance verification of MLCC alignment system,the average alignment rates are 95% for 3216 chip,88.5% for 2012 chip and 90.8% for 3818 chip.The MLCC alignment system can be accepted for practical use because the average manual alignment is just 80%.In other words,the developed MLCC alignment system has been upgraded to a great extent,compared with manual alignment.Based on the successfully developed MLCC alignment system,the optimal transfer conditions have been explored by using RSM.The simulations using ADAMS has been performed according to the cube model of CCD.By using MiniTAB,the model of response surface has been established based on the simulation results.The optimal conditions resulted from the response optimization tool of MiniTAB has been verified by being assigned to the prototype of MLCC alignment system.展开更多
The effect of boron mud and CaF2,which were used as fluxing agents,on surface tension and density of CaO-SiO2-B2O3 ternary slag systems was investigated.The surface tension and density were measured by using the ring ...The effect of boron mud and CaF2,which were used as fluxing agents,on surface tension and density of CaO-SiO2-B2O3 ternary slag systems was investigated.The surface tension and density were measured by using the ring detachment method and Archimedean method,respectively.The results indicated that surface tension and density of the slag systems decreased with increasing temperature in the range of 1380-1480℃.When 5%-10% CaF2 was employed as fluxing agent,the surface tension and density of slag were decreased with increasing CaF2 content,and the surface tension changed from 0.3to 0.6N/m,while the density changed from 3.4to 4.1g/cm3.However,when using 5%-10%boron mud as fluxing agent,the surface tension was enhanced,whereas the density decreased with the increase of boron mud content,and the variation range was 0.4-0.6N/m for surface tension and 3.2-3.9g/cm3 for the density.As a conclusion,using boron mud as fluxing agent to substitute for CaF2 did not cause significant changes in slag surface tension and density.展开更多
Aiming at the process of smelting ultra-high(>80%)or even full vanadium titanomagnetite in blast furnace,we are conducting a series of works on physics character of high TiO_(2) bearing blast furnace slag(BFS)for s...Aiming at the process of smelting ultra-high(>80%)or even full vanadium titanomagnetite in blast furnace,we are conducting a series of works on physics character of high TiO_(2) bearing blast furnace slag(BFS)for slag optimization.This work discussed the density and surface tension of high TiO_(2) bearing BFS using the Archimedean principle and the maximum bubble pressure method,respectively.The influence of TiO_(2) content and the MgO/CaO mass ratio on the density and surface tension of CaO-SiO_(2)-TiO_(2)-MgO-Al_(2)O_(3)slags were investigated Results indicated that the density of slags decreased with the TiO_(2) content increasing from 20wt%to 30wt%,but it increased slightly with the MgO/CaO mass ratio increasing from 0.32 to 0.73.In view of silicate network structure,the density and the degree of polymerization(DOP)of network structure have a consistent trend.The addition of TiO_(2) reduced(Q^(3))^(2)/(Q^(2)) ratio(Q^(2) and Q^(3) represent structural unit with bridge oxygen number of 2 and 3,respectively)and then decreased DOP,which led to the decrease of slag density.The surface tension of CaO-SiO_(2)-TiO_(2)-MgO-Al_(2)O_(3) slags decreased dramatically with the TiO_(2) content increasing from 20wt%to 30wt%.Conversely,it increased with the MgO/CaO mass ratio increasing from 0.32 to 0.73.Furthermore,the iso-surface tension lines were obtained under 1723 K using the Tanaka developed model in view of Butler formula.It may be useful for slag optimization of ultra-high proportion(>80%)or even full vanadium titanomagnetite under BF smelting.展开更多
This experiment obtained different laser energy density(LED) by changing SLM molding process parameters.The surface morphology, surface quality, and microstructure of as-fabricated samples were studied. The effects of...This experiment obtained different laser energy density(LED) by changing SLM molding process parameters.The surface morphology, surface quality, and microstructure of as-fabricated samples were studied. The effects of scanning speed, hatching space, and laser power on surface quality were analyzed, and the optimal LED range for surface quality was determined. The results show that pores and spherical particles appear on the sample’s surface when low LED is applied, while there are lamellar structures on the sides of the samples. Cracks appear on the sample’s surface,and the splash phenomenon increases when a high LED is taken. At the same time, a large amount of unmelted powder adhered to the side of the sample. The surface quality is the best when the LED is 150-170 J/mm^(3). The preferred hatch space is currently 0.05-0.09 mm, the laser power is 200-350 W, and the average surface