A numerical technique of the target-region locating (TRL) solver in conjunction with the wave-front method is presented for the application of the finite element method (FEM) for 3-D electromagnetic computation. F...A numerical technique of the target-region locating (TRL) solver in conjunction with the wave-front method is presented for the application of the finite element method (FEM) for 3-D electromagnetic computation. First, the principle of TRL technique is described. Then, the availability of TRL solver for nonlinear application is particularly discussed demonstrating that this solver can be easily used while still remaining great efficiency. The implementation on how to apply this technique in FEM based on magnetic vector potential (MVP) is also introduced. Finally, a numerical example of 3-D magnetostatic modeling using the TRL solver and FEMLAB is given. It shows that a huge computer resource can be saved by employing the new solver.展开更多
In this paper, we give the most general duality gates, or generalized quantum gates in duality quantum computers. Here we show by explicit construction that a n-bit duality quantum computer with d slits can be simulat...In this paper, we give the most general duality gates, or generalized quantum gates in duality quantum computers. Here we show by explicit construction that a n-bit duality quantum computer with d slits can be simulated perfectly with an ordinary quantum computer with n qubits and one auxiliary qudit. Using this model, we give the most general form of duality gates which is of the form ∑i=0^d-1piUi,and the pi 's are complex numbers with module less or equal to 1 and constrained by|∑iPi|≤1.展开更多
Under the method of density functional theory, the geometry structures, values of energy and population analysis of the combo of crown tetraalanylpeptide (C4-AIa) with ions (Xn) are calculated, based on the founda...Under the method of density functional theory, the geometry structures, values of energy and population analysis of the combo of crown tetraalanylpeptide (C4-AIa) with ions (Xn) are calculated, based on the foundation of former studies. It was found that the coronary structure changed little whether in C4-Ala or C4-Ala-Xn, and the electrons transferred between C4-Ala and Xn at the mean time. There were coordinate bonds between Xn+ and the nitrogen from -NH-, hydrogen bonds between Xa and the hydrogen from -NH-, and they became weaker when the radii of ions turned larger. Besides, the values of the single point bonding energy fluctuated gradually as a shape of saddle, but cations and anions located in opposite directions of the center of coronary structure when reach minimum, respectively.展开更多
Among all the DNA components, extremely redox-active guanine (G) and adenine (A) bases are subject to facile loss of an electron and form cation radicals (G+" and A+') when exposed to irradiation or radical ...Among all the DNA components, extremely redox-active guanine (G) and adenine (A) bases are subject to facile loss of an electron and form cation radicals (G+" and A+') when exposed to irradiation or radical oxidants. The subsequent deprotonation of G+' and A+' can invoke DNA damage or interrupt hole transfer in DNA. However, compared with intensive reports for G+, studies on the deprotonation of A+ are still limited at present. Herein, we investigate the deprotonation behavior of A+. by time-resolved laser flash photolysis. The deprotonation product of A(N6-H)' is observed and the deprotonation rate constant, (2.0±0.1)×10 7 s-1, is obtained at room temperature. Further, the deprotonation rate con- stants of A+. are measured at temperatures varying from 280 K to 300 K, from which the activation energy for the N6-H deprotonation is determined to be (17.1±1.0) kJ/mol by Arrhenius equation. In addition, by incorporating the aqueous solvent effect, we perform density functional theory calculations for A+ deprotonation in free base and in duplex DNA. Together with experimental results, the deprotonation mechanisms of A+ in free base and in duplex DNA are revealed, which are of fundamental importance for understanding the oxidative DNA damage and designing DNA-based electrochemical devices.展开更多
Pd-Rh nanoparticles are known to easily undergo surface restructuring in reactive environment. This study quantifies, with the help of density functional(DFT) calculations and a novel topological approach, atomic orde...Pd-Rh nanoparticles are known to easily undergo surface restructuring in reactive environment. This study quantifies, with the help of density functional(DFT) calculations and a novel topological approach, atomic ordering and surface segregation effects in Pd-Rh particles with compositions 1:3, 1:1 and 3:1 containing up to 201 atoms(ca. 1.7 nm). The obtained data are used to reliably optimise energetically preferred atomic orderings in inaccessible by DFT Pd-Rh particles containing thousands of atoms and exhibiting sizes exceeding 5 nm, which are typical for catalytic metal particles. It is outlined, how segregation effects on the surface arrangement of Pd-Rh nanoalloy catalysts induced by adsorbates can be evaluated in a simple way within the present modelling setup.展开更多
