Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmeth...Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.展开更多
Advances in quantum computers threaten to break public key cryptosystems such as RSA, ECC, and EIGamal on the hardness of factoring or taking a discrete logarithm, while no quantum algorithms are found to solve certai...Advances in quantum computers threaten to break public key cryptosystems such as RSA, ECC, and EIGamal on the hardness of factoring or taking a discrete logarithm, while no quantum algorithms are found to solve certain mathematical problems on non-commutative algebraic structures until now. In this background, Majid Khan et al.proposed two novel public-key encryption schemes based on large abelian subgroup of general linear group over a residue ring. In this paper we show that the two schemes are not secure. We present that they are vulnerable to a structural attack and that, it only requires polynomial time complexity to retrieve the message from associated public keys respectively. Then we conduct a detailed analysis on attack methods and show corresponding algorithmic description and efficiency analysis respectively. After that, we propose an improvement assisted to enhance Majid Khan's scheme. In addition, we discuss possible lines of future work.展开更多
A new control strategy based on modal energy criterion is proposed to demonstrate the effectiveness of the control system in reducing structural earthquake responses. The modal control algorithm combining LQR(linear q...A new control strategy based on modal energy criterion is proposed to demonstrate the effectiveness of the control system in reducing structural earthquake responses. The modal control algorithm combining LQR(linear quadratic regulator) control algorithm is adopted in the discrete time-history analysis. The various modal energy forms are derived by definition of the generalized absolute displacement vector. A preliminary numerical study of the effectiveness of this control strategy is carried out on a 20-storey framed steel structural model. The controlled performance of the model is studied from the perspectives of both response and modal energy. Results show that the modal energy-based control strategy is very effective in reducing structural responses as well as in consuming a large amount of modal energy,while augmentation of additional generalized control force corresponding to the modes that contain little modal energy is unnecessary,as it does little help to improve the controlled structural performance.展开更多
This paper focuses on document clustering by clustering algorithm based on a DEnsityTree (CABDET) to improve the accuracy of clustering. The CABDET method constructs a density-based treestructure for every potential c...This paper focuses on document clustering by clustering algorithm based on a DEnsityTree (CABDET) to improve the accuracy of clustering. The CABDET method constructs a density-based treestructure for every potential cluster by dynamically adjusting the radius of neighborhood according to local density. It avoids density-based spatial clustering of applications with noise (DBSCAN) ′s global density parameters and reduces input parameters to one. The results of experiment on real document show that CABDET achieves better accuracy of clustering than DBSCAN method. The CABDET algorithm obtains the max F-measure value 0.347 with the root node's radius of neighborhood 0.80, which is higher than 0.332 of DBSCAN with the radius of neighborhood 0.65 and the minimum number of objects 6.展开更多
Investigating the structures and properties of Au-Ge mixed clusters can give insight into the microscopic mechanisms in gold-catalyzed Ge films and can also provide valuable information for the production of germanium...Investigating the structures and properties of Au-Ge mixed clusters can give insight into the microscopic mechanisms in gold-catalyzed Ge films and can also provide valuable information for the production of germanium-based functional materials. In this work, size-selected anion photoelectron spectroscopy and theoretical calculations were used to explore the structural evolution and electronic properties of Au2Gen^-/0 (n=1-8) clusters. It is found that the two Au atoms in Au2Gen^-/0 (n=1-8) showed high coordination numbers and weak aurophilic interactions. The global minima of Au2Gen- anions and Au2Gen neutrals are in spin doublet and singlet states, respectively. Au2Gen- anions and Au2Gen neutrals showed similar structural features, except for Au2Ge4^-/0 and Au2Ge5^-/0. The C2v symmetric V-shaped structure is observed for Au2Ge1^-/0, while Au2Ge2^-/0 has a C2v symmetric dibridged structure. Au2Ge3^-/0 can be viewed as the two Au atoms attached to different Ge-Ge bonds of Ge3 triangle. Au2Ge4- has two Au atoms edge-capping Ge4 tetrahedron, while Au2Ge4 neutral adopts a C2v symmetric double Au atoms face-capping Ge4 rhombus. Au2Ge5-8^-/0 show triangular, tetragonal, and pentagonal prism-based geometries. Au2Ge6 adopts a C2v symmetric tetragonal prism structure and exhibits σ plus π double bonding characters.展开更多