roughness value is(15.1±3) μm.The average surface hardness reaches HV404±HV3, higher than the forging standard range of HV340-HV395.Increasing the LED within the experiment range can increase the surface hardness, yet an excessively high LED will not further increase the surface hardness. The microstructure is composed of needle-like α’-phases with a length of about 20μm, in a crisscross ‘N’ shape, when the LED is low. The β-phase grain boundary is not obvious, and the secondaryphase volume fraction is high;when the LED is high, the α’-phase of the microstructure is in the form of coarse slats, and the secondary-phase is composed of a small amount of secondary α’-phase, the tertiary α’-phase and the fourth α’-phase disappear, and the volume fraction of the secondary-phase becomes low.展开更多
The densities and surface tensions of [Bmim][TFO]/H2SO4, [Hmim][TFO]/H2SO4 and [Omim][TFO]/H2SO4 binary mixtures were measured by pycnometer and Wilhelmy plate method respectively. The results show that densities and ...The densities and surface tensions of [Bmim][TFO]/H2SO4, [Hmim][TFO]/H2SO4 and [Omim][TFO]/H2SO4 binary mixtures were measured by pycnometer and Wilhelmy plate method respectively. The results show that densities and surface tensions of the mixtures decreased monotonously with increasing temperatures and increasing ionic liquid （IL） molar fraction. IL with longer alkyl side-chain length brings a lower density and a smaller surface tension to the ILs/H2SO4 binary mixtures. The densities and surface tensions of the mixtures are fitted well by Jouyban-Acree （JAM） model and LWW model respectively. Redlich-Kister （R-K）equation and modified Redlich-Kister （R-K） equation describe the excess molar volumes and excess surface tensions of the mixtures well respectively. Adding a small amount of ILs （XIL 〈 0.1 ） into sulfuric acid brings an obvious decrease to the density and the surface tension. The results imply that the densities and surface tensions of IL5/H2SO4 binary mixtures can be modulated by changing the IL dosage or tailoring the IL structure.展开更多
This review article commences with a comprehensive historical review of the evolution and application of various density surfaces in atmospheric and oceanic studies. The background provides a basis for the birth of th...This review article commences with a comprehensive historical review of the evolution and application of various density surfaces in atmospheric and oceanic studies. The background provides a basis for the birth of the neutral density idea. Attention is paid to the development of the neutral density surface concept from the nonlinearity of the equation of state of seawater. The definition and properties of neutral density surface are described in detail as developed from the equations of state of seawater and the buoyancy frequency when the squared buoyancy frequency N2 is zero, a neutral state of stability. In order to apply the neutral density surface to intermediate water-mass analysis, this review also describes in detail its practical oceanographic application. The mapping technique is focused for the first time on applying regularly gridded data in this review. It is reviewed how a backbone and ribs framework was designed to flesh out from a reference cast and first mapped the global neutral surfaces in the world’s oceans. Several mapped neutral density surfaces are presented as examples for each world ocean. The water-mass property is analyzed in each ocean at mid-depth. The characteristics of neutral density surfaces are compared with those of potential density surfaces.展开更多
Pyrite （FeS2） bulk and （100） surface properties and the oxygen adsorption on the surface were studied by using density functional theory methods. The results show that in the formation of FeS2 （100） surface, the...Pyrite （FeS2） bulk and （100） surface properties and the oxygen adsorption on the surface were studied by using density functional theory methods. The results show that in the formation of FeS2 （100） surface, there exists a process of electron transfer from Fe dangling bond to S dangling bond. In this situation, surface Fe and S atoms have more ionic properties. Both Fe2+ and S2- have high electrochemistry reduction activity, which is the base for oxygen adsorption. From the viewpoint of adsorption energy, the parallel form oxygen adsorption is in preference. The result also shows that the state of oxygen absorbed on FeS2 surface acts as peroxides rather than O2.展开更多