By using a non-perturbative quark propagator with the lowest-dimensional condensate contributions from the QCD vacuum, the non-perturbative egect to K-factor of the Drell-Yan process is numerically investigated for 6^...By using a non-perturbative quark propagator with the lowest-dimensional condensate contributions from the QCD vacuum, the non-perturbative egect to K-factor of the Drell-Yan process is numerically investigated for 6^12C- 6^12C collision at the center-of-mass energy √s- 200 GeV, 630 GeV respectively. Calculated results show that the non-perturbative QCD effect has just a weak influence on K-factor in the two cases.展开更多
With symbolic computation, the Hirota method and Riemann theta function are employed to directly construct the periodic wave solutions for the Hirota-Satsuma equation for shallow water waves and Boiti-Leon-Manna- Pemp...With symbolic computation, the Hirota method and Riemann theta function are employed to directly construct the periodic wave solutions for the Hirota-Satsuma equation for shallow water waves and Boiti-Leon-Manna- Pempinelli equation. Then, the corresponding figures of the periodic wave solutions are given. Fhrthermore, it is shown that the known soliton solutions can be reduced from the periodic wave solutions.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
We investigate the short-time decoherence of a solid-state qubit under Ohmic noise at optimal operation points. The decoherence is analyzed by maximum norm of the deviation density operator. It is shown that at the te...We investigate the short-time decoherence of a solid-state qubit under Ohmic noise at optimal operation points. The decoherence is analyzed by maximum norm of the deviation density operator. It is shown that at the temperature T = 3 mK, the loss of the fidelity due to decoherence is much smaller than the DiVincenzo low decoherence criterion, which means that the mode/may be an optimal candidate of qubit for quantum computation.展开更多
基金Open Funds of State Key Laboratory of MillimeterWaves,China (No. K200401), Outstanding Teaching and ResearchAwards for Young Teachers of Nanjing Normal University (No.1320BL51)
文摘A numerical technique of the target-region locating (TRL) solver in conjunction with the wave-front method is presented for the application of the finite element method (FEM) for 3-D electromagnetic computation. First, the principle of TRL technique is described. Then, the availability of TRL solver for nonlinear application is particularly discussed demonstrating that this solver can be easily used while still remaining great efficiency. The implementation on how to apply this technique in FEM based on magnetic vector potential (MVP) is also introduced. Finally, a numerical example of 3-D magnetostatic modeling using the TRL solver and FEMLAB is given. It shows that a huge computer resource can be saved by employing the new solver.
基金supported by the National Fundamental Research Program Grant Nos.2006CB921106, 2009CB929042National Natural Science Foundation of China under Grant Nos. 10874098, 10775076, and 60433050
文摘In this paper, we give the most general duality gates, or generalized quantum gates in duality quantum computers. Here we show by explicit construction that a n-bit duality quantum computer with d slits can be simulated perfectly with an ordinary quantum computer with n qubits and one auxiliary qudit. Using this model, we give the most general form of duality gates which is of the form ∑i=0^d-1piUi,and the pi 's are complex numbers with module less or equal to 1 and constrained by|∑iPi|≤1.
文摘Under the method of density functional theory, the geometry structures, values of energy and population analysis of the combo of crown tetraalanylpeptide (C4-AIa) with ions (Xn) are calculated, based on the foundation of former studies. It was found that the coronary structure changed little whether in C4-Ala or C4-Ala-Xn, and the electrons transferred between C4-Ala and Xn at the mean time. There were coordinate bonds between Xn+ and the nitrogen from -NH-, hydrogen bonds between Xa and the hydrogen from -NH-, and they became weaker when the radii of ions turned larger. Besides, the values of the single point bonding energy fluctuated gradually as a shape of saddle, but cations and anions located in opposite directions of the center of coronary structure when reach minimum, respectively.
