Complex industrial processes often have multiple operating modes and present time-varying behavior. The data in one mode may follow specific Gaussian or non-Gaussian distributions. In this paper, a numerically efficie...Complex industrial processes often have multiple operating modes and present time-varying behavior. The data in one mode may follow specific Gaussian or non-Gaussian distributions. In this paper, a numerically efficient movingwindow local outlier probability algorithm is proposed, lies key feature is the capability to handle complex data distributions and incursive operating condition changes including slow dynamic variations and instant mode shifts. First, a two-step adaption approach is introduced and some designed updating rules are applied to keep the monitoring model up-to-date. Then, a semi-supervised monitoring strategy is developed with an updating switch rule to deal with mode changes. Based on local probability models, the algorithm has a superior ability in detecting faulty conditions and fast adapting to slow variations and new operating modes. Finally, the utility of the proposed method is demonstrated with a numerical example and a non-isothermal continuous stirred tank reactor.展开更多
The title complex is widely used as an efficient key component of Ziegler-Natta catalyst for stereospecific polymerization of dienes to produce synthetic rubbers. However, the quantitative structure-activity relations...The title complex is widely used as an efficient key component of Ziegler-Natta catalyst for stereospecific polymerization of dienes to produce synthetic rubbers. However, the quantitative structure-activity relationship(QSAR) of this kind of complexes is still not clear mainly due to the difficulties to obtain their geometric molecular structures through laboratory experiments. An alternative solution is the quantum chemistry calculation in which the comformational population shall be determined. In this study, ten conformers of the title complex were obtained with the function of molecular dynamics conformational search in Gabedit 2.4.8, and their geometry optimization and thermodynamics calculation were made with a Sparkle/PM7 approach in MOPAC 2012. Their Gibbs free energies at 1 atm. and 298.15 K were calculated. Population of the conformers was further calculated out according to the theory of Boltzmann distribution, indicating that one of the ten conformers has a dominant population of 77.13%.展开更多
Objective The 2014 Ludian Mw6.1 earthquake in Yunnan occurred in a mountainous area with complex tectonics and topography, which caused serious damage as well as co-seismic landslides of an unusual large scale. Becau...Objective The 2014 Ludian Mw6.1 earthquake in Yunnan occurred in a mountainous area with complex tectonics and topography, which caused serious damage as well as co-seismic landslides of an unusual large scale. Because the suspected seismogenic faults on the surface, distribution of aftershocks and focal mechanism solutions are not consistent, it remains difficult to determine what is the real causal fault or seismogenic structure for this event. Actually, it may imply the complicity of the seismic source at depth. In addition, the distribution of the co- seismic landslides also exhibits some diffusion that is different from general eases, likely associated with the seismic focus structure.展开更多
In the light of multi-continued fraction theories, we make a classification and counting for multi-strict continued fractions, which are corresponding to multi-sequences of multiplicity m and length n. Based on the ab...In the light of multi-continued fraction theories, we make a classification and counting for multi-strict continued fractions, which are corresponding to multi-sequences of multiplicity m and length n. Based on the above counting, we develop an iterative formula for computing fast the linear complexity distribution of multi-sequences. As an application, we obtain the linear complexity distributions and expectations of multi-sequences of any given length n and multiplicity m less than 12 by a personal computer. But only results of m=3 and 4 are given in this paper.展开更多
We introduce a model of redistribution of point radiation defects, their interaction between themselves and redistribution of their simplest complexes(divacancies and diinterstitials) in a multilayer structure. The ...We introduce a model of redistribution of point radiation defects, their interaction between themselves and redistribution of their simplest complexes(divacancies and diinterstitials) in a multilayer structure. The model gives a possibility to describe qualitatively nonmonotonicity of distributions of concentrations of radiation defects on interfaces between layers of the multilayer structure. The nonmonotonicity was recently found experimentally.To take into account the nonmonotonicity we modify recently used in literature model for analysis of distribution of concentration of radiation defects. To analyze the model we used an approach of solution of boundary problems,which could be used without crosslinking of solutions on interfaces between layers of the considered multilayer structures.展开更多
With the support by the National Natural Science Foundation of China and the Chinese Academy of Sciences,the research team led by Prof.Li Junbai(李峻柏)at the CAS Key Lab of Colloid,Interface and Thermodynamics,Instit...With the support by the National Natural Science Foundation of China and the Chinese Academy of Sciences,the research team led by Prof.Li Junbai(李峻柏)at the CAS Key Lab of Colloid,Interface and Thermodynamics,Institute of Chemistry,Chinese Academy of Sciences,revealed the distribution of proteins in the transformation of inorganic/protein hybrid crystals by super-resolution microscopy,which展开更多
基金Supported by the National Natural Science Foundation of China(61374140)Shanghai Postdoctoral Sustentation Fund(12R21412600)+1 种基金the Fundamental Research Funds for the Central Universities(WH1214039)Shanghai Pujiang Program(12PJ1402200)
文摘Complex industrial processes often have multiple operating modes and present time-varying behavior. The data in one mode may follow specific Gaussian or non-Gaussian distributions. In this paper, a numerically efficient movingwindow local outlier probability algorithm is proposed, lies key feature is the capability to handle complex data distributions and incursive operating condition changes including slow dynamic variations and instant mode shifts. First, a two-step adaption approach is introduced and some designed updating rules are applied to keep the monitoring model up-to-date. Then, a semi-supervised monitoring strategy is developed with an updating switch rule to deal with mode changes. Based on local probability models, the algorithm has a superior ability in detecting faulty conditions and fast adapting to slow variations and new operating modes. Finally, the utility of the proposed method is demonstrated with a numerical example and a non-isothermal continuous stirred tank reactor.
