The objective of this tutorial is to present the fundamental theory of Karp, Miller and Winograd, whose seminal paper laid the foundations regarding the systematic description of the organization of computations in sy...The objective of this tutorial is to present the fundamental theory of Karp, Miller and Winograd, whose seminal paper laid the foundations regarding the systematic description of the organization of computations in systems of uniform recurrent equations by means of graph structures, via the definition of computability conditions and techniques for the construction of one-dimensional and multi-dimensional scheduling functions. Besides the description of this theory, the paper presents improvements and revisions made by other authors and furthermore, points out the differences regarding the conditions of causality and dependency between the general case of systems of recurrent equations and the special case of multiple nested loops.展开更多
Electrochemical NO_(2)~--to-NH_(3) conversion(NO_(2)RR) offers a green route to NH_(3) electrosynthesis, while developing efficient NO_(2)RR catalysis systems at high current densities remains a grand challenge. Herei...Electrochemical NO_(2)~--to-NH_(3) conversion(NO_(2)RR) offers a green route to NH_(3) electrosynthesis, while developing efficient NO_(2)RR catalysis systems at high current densities remains a grand challenge. Herein, we report an efficient Zr-NiO catalyst with atomically dispersed Zr-dopants incorporated in NiO lattice, delivering the exceptional NO_(2)RR performance with industriallevel current density(>0.2 A cm^(-2)). In situ spectroscopic measurements and theoretical simulations reveal the construction of ZrNi frustrated Lewis acid-base pairs(FLPs) on Zr-Ni O, which can substantially increase the number of absorbed nitrite(NO_(2)~-),promote the activation and protonation of NO_(2)~- and concurrently hamper the H coverage, boosting the activity and selectivity of Zr-NiO towards the NO_(2)RR. Remarkably, Zr-NiO exhibits the exceptional performance in a flow cell with high Faradaic efficiency for NH_(3) of 94.0% and NH_(3)yield rate of 1,394.1 μmol h^(-1)cm^(-2) at an industrial-level current density of 228.2 m A cm^(-2),placing it among the best NO_(2)RR electrocatalysts for NH_(3) production.展开更多
Electrochemical converting NO_(2)^(-)into NH_(3)(NO_(2)RR)holds an enormous prospect to attain efficient NH_(3) electrosynthesis and polluted NO_(2)^(-)mitigation.Herein,we report single-atom Co alloyed Ru(Co_(1)Ru)as...Electrochemical converting NO_(2)^(-)into NH_(3)(NO_(2)RR)holds an enormous prospect to attain efficient NH_(3) electrosynthesis and polluted NO_(2)^(-)mitigation.Herein,we report single-atom Co alloyed Ru(Co_(1)Ru)as an efficient and durable NO_(2)RR catalyst.Extensive experimental and theoretical investigations reveal that single-atom Co alloying of Ru enables the construction of Co_(1)-Ru heteronuclear active sites to synergistically promote NO_(2)^(-)activation/hydrogenation while suppressing the competitive H_(2) evolution,rendering the greatly enhanced activity and selectivity of Co_(1)Ru towards the NO_(2)RR.Consequently,Co_(1)Ru assembled within a flow cell exhibits an impressive NH_(3) yield rate of 2379.2μmol·h^(-1)·cm^(-2) with an NH_(3)-Faradaic efficiency of 92%at a high current density of 415.9 mA·cm^(-2),which is among the highest NO_(2)RR performances reported to date.展开更多
The co-catalysis between single atom catalyst(SAC)and its support has recently emerged as a promising strategy to synergistically boost the catalytic activity of some complex electrochemical reactions,encompassing mul...The co-catalysis between single atom catalyst(SAC)and its support has recently emerged as a promising strategy to synergistically boost the catalytic activity of some complex electrochemical reactions,encompassing multiple intermediates and pathways.Herein,we utilized defective BC_(3)monolayer-supported SACs as a prototype to investigate the cooperative effects of SACs and their support on the catalytic performance of the nitrogen reduction reaction(NRR)for ammonia(NH_(3))production.The results showed that these SACs can be firmly stabilized on these defective BC_(3)supports with high stability against aggregation.Furthermore,co-activation of the inert N_(2)reactant was observed in certain embedded SACs and their neighboring B atoms on certain BC3 sheets due to the noticeable charge transfer and significant N–N bond elongation.Our high-throughput screening revealed that the Mo/DV_(CC)and W/DV_(CC)exhibit superior NRR catalytic performance,characterized by a low limiting potential of−0.33 and−0.43 V,respectively,which can be further increased under acid conditions based on the constant potential method.Moreover,varying NRR catalytic activities can be attributed to the differences in the valence state of active sites.Remarkably,further microkinetic modeling analysis displayed that the turnover frequency of N_(2)–to–NH_(3)conversion on Mo/DV_(CC)is as large as 1.20×10^(−3)s^(−1)site^(−1) at 700 K and 100 bar,thus guaranteeing its ultra-fast reaction rate.Our results not only suggest promising advanced electrocatalysts for NRR but also offer an effective avenue to regulate the electrocatalytic performance via the co-catalytic metal–support interactions.展开更多