文摘Among all the DNA components, extremely redox-active guanine (G) and adenine (A) bases are subject to facile loss of an electron and form cation radicals (G+" and A+') when exposed to irradiation or radical oxidants. The subsequent deprotonation of G+' and A+' can invoke DNA damage or interrupt hole transfer in DNA. However, compared with intensive reports for G+, studies on the deprotonation of A+ are still limited at present. Herein, we investigate the deprotonation behavior of A+. by time-resolved laser flash photolysis. The deprotonation product of A(N6-H)' is observed and the deprotonation rate constant, (2.0±0.1)×10 7 s-1, is obtained at room temperature. Further, the deprotonation rate con- stants of A+. are measured at temperatures varying from 280 K to 300 K, from which the activation energy for the N6-H deprotonation is determined to be (17.1±1.0) kJ/mol by Arrhenius equation. In addition, by incorporating the aqueous solvent effect, we perform density functional theory calculations for A+ deprotonation in free base and in duplex DNA. Together with experimental results, the deprotonation mechanisms of A+ in free base and in duplex DNA are revealed, which are of fundamental importance for understanding the oxidative DNA damage and designing DNA-based electrochemical devices.
基金financed by the Generalitat de Catalunya via a pre-doctoral grant 2018FI-B-00384the Operational program“Science and Education for Smart Growth”,project BG05M2OP001-2.009-0028 for funding his research stay in the University of Barcelona+2 种基金financial support by the Bulgarian Ministry of Education and Science under the National Research Programme“Low-carbon Energy for the Transportsupport by the Spanish grants PGC2018-093863-B-C22,CTQ2015-64618-RMDM-2017-0767 as well as by the grant 2017SGR13 of the Generalitat de Catalunya
文摘Pd-Rh nanoparticles are known to easily undergo surface restructuring in reactive environment. This study quantifies, with the help of density functional(DFT) calculations and a novel topological approach, atomic ordering and surface segregation effects in Pd-Rh particles with compositions 1:3, 1:1 and 3:1 containing up to 201 atoms(ca. 1.7 nm). The obtained data are used to reliably optimise energetically preferred atomic orderings in inaccessible by DFT Pd-Rh particles containing thousands of atoms and exhibiting sizes exceeding 5 nm, which are typical for catalytic metal particles. It is outlined, how segregation effects on the surface arrangement of Pd-Rh nanoalloy catalysts induced by adsorbates can be evaluated in a simple way within the present modelling setup.
基金The project supported by the Natural Science Foundation of Hebei Province of China under Grant No, A2005000535
文摘By using a non-perturbative quark propagator with the lowest-dimensional condensate contributions from the QCD vacuum, the non-perturbative egect to K-factor of the Drell-Yan process is numerically investigated for 6^12C- 6^12C collision at the center-of-mass energy √s- 200 GeV, 630 GeV respectively. Calculated results show that the non-perturbative QCD effect has just a weak influence on K-factor in the two cases.
基金Supported by the National Natural Science Foundation of China under Grant No.60772023the Open Fund of the State Key Laboratory of Software Development Environment under Grant No.BUAA-SKLSDE-09KF-04+1 种基金Beijing University of Aeronautics and Astronautics,by the National Basic Research Program of China (973 Program) under Grant No.2005CB321901the Specialized Research Fund for the Doctoral Program of Higher Education under Grant Nos.20060006024 and 200800130006,Chinese Ministry of Education
文摘With symbolic computation, the Hirota method and Riemann theta function are employed to directly construct the periodic wave solutions for the Hirota-Satsuma equation for shallow water waves and Boiti-Leon-Manna- Pempinelli equation. Then, the corresponding figures of the periodic wave solutions are given. Fhrthermore, it is shown that the known soliton solutions can be reduced from the periodic wave solutions.
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.
文摘We investigate the short-time decoherence of a solid-state qubit under Ohmic noise at optimal operation points. The decoherence is analyzed by maximum norm of the deviation density operator. It is shown that at the temperature T = 3 mK, the loss of the fidelity due to decoherence is much smaller than the DiVincenzo low decoherence criterion, which means that the mode/may be an optimal candidate of qubit for quantum computation.