Evaluating the effect of metal surface density on catalytic performance is critical for designing high-activity metal-based catalysts.In this study,a series of ceria(CeCO_(2))-supported Ru catalysts(Ru/CeCO_(2))were p...Evaluating the effect of metal surface density on catalytic performance is critical for designing high-activity metal-based catalysts.In this study,a series of ceria(CeCO_(2))-supported Ru catalysts(Ru/CeCO_(2))were prepared to analyze the effect of Ru surface density on the catalytic performance of Ru/CeCO_(2) for ammonia synthesis.For the Ru/CeCO_(2) catalysts with Ru surface densities lower than 0.68 Ru nm^(-2),the Ru layers were in close contact with CeCO_(2),and electrons were transferred directly from the CeCO_(2) defect sites to the Ru species.In such cases,the adsorption of hydrogen species on the Ru sites in the vicinity of 0 atoms was high,leading to a high ammonia synthesis activity and strong hydrogen poisoning.In contrast,the preferential aggregation of Ru species into large particles on top of the Ru overlayer resulted in the coexistence of Ru clusters and particles,for catalysts with a Ru surface density higher than 1.4 Ru nm^(-2),for which Ru particles were isolated from the direct electronic influence of CeCO_(2).Consequently,the Ru-Ceth interactions were weak,and hydrogen poisoning can be significantly alleviated.Overall,electron transfer and hydrogen adsorption synergistically affected the synthesis of ammonia over Ru/CeCO_(2) catalysts,and catalyst samples with a Ru surface density lower than 0.31 Ru nm^(-2) or exactly 2.1 Ru nm^(-2) exhibited high catalytic activity for ammonia synthesis.展开更多
Adsorption of CH3O at four sites （top, bridge, hcp, fcc） on Au（111） surface has been investigated by density functional theory method at the generalized gradient approximation level. We have performed calculations...Adsorption of CH3O at four sites （top, bridge, hcp, fcc） on Au（111） surface has been investigated by density functional theory method at the generalized gradient approximation level. We have performed calculations on adsorption energies, structures, Mulliken charges and vibrational frequencies of CH3O on Au（111） surface with full-geometry optimization. The predicted results are compared with the available experimental observation. The calculated CH3O adsorption structure and stretching vibrational frequencies agree well with experimental ones, and precise determinations of adsorption sites are carded out. The most favorite adsorption on Au（111） occurs at the bridge site, and O-C axis is tilted to the surface. However, on hollow sites （hcp, fcc） the species is adsorbed in an upright geometry （pseudo-C3v local symmetry）.展开更多
The plane-wave pseudopotential function method, based on density-functional theory, has been used to calculate the adsorption, electronic band structures, orbitals and optical absorption spectrum of [Fe（CN）6]^4- on ...The plane-wave pseudopotential function method, based on density-functional theory, has been used to calculate the adsorption, electronic band structures, orbitals and optical absorption spectrum of [Fe（CN）6]^4- on TiOz anatase（101） surface. Our calculations reveal that the surface-modified anatase system has large adsorption energy and a much narrower band gap. [Fe（CN）6]^4- adsorption on the （101） surface could lead to a large red shift of the anatase optical absorption threshold, which extends into a visible region significantly. The calculated results are in agreement with the experiment and other theoretical studies reasonably. It is very important for the understanding and further development ofphotovoltaic materials that are active under visible light.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
In molten phase metallurgical processes,mixing via gas injection has a vital role in obtaining a homogeneous product.The efficiency of mixing depends on operational variables such as gas flow rate and slag height as w...In molten phase metallurgical processes,mixing via gas injection has a vital role in obtaining a homogeneous product.The efficiency of mixing depends on operational variables such as gas flow rate and slag height as well as physical properties of the molten phases.A numerical simulation is conducted to study the above parameters in the flow behavior of a bottom-blown bath.The molten metal and the slag are modeled by water and oil,respectively.The numerical results,particularly the mixing time,are validated against experimental data.The results show that mixing time increases as the slag height increases and decreases as the density of the slag material increases.The mixing time decreases with an increase in the density of the primary phase;however,it increases as the surface tension between air and water increases.A case with properties close to a real molten metal is also modeled.The performance of the system is influenced by the momentum rather than the dissipative forces.Thus,the effect of the density of the molten phase on the mixing process is more pronounced compared to the effect of the surface tension between the air and the molten phase.展开更多