NASICON (Na superionic conductor)-type cathode materials for sodium-ion batteries (SIBs) have attractedextensive attention due to their mechanically robust three-dimensional (3D) framework, which has sufficient opench...NASICON (Na superionic conductor)-type cathode materials for sodium-ion batteries (SIBs) have attractedextensive attention due to their mechanically robust three-dimensional (3D) framework, which has sufficient openchannels for fast Na^(+) transportation. However, they usually suffer from inferior electronic conductivity and lowcapacity, which severely limit their practical applications. To solve these issues, we need to deeply understand thestructural evolution, redox mechanisms, and electrode/electrolyte interface reactions during cycling. Recently,rapid developments in synchrotron X-ray techniques, neutron-based resources, magnetic resonance, as well asoptical and electron microscopy have brought numerous opportunities to gain deep insights into the Na-storagebehaviors of NASICON cathodes. In this review, we summarize the detection principles of advanced characterization techniques used with typical NASICON-structured cathode materials for SIBs. The special focus is on bothoperando and ex situ techniques, which help to investigate the relationships among phase, composition, andvalence variations within electrochemical responses. Fresh electrochemical measurements and theoretical computations are also included to reveal the kinetics and energy-storage mechanisms of electrodes upon charge/discharge. Finally, we describe potential new developments in NASICON-cathodes with optimized SIB systems,foreseeing a bright future for them, achievable through the rational application of advanced diagnostic methods.展开更多
A numerical study of ship-to-ship interaction forces is performed using a commercial CFD code,and the results are compared with experimental data and with the results of a panel method analysis.Two ship models have be...A numerical study of ship-to-ship interaction forces is performed using a commercial CFD code,and the results are compared with experimental data and with the results of a panel method analysis.Two ship models have been used in the interaction forces analysis:a tug and a tanker,advancing parallel to each other with different lateral distances and two different values of the fluid depth.Computations are carried out with four different flow models:inviscid and viscous flow with the free surface modeled as a rigid wall and inviscid and viscous flow with the deformable free surface.A fair agreement was obtained with available experimental data and results obtained by panel method.The influence of viscosity in the computations is found to be comparatively weak,while the wavemaking effects may be important,at small magnitude of the horizontal clearance.展开更多
The root multiple signal classification（root-MUSIC） algorithm is one of the most important techniques for direction of arrival（DOA） estimation. Using a uniform linear array（ULA） composed of M sensors, this metho...The root multiple signal classification（root-MUSIC） algorithm is one of the most important techniques for direction of arrival（DOA） estimation. Using a uniform linear array（ULA） composed of M sensors, this method usually estimates L signal DOAs by finding roots that lie closest to the unit circle of a（2M-1）-order polynomial, where L 〈 M. A novel efficient root-MUSIC-based method for direction estimation is presented, in which the order of polynomial is efficiently reduced to 2L. Compared with the unitary root-MUSIC（U-root-MUSIC） approach which involves real-valued computations only in the subspace decomposition stage, both tasks of subspace decomposition and polynomial rooting are implemented with real-valued computations in the new technique,which hence shows a significant efficiency advantage over most state-of-the-art techniques. Numerical simulations are conducted to verify the correctness and efficiency of the new estimator.展开更多
The stability equation of interface of moving two phase jet and the corresponding equation of particle gas disturbance velocity ration are derived by means of the continuum phase coupling model. The stability curve...The stability equation of interface of moving two phase jet and the corresponding equation of particle gas disturbance velocity ration are derived by means of the continuum phase coupling model. The stability curves of interface of moving two phase jet for different particle properties and velocities of jetting device are given out through numerical computation. Further, sevral important conclusions on the effect of particle property and velocity of jetting device on the growth and propagation of disturbance of interface of moving two phase jet are reched on the basis of analyses of the obtained stability curves. These important conclusions can play a guiding role in studying development of moving two phase jet and executing artificial controls over it in practice.展开更多
Superior bifunctional electrocatalysts with ultra-high stability and excellent efficiency are crucial to boost the oxygen evolution reaction(OER) and the hydrogen evolution reduction(HER) in the overall water splittin...Superior bifunctional electrocatalysts with ultra-high stability and excellent efficiency are crucial to boost the oxygen evolution reaction(OER) and the hydrogen evolution reduction(HER) in the overall water splitting(OWS) for the sustainable production of clean fuels. Herein, comprehensive density functional theory(DFT) computations were performed to explore the potential of several single transition metal(TM) atoms anchored on various S-doped black phosphorenes(TM/Snx-BP) for bifunctional OWS electrocatalysis. The results revealed that these candidates display good stability, excellent electrical conductivity, and diverse spin moments. Furthermore, the Rh/S12-BP catalyst was identified as an eligible bifunctional catalyst for OWS process due to the low overpotentials for OER(0.43 V) and HER(0.02 V), in which Rh and its adjacent P atoms were identified as the active sites. Based on the computed Gibbs free energies of OH~*, O~*, OOH~* and H~*, the corresponding volcano plots for OER and HER were established.Interestingly, the spin moments and the charge distribution of the active sites determine the catalytic trends of OER and HER. Our findings not only propose a promising bifunctional catalyst for OWS, but also widen the potential application of BP in electrocatalysis.展开更多
