分析研究了量子遗传算法(Quantum Genetic A lgorithm-QGA)的原理及其优势,将有指导的群体灾变及多宇宙并行演化策略引入量子遗传算法,改善其收敛性。以理想二阶系统为参考模型,实际系统响应曲线与参考模型响应曲线误差积分为目标函数,...分析研究了量子遗传算法(Quantum Genetic A lgorithm-QGA)的原理及其优势,将有指导的群体灾变及多宇宙并行演化策略引入量子遗传算法,改善其收敛性。以理想二阶系统为参考模型,实际系统响应曲线与参考模型响应曲线误差积分为目标函数,使用量子遗传算法进行发动机PID控制器参数优化并进行了数字仿真。仿真结果表明,量子遗传算法具有较好的全局收敛能力,应用于PID控制器控制参数优化后,控制器的控制效果良好,其在发动机控制系统中有较高的应用价值。展开更多
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfull...Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.展开更多
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
In order to solve discrete multi-objective optimization problems, a non-dominated sorting quantum particle swarm optimization (NSQPSO) based on non-dominated sorting and quantum particle swarm optimization is proposed...In order to solve discrete multi-objective optimization problems, a non-dominated sorting quantum particle swarm optimization (NSQPSO) based on non-dominated sorting and quantum particle swarm optimization is proposed, and the performance of the NSQPSO is evaluated through five classical benchmark functions. The quantum particle swarm optimization (QPSO) applies the quantum computing theory to particle swarm optimization, and thus has the advantages of both quantum computing theory and particle swarm optimization, so it has a faster convergence rate and a more accurate convergence value. Therefore, QPSO is used as the evolutionary method of the proposed NSQPSO. Also NSQPSO is used to solve cognitive radio spectrum allocation problem. The methods to complete spectrum allocation in previous literature only consider one objective, i.e. network utilization or fairness, but the proposed NSQPSO method, can consider both network utilization and fairness simultaneously through obtaining Pareto front solutions. Cognitive radio systems can select one solution from the Pareto front solutions according to the weight of network reward and fairness. If one weight is unit and the other is zero, then it becomes single objective optimization, so the proposed NSQPSO method has a much wider application range. The experimental research results show that the NSQPS can obtain the same non-dominated solutions as exhaustive search but takes much less time in small dimensions; while in large dimensions, where the problem cannot be solved by exhaustive search, the NSQPSO can still solve the problem, which proves the effectiveness of NSQPSO.展开更多
A quantum group signature(QGS) scheme is proposed on the basis of an improved quantum chaotic encryption algorithm using the quantum one-time pad with a chaotic operation string. It involves a small-scale quantum comp...A quantum group signature(QGS) scheme is proposed on the basis of an improved quantum chaotic encryption algorithm using the quantum one-time pad with a chaotic operation string. It involves a small-scale quantum computation network in three phases, i.e. initializing phase, signing phase and verifying phase. In the scheme, a member of the group signs the message on behalf of the group while the receiver verifies the signature's validity with the aid of the trusty group manager who plays a crucial role when a possible dispute arises. Analysis result shows that the signature can neither be forged nor disavowed by any malicious attackers.展开更多
The bulk electronic structure of kaolinite (001) plane was studied with quantum mechanical calculations. The CASTEP parameterization of ultrasoft pseudopotentials without core corrections was used to optimize the stru...The bulk electronic structure of kaolinite (001) plane was studied with quantum mechanical calculations. The CASTEP parameterization of ultrasoft pseudopotentials without core corrections was used to optimize the structure of kaolinite bulk and slab models. The results show that Fermi energy of kaolinite (001) plane is 3.05 eV, and the band gap is 4.52 eV. The partial density of states (PDOS) of kaolinite (001) plane indicates that Al-O and Si-O bonds on the mineral surface are highly polar. The oxygen atoms of hydroxyl groups in surface layer are capable of forming hydrogen bond with the head group of cationic collectors. The properties of dodecylamine (DDA) cation were also calculated by density function theory (DFT) method at B3LYP/6-31G (d) level for illuminating the flotation processes of kaolinite. Besides the electrostatic attraction, the mechanism between kaolinite and DDA is found to be hydrogen bonds under acidic condition.展开更多
The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calcul...The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calculated energy band structures show that the hP24 phase WB3 is metallic material.The density of state(DOS) and the partial density of state(PDOS) calculations show that the DOS near the Fermi level is mainly from the W 5d and B 2p states.Population analysis suggests that the chemical bonding in hP24-WB3 has predominantly covalent characteristics with mixed covalent-ionic characteristics.Basic physical properties,such as lattice constant,bulk modulus,shear modulus and elastic constants Cij were calculated.The elastic modulus E and Poisson ratio υ were also predicted.The results show that hP24-WB3 phase is mechanically stable and behaves in a brittle manner.Detailed analysis of all optical functions reveals that WB3 is a better dielectric material,and reflectivity spectra show that WB3 can be promised as good coating material in the energy regions of 8.5-11.4 eV and 14.5-15.5 eV.展开更多
文摘分析研究了量子遗传算法(Quantum Genetic A lgorithm-QGA)的原理及其优势,将有指导的群体灾变及多宇宙并行演化策略引入量子遗传算法,改善其收敛性。以理想二阶系统为参考模型,实际系统响应曲线与参考模型响应曲线误差积分为目标函数,使用量子遗传算法进行发动机PID控制器参数优化并进行了数字仿真。仿真结果表明,量子遗传算法具有较好的全局收敛能力,应用于PID控制器控制参数优化后,控制器的控制效果良好,其在发动机控制系统中有较高的应用价值。
文摘Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.