The bubble's largest pressure method was employed to measure the densities and the surface tensions ofthe NaCl-KCl(equimolar)-ScCl3 system in which the contents of ScCl3 were 10%, 20%, 30% and 40%, respectively.Th...The bubble's largest pressure method was employed to measure the densities and the surface tensions ofthe NaCl-KCl(equimolar)-ScCl3 system in which the contents of ScCl3 were 10%, 20%, 30% and 40%, respectively.The results show that while temperature increases, the densities and the sufface tensions of the melts will decrease at thesame content of ScCl3; while the content of ScCl3 in the melts increases, the densities of the melts will increase and thesufface tentions of the melts will decrease at the same temperature. The least-square method was used to treat the data,and the regression functions of the densities and the surface tensions with temperature were given. It is known from theresults that the physicochemical properties of the NaCl-KCl (equimolar)-ScCl3 system can meet the requirements ofpreparation of Al-Sc alloys through the molten salt electrolysis.展开更多
A neutral density surface is a logical study frame for water-mass mixing since water parcels spread along such a surface without doing work against buoyancy restoring force. Mesoscale eddies are believed to stir and s...A neutral density surface is a logical study frame for water-mass mixing since water parcels spread along such a surface without doing work against buoyancy restoring force. Mesoscale eddies are believed to stir and subsequently mix predominantly along such surfaces. Because of the nonlinear nature of the equation of state of seawater, the process of accurately mapping a neutral density surface necessarily involves lateral computation from one conductivity, temperature and depth (CTD) cast to the next in a logical sequence. By contrast, the depth of a potential density surface on any CTD cast is found solely from the data on this cast. The lateral calculation procedure causes a significant inconvenience. In a previous paper by present author published in this journal (You, 2006), the mapping of neutral density surfaces with regularly gridded data such as Levitus data has been introduced. In this note, I present a new method to find the depth of a neutral density surface from a cast without having to specify an integration path in space. An appropriate reference point is required that is on the neutral density surface and thereafter the neutral density surface can be de- termined by using the CTD casts in any order. This method is only approximate and the likely errors can be estimated by plotting a scatter diagram of all the pressures and potential temperatures on the neutral density surfaces. The method assumes that the variations of potential temperature and pressure (with respect to the values at the reference point) on the neutral density surface are proportional. It is important to select the most appropriate reference point in order to approximately satisfy this assumption, and in practice this is found by inspecting the θ-p plot of data on the surface. This may require that the algorithm be used twice. When the straight lines on the θ-p plot, drawn from the reference point to other points on the neutral density surface, enclose an area that is external to the clus- ter of θ-p points of the neutral density surface, errors will occur, and these errors can be quantified from this diagram. Examples showing the use of the method are presented for each of the world’s main oceans.展开更多
基金Supported by the Shanxi Province Grant(202203021212007,2023SHB003).
文摘Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for catalyst design and performance improvement in these applications.In this work,we systematically investigate the HPOR/HPRR mechanisms on low-index Pt surfaces,specifically Pt(111),Pt(100)and Pt(110),through density functional theory(DFT)calculations combined with the computational hydrogen electrode(CHE)model.For HPOR,all the low-index Pt surfaces exhibit a unified potential-determining step(PDS)involving the electrochemical oxidation of hydroperoxyl intermediates(HOO*).The binding free energy of HOO*(Δ_(GHOO*))emerges as an activity descriptor,with Pt(110)exhibiting the highest HPOR activity.The HPRR mechanism follows a chem-electrochemical(C-EC)pathway.The rate-determining step(RDS)of HPRR is either the cleavage of the HO-OH bond(chemical)or the reduction of HO(electrochemical),depending on their respective activation energies.These activation energies are functions of the HO*binding free energy,Δ_(GHO*),establishingΔ_(GHO*)as the descriptor for HPRR activity prediction.Pt(111)and Pt(100)are identified as the most active HPRR catalysts among the studied metal surfaces,although they still experience a significant overpotential.The scaling relationship betweenΔ_(GHOO*)andΔ_(GHO*)reveals a thermodynamic coupling of HPOR and HPRR,explaining their occurrence on Pt surfaces.These findings provide important insights and activity descriptors for both HPOR and HPRR,providing valuable guidance for the design of electrocatalysts in H_(2)O_(2)-related energy applications and fuel cells.
基金supported by the National Natural Science Foundation of China(Grant No.52402430,52572380)the Natural Science Foundation of Shanghai(Grant No.23ZR1466300).