Complicated changes occur inside the steel parts during quenching process. A three dimensional nonlinear mathematical model for quenching process has been established and the numerical simulation on temperature field,...Complicated changes occur inside the steel parts during quenching process. A three dimensional nonlinear mathematical model for quenching process has been established and the numerical simulation on temperature field, microstructure and stress field has been realized. The alternative technique for the formation of high-strength materials has been developed on the basis of intensification of heat transfer at phase transformations. The technology for the achievement of maximum compressive residual stresses on the hard surface is introduced. It has been shown that there is an optimal depth of hard layer providing the maximum compression stresses on the surface. It has also been established that in the surface hard layer additional strengthening (superstrengthening) of the material is observed. The generalized formula for the determination of the time of reaching maximum compressive stresses on the surface has been proposed.展开更多
We investigate the elastic waves excited by an arbitrary plane piezoelectric source on the surface of a multilayered medium. Based on the previous studies, the 2D elastic wavefield in the multilayered medium is extend...We investigate the elastic waves excited by an arbitrary plane piezoelectric source on the surface of a multilayered medium. Based on the previous studies, the 2D elastic wavefield in the multilayered medium is extended to 3D space. The propagator matrix for the 3D wavefield is investigated and the displacement-stress response for the boundary conditions is obtained. The excitation and propagation of the Rayleigh and Love waves are analysed further. It is found that the propagation velocity of the Rayleigh and Love waves does not depend on the propagation azimuth θ in the plane parallel to the free surface of the multilayered medium while the displacement is strongly dependent on the azimuth θ.展开更多
Proximity detection is an emerging technology in Geo-Social Networks that notifies mobile users when they are in proximity. Nevertheless, users may be unwilling to participate in such applications if they are required...Proximity detection is an emerging technology in Geo-Social Networks that notifies mobile users when they are in proximity. Nevertheless, users may be unwilling to participate in such applications if they are required to disclose their exact locations to a centralized server and/or their social friends. To this end, private proximity detection protocols allow any two parties to test for proximity while maintaining their locations secret. In particular, a private proximity detection query returns only a boolean result to the querier and, in addition, it guarantees that no party can derive any information regarding the other party＇s location. However, most of the existing protocols rely on simple grid decompositions of the space and assume that two users are in proximity when they are located inside the same grid cell. In this paper, we extend the notion of private proximity detection, and propose a novel approach that allows a mobile user to define an arbitrary convex polygon on the map and test whether his friends are located therein. Our solution employs a secure two-party computation protocol and is provably secure. We implemented our method on handheld devices and illustrate its efficiency in terms of both computational and communication costs.展开更多
An analytic method is proposed to calculate the formation enthalpy directly from empirical n-body potential and applied to the binary and ternary systems consisting of the refractory metals Mo, Nb, Ta and W. It turns ...An analytic method is proposed to calculate the formation enthalpy directly from empirical n-body potential and applied to the binary and ternary systems consisting of the refractory metals Mo, Nb, Ta and W. It turns out that the calculated enthalpies are in overall agreement with experimental observations and some other theoretical calculations. Interestingly, it shows that the formation enthalpies of the ternary systems are significantly affected by those of the constituent binary systems.展开更多
Finite difference method is an important methodology in the approximation of waves.In this paper,we will study two implicit finite difference schemes for the simulation of waves.They are the weighted alternating direc...Finite difference method is an important methodology in the approximation of waves.In this paper,we will study two implicit finite difference schemes for the simulation of waves.They are the weighted alternating direction implicit(ADI)scheme and the locally one-dimensional(LOD)scheme.The approximation errors,stability conditions,and dispersion relations for both schemes are investigated.Our analysis shows that the LOD implicit scheme has less dispersion error than that of the ADI scheme.Moreover,the unconditional stability for both schemes with arbitrary spatial accuracy is established for the first time.In order to improve computational efficiency,numerical algorithms based on message passing interface(MPI)are implemented.Numerical examples of wave propagation in a three-layer model and a standard complex model are presented.Our analysis and comparisons show that both ADI and LOD schemes are able to efficiently and accurately simulate wave propagation in complex media.展开更多