We present a theoretical study of the reaction of the hydroxyl radical with ethene using electronic structure calculations and direct-dynamics simulations. High-accuracy electronic structure calculations at the CCSD(...We present a theoretical study of the reaction of the hydroxyl radical with ethene using electronic structure calculations and direct-dynamics simulations. High-accuracy electronic structure calculations at the CCSD(T)/aug-cc-pVTZ//MP2/aug-ce-pVDZ level have been carried out to characterize the representative regions of the potential energy surface of various reaction pathways, including OH-addition and H-abstraction. These ab initio calculations have been employed to derive an improved set of parameters for the MSINDO semiempirieal Hamiltonian specific to the OH+C2H4 reaction. The specific-reaction-parameter Hamilto- nian captures the ab initio data accurately, and has been used to perform direct quasiclassica] trajectory simulations of the OH+C2H4 reaction at collision energies in the range of 2-10 kcal/mol. The calculated cross sections reveal that the OH-addition reaction domi- nates at all energies over H-abstraction. In addition, the excitation function of addition is reminiscent of a barrierless capture process, while that for abstraction corresponds to an activated one, and these trends can be connected to the transition-state energies of both reactions. We note that the development of an accurate semiempirical Hamiltonian for the OH+C2H4 reaction in this work required the inclusion of empirical dispersion corrections, which will be important in future applications for which long-range intermoleeular attraction becomes significant.展开更多
Granular computing is a very hot research field in recent years. In our previous work an algebraic quotient space model was proposed,where the quotient structure could not be deduced if the granulation was based on an...Granular computing is a very hot research field in recent years. In our previous work an algebraic quotient space model was proposed,where the quotient structure could not be deduced if the granulation was based on an equivalence relation. In this paper,definitions were given and formulas of the lower quotient congruence and upper quotient congruence were calculated to roughly represent the quotient structure. Then the accuracy and roughness were defined to measure the quotient structure in quantification. Finally,a numerical example was given to demonstrate that the rough representation and measuring methods are efficient and applicable. The work has greatly enriched the algebraic quotient space model and granular computing theory.展开更多
Lightweight ubiquitous computing security architecture was presented. Lots of our recent researches have been integrated in this architecture. And the main current researches in the related area have also been absorbe...Lightweight ubiquitous computing security architecture was presented. Lots of our recent researches have been integrated in this architecture. And the main current researches in the related area have also been absorbed. The main attention of this paper was providing a compact and realizable method to apply ubiquitous computing into our daily lives under sufficient secure guarantee. At last,the personal intelligent assistant system was presented to show that this architecture was a suitable and realizable security mechanism in solving the ubiquitous computing problems.展开更多
With the rapid development in cloud data centers and cloud service customers,the demand for high quality cloud service has been grown rapidly.To face this reality,this paper focuses on service optimization issues in c...With the rapid development in cloud data centers and cloud service customers,the demand for high quality cloud service has been grown rapidly.To face this reality,this paper focuses on service optimization issues in cloud computing environment.First,a service-oriented architecture is proposed and programmable network facilities are utilized in it to optimize specific cloud services.Then various cloud services are categorized into two subcategories;static services and dynamic services.Furthermore,the concepts of cloud service quality and cloud resource idle rate are defined,and the aforementioned concepts have also been taken into consideration as parameters in the service optimization algorithm to improve the cloud service quality and optimize system workload simultaneously.Numerical simulations are conducted to verify the effectiveness of the proposed algorithm in balancing the workload of all servers.展开更多
In this paper, the structural parameters, and density of the states of TaB2 compound have been calculated, and investigated in hexagonal phase with P6/mmm space group. The calculations have been performed with ultra-s...In this paper, the structural parameters, and density of the states of TaB2 compound have been calculated, and investigated in hexagonal phase with P6/mmm space group. The calculations have been performed with ultra-soft pseudo-potential in the frame work of Density Functional Theory (DFT) by using the Quantum Espresso package. With respect to high quantity of bulk modulus, and low quantity of the volume it is being understood that this compound has a very hard structure. The figure of density of states shows that this compound is a kind of metal. The obtained results from this research have good accord with experimental results, and with the same researches.展开更多