文摘Runway surface roughness significantly influences aircraft vibrations during takeoff and landing,affecting both flight safety and pavement durability.Aircraft operate at high speeds and wide gear spans,making them sensitive to long-wavelength(15–120 m)and lateral irregularities,which are often overlooked in traditional roughness models.This study aims to construct a three-dimensional runway roughness modeling framework integrating"precise detection-spectrum analysis-spatial reconstruction"in response to this issue.Combining the elevation data of 37 runways(5 asphalt runways and 32 cement runways)measured by a vehicle-mounted laser profilometer and the BeiDou positioning system,the power spectrum analysis was carried out by the Burg method and the spectrum models of asphalt and cement runways were fitted respectively.Meanwhile,a new exponential lateral coherence function was proposed.Finally,the three-dimensional spatial model was reconstructed by using the transfer function and genetic algorithm.The results show that the error of the measured elevation data is less than 1 cm.The spectral characteristics of different pavement types are significantly different.Among them,the R^(2) of the asphalt runway fitted with the Sussman model is greater than 0.9.The cement runway needs to be characterized by a piecewise function to represent the spectral mutation.The fitting error of the new index's lateral coherence function has been reduced to 0.012.The reconstructed three-dimensional model is in good agreement with the theoretical value and the error does not exceed 0.18 mm^(2) m/c.Finally,a three-dimensional model of 0–20 m in the lateral direction and 3000 m in the longitudinal direction is generated,providing support for aircraft vibration simulation and pavement maintenance.
基金supported by the National Nature Science Foun-dation of China(Grant No.50875061).
文摘The fatigue life of components can be significantly enhanced by the formation of the surface hardness layer through surface strengthening technology.To avoid the geometric distortion of thin-walled com-ponents caused by strengthening,the strengthening energy is limited and the ideal strengthening effect cannot be obtained.This work aims to propose a novel approach to address this issue effectively.The surface layer with high-density dislocations was obtained by a low-energy surface strengthening method(shot peening)at first.Then the surface strengthening mechanism changes from dislocation strengthen-ing to grain boundary strengthening after electropulsing treatment(EPT).The evolution of residual stress and microstructure was analyzed using multi-scale characterization techniques.The results demonstrate that EPT followed by surface strengthening makes a remarkable 304%increase in fatigue life of TC11 titanium alloy.The enhancement of fatigue life can be attributed to the grain refinement accompanied by the formation of nanotwins and sub-grains in the surface-strengthened layer,as well as the reduction in dislocation density within the substrate after EPT.This study demonstrates the significant potential of EPT in further enhancing the fatigue life of surface pre-strengthened thin-walled components.
基金Project supported by the National Natural Science Foundation of China （Grant Nos 60276004 and 60390073） and the Natural Science Foundation of Guangzhou Education Bureau, China （Grant No 2060）. Acknowledgement The author would like to thank Professor J J Shi for detailed and valuable discussion.
文摘The polar interface optical （IO） and surface optical （SO） phonon modes and the corresponding Froehlich electron phonon-interaction Hamiltonian in a freestanding multi-layer wurtzite cylindrical quantum wire （QWR） are derived and studied by employing the transfer matrix method in the dielectric continuum approximation and Loudon＇s uniaxial crystal model. A numerical calculation of a freestanding wurtzite GaN/AlN QWR is performed. The results reveal that for a relatively large azimuthal quantum number m or wave-number kz in the free z-direction, there exist two branches of IO phonon modes localized at the interface, and only one branch of SO mode localized at the surface in the system. The degenerating behaviours of the IO and SO phonon modes in the wurtzite QWR have also been clearly observed for a small kz or m. The limiting frequency properties of the IO and SO modes for large kz and m have been explained reasonably from the mathematical and physical viewpoints. The calculations of electron-phonon coupling functions show that the high-frequency IO phonon branch and SO mode play a more important role in the electron phonon interaction.
基金Project(50071014) supported by the National Natural Science Foundation of China
文摘Stress distribution in the gradient multi-layered surface under a sliding contact was investigated using finite element method(FEM). The main structure parameters of layered surface discussed are total layer thickness,layer number and elastic modulus ratio of layer to the substrate. A model of multi-layered surface contact with rough slider was studied. The effect of the surface structure parameters on the elastic-plastic deformation was analyzed.
基金supported by the Second Stage of Brain Korea 21 Projectssupported (in part) by the Solomon Mechanics Inc
文摘The multi-layer ceramic capacitor (MLCC) alignment system aims at the inter-process automation between the first and the second plastic processes.As a result of testing performance verification of MLCC alignment system,the average alignment rates are 95% for 3216 chip,88.5% for 2012 chip and 90.8% for 3818 chip.The MLCC alignment system can be accepted for practical use because the average manual alignment is just 80%.In other words,the developed MLCC alignment system has been upgraded to a great extent,compared with manual alignment.Based on the successfully developed MLCC alignment system,the optimal transfer conditions have been explored by using RSM.The simulations using ADAMS has been performed according to the cube model of CCD.By using MiniTAB,the model of response surface has been established based on the simulation results.The optimal conditions resulted from the response optimization tool of MiniTAB has been verified by being assigned to the prototype of MLCC alignment system.