When the magnetic fluid lays in the magnetic field, interaction effects exist between them. Thus, the precise computation is considered as one of the precise methods of analyzing magnetic fluid in the magnetic field.C...When the magnetic fluid lays in the magnetic field, interaction effects exist between them. Thus, the precise computation is considered as one of the precise methods of analyzing magnetic fluid in the magnetic field.Comparing with it, the linear computation will bring more error. The more error exists between the decoupled computation and the linear computation, the more saturation magnetization does on the border. Besides, the value of magnetic flux density is bigger when using the decoupled computation than that of linear computation. What’s more,the equal magnetic flux density linear on the border varies slightly in the strong magnetic field when using the two computations. In a weaker magnetic field, the difference is bigger.展开更多
For detailed study of complex chemical reactions mechanisms experiment is conducted for selected private reactions. This causes a problem of kinetic parameters getting--the same set of rate constants must describe bot...For detailed study of complex chemical reactions mechanisms experiment is conducted for selected private reactions. This causes a problem of kinetic parameters getting--the same set of rate constants must describe both public and private reaction stages, and also a general mechanism. In this paper, solution of this problem for a reaction of olefins hydroalumination is proposed. To optimize the computational process a methodology of parallelization is elaborated. On the base of parallel computations, a kinetic model for the reaction assigned is constructed, and on its base, the physical and chemical conclusions about reaction mechanism are done.展开更多
Using an improved computational fluid dynamics （CFD） method developed for highly unsteady three-dimensional flows, numerical simulations for oscillating flow cycles and detailed unsteady simulations of the flow and ...Using an improved computational fluid dynamics （CFD） method developed for highly unsteady three-dimensional flows, numerical simulations for oscillating flow cycles and detailed unsteady simulations of the flow and forces on the aortic vessels at the iliac bifurcation, for both healthy and diseased patients, are analyzed. Improvements in computational efficiency and acceleration in convergence are achieved by calculating both an unsteady pressure gradient which is due to fluid acceleration and a good global pressure field correction based on mass flow for the pressure Poisson equation. Applications of the enhanced method to oscillatory flow in curved pipes yield an order of magnitude increase in speed and efficiency, thus allowing the study of more complex flow problems such as flow through the mammalian abdominal aorta at the iliac arteries bifurcation. To analyze the large forces which can exist on stent graft of patients with abdominal aor- tic aneurysm （AAA） disease, a complete derivation of the force equations is presented. The accelerated numerical algorithm and the force equations derived are used to calculate flow and forces for two individuals whose geometry is obtained from CT data and whose respective blood pressure measurements are obtained experimentally. Although the use of endovascular stent grafts in diseased patients can alter vessel geometries, the physical characteristics of stents are still very different when compared to native blood vessels of healthy subjects. The geometry for the AAA stent graph patient studied in this investigation induced flows that resulted in large forces that are primarily caused by the blood pressure. These forces are also directly related to the flow cross-sectional area and the angle of the iliac arteries relative to the main descending aorta. Furthermore, the fluid flow is significantly disturbed in the diseased patient with large flow recirculation and stagnant regions which are not present for healthy subjects.展开更多
This document describes the use of grayscale mapping and GIS for identification of historical irrigated lands. Historical irrigated lands form the basis for water rights—a private property right in New Mexico that is...This document describes the use of grayscale mapping and GIS for identification of historical irrigated lands. Historical irrigated lands form the basis for water rights—a private property right in New Mexico that is bought and sold on the open market. Identification of irrigated land on historical photography is both a science and an art. Grayscale mapping of historic black and white photographs can aid in the identification of irrigated lands. GIS allows historical images to be geo-referenced and area computations to be performed on polygons that define the irrigated lands.展开更多
文摘The objective of this tutorial is to present the fundamental theory of Karp, Miller and Winograd, whose seminal paper laid the foundations regarding the systematic description of the organization of computations in systems of uniform recurrent equations by means of graph structures, via the definition of computability conditions and techniques for the construction of one-dimensional and multi-dimensional scheduling functions. Besides the description of this theory, the paper presents improvements and revisions made by other authors and furthermore, points out the differences regarding the conditions of causality and dependency between the general case of systems of recurrent equations and the special case of multiple nested loops.