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Foundation item： Projects（61102106, 61102105） supported by the National Natural Science Foundation of China Project（2013M530148） supported by China Postdoctoral Science Foundation Project（HEUCF120806） supported by the Fundamental Research Funds for the Central Universities of China
文摘In order to solve discrete multi-objective optimization problems, a non-dominated sorting quantum particle swarm optimization (NSQPSO) based on non-dominated sorting and quantum particle swarm optimization is proposed, and the performance of the NSQPSO is evaluated through five classical benchmark functions. The quantum particle swarm optimization (QPSO) applies the quantum computing theory to particle swarm optimization, and thus has the advantages of both quantum computing theory and particle swarm optimization, so it has a faster convergence rate and a more accurate convergence value. Therefore, QPSO is used as the evolutionary method of the proposed NSQPSO. Also NSQPSO is used to solve cognitive radio spectrum allocation problem. The methods to complete spectrum allocation in previous literature only consider one objective, i.e. network utilization or fairness, but the proposed NSQPSO method, can consider both network utilization and fairness simultaneously through obtaining Pareto front solutions. Cognitive radio systems can select one solution from the Pareto front solutions according to the weight of network reward and fairness. If one weight is unit and the other is zero, then it becomes single objective optimization, so the proposed NSQPSO method has a much wider application range. The experimental research results show that the NSQPS can obtain the same non-dominated solutions as exhaustive search but takes much less time in small dimensions; while in large dimensions, where the problem cannot be solved by exhaustive search, the NSQPSO can still solve the problem, which proves the effectiveness of NSQPSO.
基金Project(61379057)supported by the National Natural Science Foundation of ChinaProject supported by the Construct Program of the Key Discipline in Hunan University of Arts and Science,China+1 种基金Project(2012BS01)supported by Science Technology Research and Development Projects of Changde,ChinaProject supported by Science and the MEST2012-002521,NRF,Korea
文摘A quantum group signature(QGS) scheme is proposed on the basis of an improved quantum chaotic encryption algorithm using the quantum one-time pad with a chaotic operation string. It involves a small-scale quantum computation network in three phases, i.e. initializing phase, signing phase and verifying phase. In the scheme, a member of the group signs the message on behalf of the group while the receiver verifies the signature's validity with the aid of the trusty group manager who plays a crucial role when a possible dispute arises. Analysis result shows that the signature can neither be forged nor disavowed by any malicious attackers.
基金Project(2005CB623701) supported by the Major State Basic Research and Development Program of ChinaProject(50874118) supported by the National Nature Science Foundation of ChinaProject(2007B52) supported by the Foundation for the Author of National Excellent Doctoral Dissertation of China
文摘The bulk electronic structure of kaolinite (001) plane was studied with quantum mechanical calculations. The CASTEP parameterization of ultrasoft pseudopotentials without core corrections was used to optimize the structure of kaolinite bulk and slab models. The results show that Fermi energy of kaolinite (001) plane is 3.05 eV, and the band gap is 4.52 eV. The partial density of states (PDOS) of kaolinite (001) plane indicates that Al-O and Si-O bonds on the mineral surface are highly polar. The oxygen atoms of hydroxyl groups in surface layer are capable of forming hydrogen bond with the head group of cationic collectors. The properties of dodecylamine (DDA) cation were also calculated by density function theory (DFT) method at B3LYP/6-31G (d) level for illuminating the flotation processes of kaolinite. Besides the electrostatic attraction, the mechanism between kaolinite and DDA is found to be hydrogen bonds under acidic condition.
基金Project(11271121)supported by the National Natural Science Foundation of ChinaProject(11JJ2002)supported by the Natural Science Foundation of Hunan Province,China+1 种基金Project(11K038)supported by Key Laboratory of Computational and Stochastic Mathematics of Ministry of Education of ChinaProject(2013GK3130)supported by the Scientific and Technological Plan of Hunan Province,China
文摘The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calculated energy band structures show that the hP24 phase WB3 is metallic material.The density of state(DOS) and the partial density of state(PDOS) calculations show that the DOS near the Fermi level is mainly from the W 5d and B 2p states.Population analysis suggests that the chemical bonding in hP24-WB3 has predominantly covalent characteristics with mixed covalent-ionic characteristics.Basic physical properties,such as lattice constant,bulk modulus,shear modulus and elastic constants Cij were calculated.The elastic modulus E and Poisson ratio υ were also predicted.The results show that hP24-WB3 phase is mechanically stable and behaves in a brittle manner.Detailed analysis of all optical functions reveals that WB3 is a better dielectric material,and reflectivity spectra show that WB3 can be promised as good coating material in the energy regions of 8.5-11.4 eV and 14.5-15.5 eV.