基金supported by the National Natural Science Foundation of China(No.21476119)
文摘The title complex is widely used as an efficient key component of Ziegler-Natta catalyst for stereospecific polymerization of dienes to produce synthetic rubbers. However, the quantitative structure-activity relationship(QSAR) of this kind of complexes is still not clear mainly due to the difficulties to obtain their geometric molecular structures through laboratory experiments. An alternative solution is the quantum chemistry calculation in which the comformational population shall be determined. In this study, ten conformers of the title complex were obtained with the function of molecular dynamics conformational search in Gabedit 2.4.8, and their geometry optimization and thermodynamics calculation were made with a Sparkle/PM7 approach in MOPAC 2012. Their Gibbs free energies at 1 atm. and 298.15 K were calculated. Population of the conformers was further calculated out according to the theory of Boltzmann distribution, indicating that one of the ten conformers has a dominant population of 77.13%.
基金supported by the National Natural Science Foundation of China(grant No.41572194)the Institute of Geology,China Earthquake Administration(grant No.IGCEA1604)the National Key Basic Research Program of China(grant No.2013CB733205)
文摘Objective The 2014 Ludian Mw6.1 earthquake in Yunnan occurred in a mountainous area with complex tectonics and topography, which caused serious damage as well as co-seismic landslides of an unusual large scale. Because the suspected seismogenic faults on the surface, distribution of aftershocks and focal mechanism solutions are not consistent, it remains difficult to determine what is the real causal fault or seismogenic structure for this event. Actually, it may imply the complicity of the seismic source at depth. In addition, the distribution of the co- seismic landslides also exhibits some diffusion that is different from general eases, likely associated with the seismic focus structure.
基金the National Natural Science Foundation of China (Grants Nos. 60173016 and 90604011)
文摘In the light of multi-continued fraction theories, we make a classification and counting for multi-strict continued fractions, which are corresponding to multi-sequences of multiplicity m and length n. Based on the above counting, we develop an iterative formula for computing fast the linear complexity distribution of multi-sequences. As an application, we obtain the linear complexity distributions and expectations of multi-sequences of any given length n and multiplicity m less than 12 by a personal computer. But only results of m=3 and 4 are given in this paper.
文摘We introduce a model of redistribution of point radiation defects, their interaction between themselves and redistribution of their simplest complexes(divacancies and diinterstitials) in a multilayer structure. The model gives a possibility to describe qualitatively nonmonotonicity of distributions of concentrations of radiation defects on interfaces between layers of the multilayer structure. The nonmonotonicity was recently found experimentally.To take into account the nonmonotonicity we modify recently used in literature model for analysis of distribution of concentration of radiation defects. To analyze the model we used an approach of solution of boundary problems,which could be used without crosslinking of solutions on interfaces between layers of the considered multilayer structures.
文摘With the support by the National Natural Science Foundation of China and the Chinese Academy of Sciences,the research team led by Prof.Li Junbai(李峻柏)at the CAS Key Lab of Colloid,Interface and Thermodynamics,Institute of Chemistry,Chinese Academy of Sciences,revealed the distribution of proteins in the transformation of inorganic/protein hybrid crystals by super-resolution microscopy,which