基金supported by the National Natural Science Foundation of China (52161025)the Natural Science Foundation of Gansu Province (20JR10RA241)。
文摘Electrochemical NO_(2)~--to-NH_(3) conversion(NO_(2)RR) offers a green route to NH_(3) electrosynthesis, while developing efficient NO_(2)RR catalysis systems at high current densities remains a grand challenge. Herein, we report an efficient Zr-NiO catalyst with atomically dispersed Zr-dopants incorporated in NiO lattice, delivering the exceptional NO_(2)RR performance with industriallevel current density(>0.2 A cm^(-2)). In situ spectroscopic measurements and theoretical simulations reveal the construction of ZrNi frustrated Lewis acid-base pairs(FLPs) on Zr-Ni O, which can substantially increase the number of absorbed nitrite(NO_(2)~-),promote the activation and protonation of NO_(2)~- and concurrently hamper the H coverage, boosting the activity and selectivity of Zr-NiO towards the NO_(2)RR. Remarkably, Zr-NiO exhibits the exceptional performance in a flow cell with high Faradaic efficiency for NH_(3) of 94.0% and NH_(3)yield rate of 1,394.1 μmol h^(-1)cm^(-2) at an industrial-level current density of 228.2 m A cm^(-2),placing it among the best NO_(2)RR electrocatalysts for NH_(3) production.
文摘Electrochemical converting NO_(2)^(-)into NH_(3)(NO_(2)RR)holds an enormous prospect to attain efficient NH_(3) electrosynthesis and polluted NO_(2)^(-)mitigation.Herein,we report single-atom Co alloyed Ru(Co_(1)Ru)as an efficient and durable NO_(2)RR catalyst.Extensive experimental and theoretical investigations reveal that single-atom Co alloying of Ru enables the construction of Co_(1)-Ru heteronuclear active sites to synergistically promote NO_(2)^(-)activation/hydrogenation while suppressing the competitive H_(2) evolution,rendering the greatly enhanced activity and selectivity of Co_(1)Ru towards the NO_(2)RR.Consequently,Co_(1)Ru assembled within a flow cell exhibits an impressive NH_(3) yield rate of 2379.2μmol·h^(-1)·cm^(-2) with an NH_(3)-Faradaic efficiency of 92%at a high current density of 415.9 mA·cm^(-2),which is among the highest NO_(2)RR performances reported to date.