A fast motion estimation algorithm for variable block-size using the "line scan and block merge procedure" is proposed for airborne image compression modules.Full hardware implementation via FPGA is discussed in det...A fast motion estimation algorithm for variable block-size using the "line scan and block merge procedure" is proposed for airborne image compression modules.Full hardware implementation via FPGA is discussed in detail.The proposed pipelined architecture based on the line scan algorithm is capable of calculating the required 41 motion vectors of various size blocks supported by H.264 within a 16 × 16 block in parallel.An adaptive rate distortion cost function is used for various size block decision.The motion vectors of adjacent small blocks are merged to predict the motion vectors of larger blocks for reducing computation.Experimental results show that our proposed method has lower computational complexity than full search algorithm with slight quality decrease and little bit rate increase.Due to the high real-time processing speed it can be easily realized in hardware.展开更多
The electronic structure, atomic geometry and energetic properties of ceramic nanomultilayer have been systematically studied with first principles density functional theory calculations based on the generalized gradi...The electronic structure, atomic geometry and energetic properties of ceramic nanomultilayer have been systematically studied with first principles density functional theory calculations based on the generalized gradient approximations. It is found that the interface structure and adhesion, which determine the mechanical and thermal properties, are sensitive to the surface mor- phology. We also provide an analysis of adhesion of ZrO2/A1203 interface as a function of thickness of each layer. With the in- crease of ZrO2 thickness, both covalence and ionicity of the interfacial bonds are enhanced, which results in more strongly coupled interfaces while the ionic interaction decreases for thicker Al2O3 layers, which results in weakly coupled interfaces. A first-principles calculation method has been proposed to design nanomultilayer materials to achieve the demanded adhesion.展开更多
文摘Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.
基金supported in part by the National Natural Science Foundation of China(Grant Nos.61303212,61170080,61202386)the State Key Program of National Natural Science of China(Grant Nos.61332019,U1135004)+2 种基金the Major Research Plan of the National Natural Science Foundation of China(Grant No.91018008)Major State Basic Research Development Program of China(973 Program)(No.2014CB340600)the Hubei Natural Science Foundation of China(Grant Nos.2011CDB453,2014CFB440)
文摘Advances in quantum computers threaten to break public key cryptosystems such as RSA, ECC, and EIGamal on the hardness of factoring or taking a discrete logarithm, while no quantum algorithms are found to solve certain mathematical problems on non-commutative algebraic structures until now. In this background, Majid Khan et al.proposed two novel public-key encryption schemes based on large abelian subgroup of general linear group over a residue ring. In this paper we show that the two schemes are not secure. We present that they are vulnerable to a structural attack and that, it only requires polynomial time complexity to retrieve the message from associated public keys respectively. Then we conduct a detailed analysis on attack methods and show corresponding algorithmic description and efficiency analysis respectively. After that, we propose an improvement assisted to enhance Majid Khan's scheme. In addition, we discuss possible lines of future work.
基金Project (No. G20050452) supported by the Education Bureau of Zhejiang Province, China
文摘A new control strategy based on modal energy criterion is proposed to demonstrate the effectiveness of the control system in reducing structural earthquake responses. The modal control algorithm combining LQR(linear quadratic regulator) control algorithm is adopted in the discrete time-history analysis. The various modal energy forms are derived by definition of the generalized absolute displacement vector. A preliminary numerical study of the effectiveness of this control strategy is carried out on a 20-storey framed steel structural model. The controlled performance of the model is studied from the perspectives of both response and modal energy. Results show that the modal energy-based control strategy is very effective in reducing structural responses as well as in consuming a large amount of modal energy,while augmentation of additional generalized control force corresponding to the modes that contain little modal energy is unnecessary,as it does little help to improve the controlled structural performance.