基金Item Sponsored by National Natural Science Foundation of China(51174099)Natural Science Foundation of Jiangsu Province of China(BK2010355)
文摘The effect of boron mud and CaF2,which were used as fluxing agents,on surface tension and density of CaO-SiO2-B2O3 ternary slag systems was investigated.The surface tension and density were measured by using the ring detachment method and Archimedean method,respectively.The results indicated that surface tension and density of the slag systems decreased with increasing temperature in the range of 1380-1480℃.When 5%-10% CaF2 was employed as fluxing agent,the surface tension and density of slag were decreased with increasing CaF2 content,and the surface tension changed from 0.3to 0.6N/m,while the density changed from 3.4to 4.1g/cm3.However,when using 5%-10%boron mud as fluxing agent,the surface tension was enhanced,whereas the density decreased with the increase of boron mud content,and the variation range was 0.4-0.6N/m for surface tension and 3.2-3.9g/cm3 for the density.As a conclusion,using boron mud as fluxing agent to substitute for CaF2 did not cause significant changes in slag surface tension and density.
基金financially supported by the National Key R&D Program of China(No.2018YFC1900500)the Key Fund of Natural Science(No.51974048)。
文摘Aiming at the process of smelting ultra-high(>80%)or even full vanadium titanomagnetite in blast furnace,we are conducting a series of works on physics character of high TiO_(2) bearing blast furnace slag(BFS)for slag optimization.This work discussed the density and surface tension of high TiO_(2) bearing BFS using the Archimedean principle and the maximum bubble pressure method,respectively.The influence of TiO_(2) content and the MgO/CaO mass ratio on the density and surface tension of CaO-SiO_(2)-TiO_(2)-MgO-Al_(2)O_(3)slags were investigated Results indicated that the density of slags decreased with the TiO_(2) content increasing from 20wt%to 30wt%,but it increased slightly with the MgO/CaO mass ratio increasing from 0.32 to 0.73.In view of silicate network structure,the density and the degree of polymerization(DOP)of network structure have a consistent trend.The addition of TiO_(2) reduced(Q^(3))^(2)/(Q^(2)) ratio(Q^(2) and Q^(3) represent structural unit with bridge oxygen number of 2 and 3,respectively)and then decreased DOP,which led to the decrease of slag density.The surface tension of CaO-SiO_(2)-TiO_(2)-MgO-Al_(2)O_(3) slags decreased dramatically with the TiO_(2) content increasing from 20wt%to 30wt%.Conversely,it increased with the MgO/CaO mass ratio increasing from 0.32 to 0.73.Furthermore,the iso-surface tension lines were obtained under 1723 K using the Tanaka developed model in view of Butler formula.It may be useful for slag optimization of ultra-high proportion(>80%)or even full vanadium titanomagnetite under BF smelting.
基金Projects(51975006, 51505006) supported by the National Natural Science Foundation of China。
文摘This experiment obtained different laser energy density(LED) by changing SLM molding process parameters.The surface morphology, surface quality, and microstructure of as-fabricated samples were studied. The effects of scanning speed, hatching space, and laser power on surface quality were analyzed, and the optimal LED range for surface quality was determined. The results show that pores and spherical particles appear on the sample’s surface when low LED is applied, while there are lamellar structures on the sides of the samples. Cracks appear on the sample’s surface,and the splash phenomenon increases when a high LED is taken. At the same time, a large amount of unmelted powder adhered to the side of the sample. The surface quality is the best when the LED is 150-170 J/mm^(3). The preferred hatch space is currently 0.05-0.09 mm, the laser power is 200-350 W, and the average surface roughness value is(15.1±3) μm.The average surface hardness reaches HV404±HV3, higher than the forging standard range of HV340-HV395.Increasing the LED within the experiment range can increase the surface hardness, yet an excessively high LED will not further increase the surface hardness. The microstructure is composed of needle-like α’-phases with a length of about 20μm, in a crisscross ‘N’ shape, when the LED is low. The β-phase grain boundary is not obvious, and the secondaryphase volume fraction is high;when the LED is high, the α’-phase of the microstructure is in the form of coarse slats, and the secondary-phase is composed of a small amount of secondary α’-phase, the tertiary α’-phase and the fourth α’-phase disappear, and the volume fraction of the secondary-phase becomes low.