基金financially supported in China by the Natural Science Funds for Distinguished Young Scholar of Heilongjiang Province (No. JC2018004)
文摘The co-catalysis between single atom catalyst(SAC)and its support has recently emerged as a promising strategy to synergistically boost the catalytic activity of some complex electrochemical reactions,encompassing multiple intermediates and pathways.Herein,we utilized defective BC_(3)monolayer-supported SACs as a prototype to investigate the cooperative effects of SACs and their support on the catalytic performance of the nitrogen reduction reaction(NRR)for ammonia(NH_(3))production.The results showed that these SACs can be firmly stabilized on these defective BC_(3)supports with high stability against aggregation.Furthermore,co-activation of the inert N_(2)reactant was observed in certain embedded SACs and their neighboring B atoms on certain BC3 sheets due to the noticeable charge transfer and significant N–N bond elongation.Our high-throughput screening revealed that the Mo/DV_(CC)and W/DV_(CC)exhibit superior NRR catalytic performance,characterized by a low limiting potential of−0.33 and−0.43 V,respectively,which can be further increased under acid conditions based on the constant potential method.Moreover,varying NRR catalytic activities can be attributed to the differences in the valence state of active sites.Remarkably,further microkinetic modeling analysis displayed that the turnover frequency of N_(2)–to–NH_(3)conversion on Mo/DV_(CC)is as large as 1.20×10^(−3)s^(−1)site^(−1) at 700 K and 100 bar,thus guaranteeing its ultra-fast reaction rate.Our results not only suggest promising advanced electrocatalysts for NRR but also offer an effective avenue to regulate the electrocatalytic performance via the co-catalytic metal–support interactions.
基金Financial support from the National Natural Science Foundation of China(22075016 and 21805007)Fundamental Research Funds for the Central Universities(FRF-TP-20-020A3)111 Project(B12015 and B170003)is gratefully acknowledged.
文摘NASICON (Na superionic conductor)-type cathode materials for sodium-ion batteries (SIBs) have attractedextensive attention due to their mechanically robust three-dimensional (3D) framework, which has sufficient openchannels for fast Na^(+) transportation. However, they usually suffer from inferior electronic conductivity and lowcapacity, which severely limit their practical applications. To solve these issues, we need to deeply understand thestructural evolution, redox mechanisms, and electrode/electrolyte interface reactions during cycling. Recently,rapid developments in synchrotron X-ray techniques, neutron-based resources, magnetic resonance, as well asoptical and electron microscopy have brought numerous opportunities to gain deep insights into the Na-storagebehaviors of NASICON cathodes. In this review, we summarize the detection principles of advanced characterization techniques used with typical NASICON-structured cathode materials for SIBs. The special focus is on bothoperando and ex situ techniques, which help to investigate the relationships among phase, composition, andvalence variations within electrochemical responses. Fresh electrochemical measurements and theoretical computations are also included to reveal the kinetics and energy-storage mechanisms of electrodes upon charge/discharge. Finally, we describe potential new developments in NASICON-cathodes with optimized SIB systems,foreseeing a bright future for them, achievable through the rational application of advanced diagnostic methods.
基金the project PTDC/EMSTRA/5628/2014 "Maneuvering and moored ships in ports-physical and numerical modeling,"funded by the Portuguese Foundation for Science and Technology(FCT)financed by FCT under contract number SFRH/BD/67070/2009
文摘A numerical study of ship-to-ship interaction forces is performed using a commercial CFD code,and the results are compared with experimental data and with the results of a panel method analysis.Two ship models have been used in the interaction forces analysis:a tug and a tanker,advancing parallel to each other with different lateral distances and two different values of the fluid depth.Computations are carried out with four different flow models:inviscid and viscous flow with the free surface modeled as a rigid wall and inviscid and viscous flow with the deformable free surface.A fair agreement was obtained with available experimental data and results obtained by panel method.The influence of viscosity in the computations is found to be comparatively weak,while the wavemaking effects may be important,at small magnitude of the horizontal clearance.
基金supported by the National Natural Science Foundation of China(61501142)the Shandong Provincial Natural Science Foundation(ZR2014FQ003)+1 种基金the Special Foundation of China Postdoctoral Science(2016T90289)the China Postdoctoral Science Foundation(2015M571414)
文摘The root multiple signal classification（root-MUSIC） algorithm is one of the most important techniques for direction of arrival（DOA） estimation. Using a uniform linear array（ULA） composed of M sensors, this method usually estimates L signal DOAs by finding roots that lie closest to the unit circle of a（2M-1）-order polynomial, where L 〈 M. A novel efficient root-MUSIC-based method for direction estimation is presented, in which the order of polynomial is efficiently reduced to 2L. Compared with the unitary root-MUSIC（U-root-MUSIC） approach which involves real-valued computations only in the subspace decomposition stage, both tasks of subspace decomposition and polynomial rooting are implemented with real-valued computations in the new technique,which hence shows a significant efficiency advantage over most state-of-the-art techniques. Numerical simulations are conducted to verify the correctness and efficiency of the new estimator.
