The high order compact d if ference method is developed for solving the perturbation equations based on Navi er Stokes equations, and is used in studying complex evolution processes from w all negative pulse to the ...The high order compact d if ference method is developed for solving the perturbation equations based on Navi er Stokes equations, and is used in studying complex evolution processes from w all negative pulse to the turbulent coherent structure in the channel flow. Th is method contains three dimensional coupling difference scheme with high accur acy and high resolution, and the high order time splitting methods. Compared with the general spectral method, the method can be used to research turbule nt coherent structure under more general boundary conditions and in flow domains . In this paper, the generation and evolution of the turbulent coherent structur es ind uced by wall pulse in the channel flow are simulated, and the basic characterist ics and rules of the turbulent coherent structure are shown. Computational r esults indicate that a wall negative pulse is more convenient than the resonant three wave model.展开更多
The nature and origin of a fundamental quantum QSPR （QQSPR） equation are discussed. In principle, as any molecular structure can be associated to quantum mechanical density functions （DF）, a molecular set can be r...The nature and origin of a fundamental quantum QSPR （QQSPR） equation are discussed. In principle, as any molecular structure can be associated to quantum mechanical density functions （DF）, a molecular set can be reconstructed as a quantum multimolecular polyhedron （QMP）, whose vertices are formed by each molecular DF. According to QQSPR theory, complicated kinds of molecular properties, like biological activity or toxicity, of molecular sets can be calculated via the quantum expectation value of an approximate Hermitian operator, which can be evaluated with the geometrical information contained in the attached QMP via quantum similarity matrices. Practical ways of solving the QQSPR problem from the point of view of QMP geometrical structure are provided. Such a development results into a powerful algorithm, which can be implemented within molecular design as an alternative to the current classical QSPR procedures.展开更多
Soil aggregation and organic matter of soils from the pre-Pyrenean range in Catalonia (NE Spain) were studied,in order to assess their quality as carbon sinks and also to select the best soil management practices to p...Soil aggregation and organic matter of soils from the pre-Pyrenean range in Catalonia (NE Spain) were studied,in order to assess their quality as carbon sinks and also to select the best soil management practices to preserve their quality.Aggregate stability,organic carbon and micromorphology were investigated.The highest amount of organic carbon was found in alluvial,deep soils (228 Mg C ha -1 ),and the lowest was in a shallow,stony soil with a low plant cover (78 Mg C ha -1 ).Subsurface horizons of degraded soils under pastures were the ones with smaller and less-stable aggregates.Fresh residues of organic matter (OM) were found mostly in interaggregate spaces.Within the aggregates there were some organic remains that were beginning to decompose,and also impregnative nodules of amorphous OM.Although OM was evenly distributed among the aggregate fractions,the larger blocky peds had more specific surface,contained less decomposed OM and had a lower organic/mineral interphase than smaller crumb aggregates,which were also more stable.Soil carbon storage was affected primarily by the OM inputs in the surface horizons.In order to store organic carbon over the mid- and long-term periods,the mechanisms favouring structuration through biological activity and creating small aggregates with intrapedal stable microporosities seemed to be the most effective.展开更多
文摘The high order compact d if ference method is developed for solving the perturbation equations based on Navi er Stokes equations, and is used in studying complex evolution processes from w all negative pulse to the turbulent coherent structure in the channel flow. Th is method contains three dimensional coupling difference scheme with high accur acy and high resolution, and the high order time splitting methods. Compared with the general spectral method, the method can be used to research turbule nt coherent structure under more general boundary conditions and in flow domains . In this paper, the generation and evolution of the turbulent coherent structur es ind uced by wall pulse in the channel flow are simulated, and the basic characterist ics and rules of the turbulent coherent structure are shown. Computational r esults indicate that a wall negative pulse is more convenient than the resonant three wave model.
文摘The nature and origin of a fundamental quantum QSPR （QQSPR） equation are discussed. In principle, as any molecular structure can be associated to quantum mechanical density functions （DF）, a molecular set can be reconstructed as a quantum multimolecular polyhedron （QMP）, whose vertices are formed by each molecular DF. According to QQSPR theory, complicated kinds of molecular properties, like biological activity or toxicity, of molecular sets can be calculated via the quantum expectation value of an approximate Hermitian operator, which can be evaluated with the geometrical information contained in the attached QMP via quantum similarity matrices. Practical ways of solving the QQSPR problem from the point of view of QMP geometrical structure are provided. Such a development results into a powerful algorithm, which can be implemented within molecular design as an alternative to the current classical QSPR procedures.
基金Supported by the Ministry of Education and Science of Spain (No. SUM2006-00029-C02)
文摘Soil aggregation and organic matter of soils from the pre-Pyrenean range in Catalonia (NE Spain) were studied,in order to assess their quality as carbon sinks and also to select the best soil management practices to preserve their quality.Aggregate stability,organic carbon and micromorphology were investigated.The highest amount of organic carbon was found in alluvial,deep soils (228 Mg C ha -1 ),and the lowest was in a shallow,stony soil with a low plant cover (78 Mg C ha -1 ).Subsurface horizons of degraded soils under pastures were the ones with smaller and less-stable aggregates.Fresh residues of organic matter (OM) were found mostly in interaggregate spaces.Within the aggregates there were some organic remains that were beginning to decompose,and also impregnative nodules of amorphous OM.Although OM was evenly distributed among the aggregate fractions,the larger blocky peds had more specific surface,contained less decomposed OM and had a lower organic/mineral interphase than smaller crumb aggregates,which were also more stable.Soil carbon storage was affected primarily by the OM inputs in the surface horizons.In order to store organic carbon over the mid- and long-term periods,the mechanisms favouring structuration through biological activity and creating small aggregates with intrapedal stable microporosities seemed to be the most effective.