基金Science and Technology Development Project of Tianjin(No. 06FZRJGX02400)National Natural Science Foundation of China (No.60603027)
文摘This paper focuses on document clustering by clustering algorithm based on a DEnsityTree (CABDET) to improve the accuracy of clustering. The CABDET method constructs a density-based treestructure for every potential cluster by dynamically adjusting the radius of neighborhood according to local density. It avoids density-based spatial clustering of applications with noise (DBSCAN) ′s global density parameters and reduces input parameters to one. The results of experiment on real document show that CABDET achieves better accuracy of clustering than DBSCAN method. The CABDET algorithm obtains the max F-measure value 0.347 with the root node's radius of neighborhood 0.80, which is higher than 0.332 of DBSCAN with the radius of neighborhood 0.65 and the minimum number of objects 6.
基金supported by the National Natural Science Foundation of China (No.21273246 and No.21103202)the Chinese Academy of Sciences (No.QYZDB-SSW-SLH024)+3 种基金the Natural Science Foundation of Shandong Province of China (No.ZR2018BB040)Open Funds of Beijing National Laboratory for Molecular Sciences (No.BNLMS201804)Research Start-up Funds (Doctoral Science Foundation) of Heze University (No.XY18BS02)Chinese Academy of Sciences President’s International Fellowship Initiative (PIFI) (No.2018VMA0011)
文摘Investigating the structures and properties of Au-Ge mixed clusters can give insight into the microscopic mechanisms in gold-catalyzed Ge films and can also provide valuable information for the production of germanium-based functional materials. In this work, size-selected anion photoelectron spectroscopy and theoretical calculations were used to explore the structural evolution and electronic properties of Au2Gen^-/0 (n=1-8) clusters. It is found that the two Au atoms in Au2Gen^-/0 (n=1-8) showed high coordination numbers and weak aurophilic interactions. The global minima of Au2Gen- anions and Au2Gen neutrals are in spin doublet and singlet states, respectively. Au2Gen- anions and Au2Gen neutrals showed similar structural features, except for Au2Ge4^-/0 and Au2Ge5^-/0. The C2v symmetric V-shaped structure is observed for Au2Ge1^-/0, while Au2Ge2^-/0 has a C2v symmetric dibridged structure. Au2Ge3^-/0 can be viewed as the two Au atoms attached to different Ge-Ge bonds of Ge3 triangle. Au2Ge4- has two Au atoms edge-capping Ge4 tetrahedron, while Au2Ge4 neutral adopts a C2v symmetric double Au atoms face-capping Ge4 rhombus. Au2Ge5-8^-/0 show triangular, tetragonal, and pentagonal prism-based geometries. Au2Ge6 adopts a C2v symmetric tetragonal prism structure and exhibits σ plus π double bonding characters.
文摘We present a theoretical study of the reaction of the hydroxyl radical with ethene using electronic structure calculations and direct-dynamics simulations. High-accuracy electronic structure calculations at the CCSD(T)/aug-cc-pVTZ//MP2/aug-ce-pVDZ level have been carried out to characterize the representative regions of the potential energy surface of various reaction pathways, including OH-addition and H-abstraction. These ab initio calculations have been employed to derive an improved set of parameters for the MSINDO semiempirieal Hamiltonian specific to the OH+C2H4 reaction. The specific-reaction-parameter Hamilto- nian captures the ab initio data accurately, and has been used to perform direct quasiclassica] trajectory simulations of the OH+C2H4 reaction at collision energies in the range of 2-10 kcal/mol. The calculated cross sections reveal that the OH-addition reaction domi- nates at all energies over H-abstraction. In addition, the excitation function of addition is reminiscent of a barrierless capture process, while that for abstraction corresponds to an activated one, and these trends can be connected to the transition-state energies of both reactions. We note that the development of an accurate semiempirical Hamiltonian for the OH+C2H4 reaction in this work required the inclusion of empirical dispersion corrections, which will be important in future applications for which long-range intermoleeular attraction becomes significant.