文摘The stability equation of interface of moving two phase jet and the corresponding equation of particle gas disturbance velocity ration are derived by means of the continuum phase coupling model. The stability curves of interface of moving two phase jet for different particle properties and velocities of jetting device are given out through numerical computation. Further, sevral important conclusions on the effect of particle property and velocity of jetting device on the growth and propagation of disturbance of interface of moving two phase jet are reched on the basis of analyses of the obtained stability curves. These important conclusions can play a guiding role in studying development of moving two phase jet and executing artificial controls over it in practice.
基金financially supported by the Natural Science Funds (NSF) for Distinguished Young Scholar of Heilongjiang Province (No. JC2018004)。
文摘Superior bifunctional electrocatalysts with ultra-high stability and excellent efficiency are crucial to boost the oxygen evolution reaction(OER) and the hydrogen evolution reduction(HER) in the overall water splitting(OWS) for the sustainable production of clean fuels. Herein, comprehensive density functional theory(DFT) computations were performed to explore the potential of several single transition metal(TM) atoms anchored on various S-doped black phosphorenes(TM/Snx-BP) for bifunctional OWS electrocatalysis. The results revealed that these candidates display good stability, excellent electrical conductivity, and diverse spin moments. Furthermore, the Rh/S12-BP catalyst was identified as an eligible bifunctional catalyst for OWS process due to the low overpotentials for OER(0.43 V) and HER(0.02 V), in which Rh and its adjacent P atoms were identified as the active sites. Based on the computed Gibbs free energies of OH~*, O~*, OOH~* and H~*, the corresponding volcano plots for OER and HER were established.Interestingly, the spin moments and the charge distribution of the active sites determine the catalytic trends of OER and HER. Our findings not only propose a promising bifunctional catalyst for OWS, but also widen the potential application of BP in electrocatalysis.
文摘Complicated changes occur inside the steel parts during quenching process. A three dimensional nonlinear mathematical model for quenching process has been established and the numerical simulation on temperature field, microstructure and stress field has been realized. The alternative technique for the formation of high-strength materials has been developed on the basis of intensification of heat transfer at phase transformations. The technology for the achievement of maximum compressive residual stresses on the hard surface is introduced. It has been shown that there is an optimal depth of hard layer providing the maximum compression stresses on the surface. It has also been established that in the surface hard layer additional strengthening (superstrengthening) of the material is observed. The generalized formula for the determination of the time of reaching maximum compressive stresses on the surface has been proposed.
基金Supported by the National Natural Science Foundation of China under Grand No 10374098.
文摘We investigate the elastic waves excited by an arbitrary plane piezoelectric source on the surface of a multilayered medium. Based on the previous studies, the 2D elastic wavefield in the multilayered medium is extended to 3D space. The propagator matrix for the 3D wavefield is investigated and the displacement-stress response for the boundary conditions is obtained. The excitation and propagation of the Rayleigh and Love waves are analysed further. It is found that the propagation velocity of the Rayleigh and Love waves does not depend on the propagation azimuth θ in the plane parallel to the free surface of the multilayered medium while the displacement is strongly dependent on the azimuth θ.
基金supported by the National Science Foundation CAREER Award IIS-0845262
文摘Proximity detection is an emerging technology in Geo-Social Networks that notifies mobile users when they are in proximity. Nevertheless, users may be unwilling to participate in such applications if they are required to disclose their exact locations to a centralized server and/or their social friends. To this end, private proximity detection protocols allow any two parties to test for proximity while maintaining their locations secret. In particular, a private proximity detection query returns only a boolean result to the querier and, in addition, it guarantees that no party can derive any information regarding the other party＇s location. However, most of the existing protocols rely on simple grid decompositions of the space and assume that two users are in proximity when they are located inside the same grid cell. In this paper, we extend the notion of private proximity detection, and propose a novel approach that allows a mobile user to define an arbitrary convex polygon on the map and test whether his friends are located therein. Our solution employs a secure two-party computation protocol and is provably secure. We implemented our method on handheld devices and illustrate its efficiency in terms of both computational and communication costs.
基金support from the National Natural Science Foundation of China (Grant Nos. 50531040 and 50871058)the Ministry of Science and Technology of China (Grant No. 2006CB605201), and the Administration of Tsinghua University
文摘An analytic method is proposed to calculate the formation enthalpy directly from empirical n-body potential and applied to the binary and ternary systems consisting of the refractory metals Mo, Nb, Ta and W. It turns out that the calculated enthalpies are in overall agreement with experimental observations and some other theoretical calculations. Interestingly, it shows that the formation enthalpies of the ternary systems are significantly affected by those of the constituent binary systems.