基金Supported by the National Natural Science Foundation of China(21576168,21276163)
文摘The densities and surface tensions of [Bmim][TFO]/H2SO4, [Hmim][TFO]/H2SO4 and [Omim][TFO]/H2SO4 binary mixtures were measured by pycnometer and Wilhelmy plate method respectively. The results show that densities and surface tensions of the mixtures decreased monotonously with increasing temperatures and increasing ionic liquid （IL） molar fraction. IL with longer alkyl side-chain length brings a lower density and a smaller surface tension to the ILs/H2SO4 binary mixtures. The densities and surface tensions of the mixtures are fitted well by Jouyban-Acree （JAM） model and LWW model respectively. Redlich-Kister （R-K）equation and modified Redlich-Kister （R-K） equation describe the excess molar volumes and excess surface tensions of the mixtures well respectively. Adding a small amount of ILs （XIL 〈 0.1 ） into sulfuric acid brings an obvious decrease to the density and the surface tension. The results imply that the densities and surface tensions of IL5/H2SO4 binary mixtures can be modulated by changing the IL dosage or tailoring the IL structure.
文摘This review article commences with a comprehensive historical review of the evolution and application of various density surfaces in atmospheric and oceanic studies. The background provides a basis for the birth of the neutral density idea. Attention is paid to the development of the neutral density surface concept from the nonlinearity of the equation of state of seawater. The definition and properties of neutral density surface are described in detail as developed from the equations of state of seawater and the buoyancy frequency when the squared buoyancy frequency N2 is zero, a neutral state of stability. In order to apply the neutral density surface to intermediate water-mass analysis, this review also describes in detail its practical oceanographic application. The mapping technique is focused for the first time on applying regularly gridded data in this review. It is reviewed how a backbone and ribs framework was designed to flesh out from a reference cast and first mapped the global neutral surfaces in the world’s oceans. Several mapped neutral density surfaces are presented as examples for each world ocean. The water-mass property is analyzed in each ocean at mid-depth. The characteristics of neutral density surfaces are compared with those of potential density surfaces.
文摘Pyrite （FeS2） bulk and （100） surface properties and the oxygen adsorption on the surface were studied by using density functional theory methods. The results show that in the formation of FeS2 （100） surface, there exists a process of electron transfer from Fe dangling bond to S dangling bond. In this situation, surface Fe and S atoms have more ionic properties. Both Fe2+ and S2- have high electrochemistry reduction activity, which is the base for oxygen adsorption. From the viewpoint of adsorption energy, the parallel form oxygen adsorption is in preference. The result also shows that the state of oxygen absorbed on FeS2 surface acts as peroxides rather than O2.
文摘Evaluating the effect of metal surface density on catalytic performance is critical for designing high-activity metal-based catalysts.In this study,a series of ceria(CeCO_(2))-supported Ru catalysts(Ru/CeCO_(2))were prepared to analyze the effect of Ru surface density on the catalytic performance of Ru/CeCO_(2) for ammonia synthesis.For the Ru/CeCO_(2) catalysts with Ru surface densities lower than 0.68 Ru nm^(-2),the Ru layers were in close contact with CeCO_(2),and electrons were transferred directly from the CeCO_(2) defect sites to the Ru species.In such cases,the adsorption of hydrogen species on the Ru sites in the vicinity of 0 atoms was high,leading to a high ammonia synthesis activity and strong hydrogen poisoning.In contrast,the preferential aggregation of Ru species into large particles on top of the Ru overlayer resulted in the coexistence of Ru clusters and particles,for catalysts with a Ru surface density higher than 1.4 Ru nm^(-2),for which Ru particles were isolated from the direct electronic influence of CeCO_(2).Consequently,the Ru-Ceth interactions were weak,and hydrogen poisoning can be significantly alleviated.Overall,electron transfer and hydrogen adsorption synergistically affected the synthesis of ammonia over Ru/CeCO_(2) catalysts,and catalyst samples with a Ru surface density lower than 0.31 Ru nm^(-2) or exactly 2.1 Ru nm^(-2) exhibited high catalytic activity for ammonia synthesis.