基金Supported by the National Natural Science Foundation of China(No.61772031)the Special Energy Saving Foundation of Changsha,Hunan Province in 2017
文摘Granular computing is a very hot research field in recent years. In our previous work an algebraic quotient space model was proposed,where the quotient structure could not be deduced if the granulation was based on an equivalence relation. In this paper,definitions were given and formulas of the lower quotient congruence and upper quotient congruence were calculated to roughly represent the quotient structure. Then the accuracy and roughness were defined to measure the quotient structure in quantification. Finally,a numerical example was given to demonstrate that the rough representation and measuring methods are efficient and applicable. The work has greatly enriched the algebraic quotient space model and granular computing theory.
基金Key Project of Chinese Ministry of Education (No.104086)
文摘Lightweight ubiquitous computing security architecture was presented. Lots of our recent researches have been integrated in this architecture. And the main current researches in the related area have also been absorbed. The main attention of this paper was providing a compact and realizable method to apply ubiquitous computing into our daily lives under sufficient secure guarantee. At last,the personal intelligent assistant system was presented to show that this architecture was a suitable and realizable security mechanism in solving the ubiquitous computing problems.
基金Supported by the National Natural Science Foundation of China(No.61272508,61472033,61202432)
文摘With the rapid development in cloud data centers and cloud service customers,the demand for high quality cloud service has been grown rapidly.To face this reality,this paper focuses on service optimization issues in cloud computing environment.First,a service-oriented architecture is proposed and programmable network facilities are utilized in it to optimize specific cloud services.Then various cloud services are categorized into two subcategories;static services and dynamic services.Furthermore,the concepts of cloud service quality and cloud resource idle rate are defined,and the aforementioned concepts have also been taken into consideration as parameters in the service optimization algorithm to improve the cloud service quality and optimize system workload simultaneously.Numerical simulations are conducted to verify the effectiveness of the proposed algorithm in balancing the workload of all servers.
文摘In this paper, the structural parameters, and density of the states of TaB2 compound have been calculated, and investigated in hexagonal phase with P6/mmm space group. The calculations have been performed with ultra-soft pseudo-potential in the frame work of Density Functional Theory (DFT) by using the Quantum Espresso package. With respect to high quantity of bulk modulus, and low quantity of the volume it is being understood that this compound has a very hard structure. The figure of density of states shows that this compound is a kind of metal. The obtained results from this research have good accord with experimental results, and with the same researches.
基金Supported by the Aviation Science Fund of China(2009ZC15001)
文摘A fast motion estimation algorithm for variable block-size using the "line scan and block merge procedure" is proposed for airborne image compression modules.Full hardware implementation via FPGA is discussed in detail.The proposed pipelined architecture based on the line scan algorithm is capable of calculating the required 41 motion vectors of various size blocks supported by H.264 within a 16 × 16 block in parallel.An adaptive rate distortion cost function is used for various size block decision.The motion vectors of adjacent small blocks are merged to predict the motion vectors of larger blocks for reducing computation.Experimental results show that our proposed method has lower computational complexity than full search algorithm with slight quality decrease and little bit rate increase.Due to the high real-time processing speed it can be easily realized in hardware.
文摘The electronic structure, atomic geometry and energetic properties of ceramic nanomultilayer have been systematically studied with first principles density functional theory calculations based on the generalized gradient approximations. It is found that the interface structure and adhesion, which determine the mechanical and thermal properties, are sensitive to the surface mor- phology. We also provide an analysis of adhesion of ZrO2/A1203 interface as a function of thickness of each layer. With the in- crease of ZrO2 thickness, both covalence and ionicity of the interfacial bonds are enhanced, which results in more strongly coupled interfaces while the ionic interaction decreases for thicker Al2O3 layers, which results in weakly coupled interfaces. A first-principles calculation method has been proposed to design nanomultilayer materials to achieve the demanded adhesion.