基金supported by the State Key Project(2010CB731505)National Key Foundation Project(10431030)Director Foundation Project of Laboratory of Scientific and Engineering Computing(LSEC).
文摘Finite difference method is an important methodology in the approximation of waves.In this paper,we will study two implicit finite difference schemes for the simulation of waves.They are the weighted alternating direction implicit(ADI)scheme and the locally one-dimensional(LOD)scheme.The approximation errors,stability conditions,and dispersion relations for both schemes are investigated.Our analysis shows that the LOD implicit scheme has less dispersion error than that of the ADI scheme.Moreover,the unconditional stability for both schemes with arbitrary spatial accuracy is established for the first time.In order to improve computational efficiency,numerical algorithms based on message passing interface(MPI)are implemented.Numerical examples of wave propagation in a three-layer model and a standard complex model are presented.Our analysis and comparisons show that both ADI and LOD schemes are able to efficiently and accurately simulate wave propagation in complex media.
基金financially supported by the National Natural Science Foundation of China (Nos. 50707005 and 50977015)the Province Natural Science foundation of Heilongjiang (No. E201156)the Fundamental Research Funds for the Central Universities (Nos. HIT. NSRIF. 201139 and HIT. NSRIF. 201141)
文摘When the magnetic fluid lays in the magnetic field, interaction effects exist between them. Thus, the precise computation is considered as one of the precise methods of analyzing magnetic fluid in the magnetic field.Comparing with it, the linear computation will bring more error. The more error exists between the decoupled computation and the linear computation, the more saturation magnetization does on the border. Besides, the value of magnetic flux density is bigger when using the decoupled computation than that of linear computation. What’s more,the equal magnetic flux density linear on the border varies slightly in the strong magnetic field when using the two computations. In a weaker magnetic field, the difference is bigger.
文摘For detailed study of complex chemical reactions mechanisms experiment is conducted for selected private reactions. This causes a problem of kinetic parameters getting--the same set of rate constants must describe both public and private reaction stages, and also a general mechanism. In this paper, solution of this problem for a reaction of olefins hydroalumination is proposed. To optimize the computational process a methodology of parallelization is elaborated. On the base of parallel computations, a kinetic model for the reaction assigned is constructed, and on its base, the physical and chemical conclusions about reaction mechanism are done.
文摘Using an improved computational fluid dynamics （CFD） method developed for highly unsteady three-dimensional flows, numerical simulations for oscillating flow cycles and detailed unsteady simulations of the flow and forces on the aortic vessels at the iliac bifurcation, for both healthy and diseased patients, are analyzed. Improvements in computational efficiency and acceleration in convergence are achieved by calculating both an unsteady pressure gradient which is due to fluid acceleration and a good global pressure field correction based on mass flow for the pressure Poisson equation. Applications of the enhanced method to oscillatory flow in curved pipes yield an order of magnitude increase in speed and efficiency, thus allowing the study of more complex flow problems such as flow through the mammalian abdominal aorta at the iliac arteries bifurcation. To analyze the large forces which can exist on stent graft of patients with abdominal aor- tic aneurysm （AAA） disease, a complete derivation of the force equations is presented. The accelerated numerical algorithm and the force equations derived are used to calculate flow and forces for two individuals whose geometry is obtained from CT data and whose respective blood pressure measurements are obtained experimentally. Although the use of endovascular stent grafts in diseased patients can alter vessel geometries, the physical characteristics of stents are still very different when compared to native blood vessels of healthy subjects. The geometry for the AAA stent graph patient studied in this investigation induced flows that resulted in large forces that are primarily caused by the blood pressure. These forces are also directly related to the flow cross-sectional area and the angle of the iliac arteries relative to the main descending aorta. Furthermore, the fluid flow is significantly disturbed in the diseased patient with large flow recirculation and stagnant regions which are not present for healthy subjects.
文摘This document describes the use of grayscale mapping and GIS for identification of historical irrigated lands. Historical irrigated lands form the basis for water rights—a private property right in New Mexico that is bought and sold on the open market. Identification of irrigated land on historical photography is both a science and an art. Grayscale mapping of historic black and white photographs can aid in the identification of irrigated lands. GIS allows historical images to be geo-referenced and area computations to be performed on polygons that define the irrigated lands.