文摘Adsorption of CH3O at four sites （top, bridge, hcp, fcc） on Au（111） surface has been investigated by density functional theory method at the generalized gradient approximation level. We have performed calculations on adsorption energies, structures, Mulliken charges and vibrational frequencies of CH3O on Au（111） surface with full-geometry optimization. The predicted results are compared with the available experimental observation. The calculated CH3O adsorption structure and stretching vibrational frequencies agree well with experimental ones, and precise determinations of adsorption sites are carded out. The most favorite adsorption on Au（111） occurs at the bridge site, and O-C axis is tilted to the surface. However, on hollow sites （hcp, fcc） the species is adsorbed in an upright geometry （pseudo-C3v local symmetry）.
基金the Scientific and Technology Foundation of Fuzhou University and the Key Project of Fujian Province (2005HZ01-2-6)
文摘The plane-wave pseudopotential function method, based on density-functional theory, has been used to calculate the adsorption, electronic band structures, orbitals and optical absorption spectrum of [Fe（CN）6]^4- on TiOz anatase（101） surface. Our calculations reveal that the surface-modified anatase system has large adsorption energy and a much narrower band gap. [Fe（CN）6]^4- adsorption on the （101） surface could lead to a large red shift of the anatase optical absorption threshold, which extends into a visible region significantly. The calculated results are in agreement with the experiment and other theoretical studies reasonably. It is very important for the understanding and further development ofphotovoltaic materials that are active under visible light.
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.
文摘In molten phase metallurgical processes,mixing via gas injection has a vital role in obtaining a homogeneous product.The efficiency of mixing depends on operational variables such as gas flow rate and slag height as well as physical properties of the molten phases.A numerical simulation is conducted to study the above parameters in the flow behavior of a bottom-blown bath.The molten metal and the slag are modeled by water and oil,respectively.The numerical results,particularly the mixing time,are validated against experimental data.The results show that mixing time increases as the slag height increases and decreases as the density of the slag material increases.The mixing time decreases with an increase in the density of the primary phase;however,it increases as the surface tension between air and water increases.A case with properties close to a real molten metal is also modeled.The performance of the system is influenced by the momentum rather than the dissipative forces.Thus,the effect of the density of the molten phase on the mixing process is more pronounced compared to the effect of the surface tension between the air and the molten phase.
文摘The bubble's largest pressure method was employed to measure the densities and the surface tensions ofthe NaCl-KCl(equimolar)-ScCl3 system in which the contents of ScCl3 were 10%, 20%, 30% and 40%, respectively.The results show that while temperature increases, the densities and the sufface tensions of the melts will decrease at thesame content of ScCl3; while the content of ScCl3 in the melts increases, the densities of the melts will increase and thesufface tentions of the melts will decrease at the same temperature. The least-square method was used to treat the data,and the regression functions of the densities and the surface tensions with temperature were given. It is known from theresults that the physicochemical properties of the NaCl-KCl (equimolar)-ScCl3 system can meet the requirements ofpreparation of Al-Sc alloys through the molten salt electrolysis.
文摘A neutral density surface is a logical study frame for water-mass mixing since water parcels spread along such a surface without doing work against buoyancy restoring force. Mesoscale eddies are believed to stir and subsequently mix predominantly along such surfaces. Because of the nonlinear nature of the equation of state of seawater, the process of accurately mapping a neutral density surface necessarily involves lateral computation from one conductivity, temperature and depth (CTD) cast to the next in a logical sequence. By contrast, the depth of a potential density surface on any CTD cast is found solely from the data on this cast. The lateral calculation procedure causes a significant inconvenience. In a previous paper by present author published in this journal (You, 2006), the mapping of neutral density surfaces with regularly gridded data such as Levitus data has been introduced. In this note, I present a new method to find the depth of a neutral density surface from a cast without having to specify an integration path in space. An appropriate reference point is required that is on the neutral density surface and thereafter the neutral density surface can be de- termined by using the CTD casts in any order. This method is only approximate and the likely errors can be estimated by plotting a scatter diagram of all the pressures and potential temperatures on the neutral density surfaces. The method assumes that the variations of potential temperature and pressure (with respect to the values at the reference point) on the neutral density surface are proportional. It is important to select the most appropriate reference point in order to approximately satisfy this assumption, and in practice this is found by inspecting the θ-p plot of data on the surface. This may require that the algorithm be used twice. When the straight lines on the θ-p plot, drawn from the reference point to other points on the neutral density surface, enclose an area that is external to the clus- ter of θ-p points of the neutral density surface, errors will occur, and these errors can be quantified from this diagram. Examples showing the use of the method are presented for each of the world’s main oceans.
