The N-representability conditions on the reduced second-order reduced density matrix (2-RDM), impose restrictions not only in the context of reduced density matrix theory (RDMT), but also on functionals advanced in on...The N-representability conditions on the reduced second-order reduced density matrix (2-RDM), impose restrictions not only in the context of reduced density matrix theory (RDMT), but also on functionals advanced in one-matrix theory such as natural orbital functional theory (NOFT), and on functionals depending on the one-electron density such as those of density functional theory (DFT). We review some aspects of the applications of these N-representability conditions in these theories and present some conclusions.展开更多
Beginning with a 5D homogeneous universe [1], we have provided a plausible explanation of the self-rotation phenomenon of stellar objects previously with illustration of large number of star samples [2], via a 5D-4D p...Beginning with a 5D homogeneous universe [1], we have provided a plausible explanation of the self-rotation phenomenon of stellar objects previously with illustration of large number of star samples [2], via a 5D-4D projection. The origin of such rotation is the balance of the angular momenta of stars and that of positive and negative charged e-trino pairs, within a 3D ⊗1D?void of the stellar object, the existence of which is based on conservation/parity laws in physics if one starts with homogeneous 5D universe. While the in-phase e-trino pairs are proposed to be responsible for the generation of angular momentum, the anti-phase but oppositely charge pairs necessarily produce currents. In the 5D to 4D projection, one space variable in the 5D manifold was compacted to zero in most other 5D theories (including theories of Kaluza-Klein and Einstein [3] [4]). We have demonstrated, using the Fermat’s Last Theorem [5], that for validity of gauge invariance at the 4D-5D boundary, the 4th space variable in the 5D manifold is mapped into two current rings at both magnetic poles as required by Perelman entropy mapping;these loops are the origin of the dipolar magnetic field. One conclusion we draw is that there is no gravitational singularity, and hence no black holes in the universe, a result strongly supported by the recent discovery of many stars with masses well greater than 100 solar mass [6] [7] [8], without trace of phenomena observed (such as strong gamma and X ray emissions), which are supposed to be associated with black holes. We analyze the properties of such loop currents on the 4D-5D boundary, where Maxwell equations are valid. We derive explicit expressions for the dipolar fields over the whole temperature range. We then compare our prediction with measured surface magnetic fields of many stars. Since there is coupling in distribution between the in-phase and anti-phase pairs of e-trinos, the generated mag-netic field is directly related to the angular momentum, leading to the result that the magnetic field can be expressible in terms of only the mechanical variables (mass M, radius R, rotation period P)of a star, as if Maxwell equations are “hidden”. An explanation for the occurrence of this “un-expected result” is provided in Section (7.6). Therefore we provide satisfactory answers to a number of “mysteries” of magnetism in astrophysics such as the “Magnetic Bode’s Relation/Law” [9] and the experimental finding that B-P graph in the log-log plot is linear. Moreover, we have developed a new method for studying the relations among the data (M, R, P) during stellar evolution. Ten groups of stellar objects, effectively over 2000 samples are used in various parts of the analysis. We also explain the emergence of huge magnetic field in very old stars like White Dwarfs in terms of formation of 2D Semion state on stellar surface and release of magnetic flux as magnetic storms upon changing the 2D state back to 3D structure. Moreover, we provide an explanation, on the ground of the 5D theory, for the detection of extremely weak fields in Venus and Mars and the asymmetric distribution of magnetic field on the Martian surface. We predict the equatorial fields B of the newly discovered Trappist-1 star and the 6 nearest planets. The log B?−?log P graph for the 6 planets is linear and they satisfy the Magnetic Bode’s relation. Based on the above analysis, we have discovered several new laws of stellar magnetism, which are summarized in Section (7.6).展开更多
The propagation of shock waves in a cellular bar is systematically studied in the framework of continuum solids by adopting two idealized material models, viz. the dynamic rigid, perfectly plastic, locking （D-R-PP-L...The propagation of shock waves in a cellular bar is systematically studied in the framework of continuum solids by adopting two idealized material models, viz. the dynamic rigid, perfectly plastic, locking （D-R-PP-L） model and the dynamic rigid, linear hardening plastic, locking （D-R-LHP-L） model, both considering the effects of strain-rate on the material properties. The shock wave speed relevant to these two models is derived. Consider the case of a bar made of one of such material with initial length L 0 and initial velocity v i impinging onto a rigid target. The variations of the stress, strain, particle velocity, specific internal energy across the shock wave and the cease distance of shock wave are all determined analytically. In particular the ＂energy conservation condition＂ and the ＂kinematic existence condition＂ as proposed by Tan et al. （2005） is re-examined, showing that the ＂energy conservation condition＂ and the consequent ＂critical velocity＂, i.e. the shock can only be generated and sustained in R-PP-L bars when the impact velocity is above this critical velocity, is incorrect. Instead, with elastic deformation, strain-hardening and strain-rate sensitivity of the cellular materials being considered, it is appropriate to redefine a first and a second critical impact velocity for the existence and propagation of shock waves in cellular solids. Starting from the basic relations for shock wave propagating in D-R-LHP-L cellular materials, a new method for inversely determining the dynamic stress-strain curve for cellular materials is proposed. By using e.g. a combination of Taylor bar and Hopkinson pressure bar impact experimental technique, the dynamic stress-strain curve of aluminum foam could bedetermined. Finally, it is demonstrated that this new formulation of shock theory in this one-dimensional stress state can be generalized to shocks in a one-dimensional strain state, i.e. for the case of plate impact on cellular materials, by simply making proper replacements of the elastic and plastic constants.展开更多
This paper presents an analytical solution for one-dimensional consolidation of soft soil under some common types of cyclic loading such as trapezoidal cyclic loading, based on the assumptions proposed by Davis and Ra...This paper presents an analytical solution for one-dimensional consolidation of soft soil under some common types of cyclic loading such as trapezoidal cyclic loading, based on the assumptions proposed by Davis and Raymond （1965） that the decrease in permeability is proportional to the decrease in compressibility during the consolidation process of the soil and that the distribution of initial effective stress is constant with depth the solution obtained, some diagrams are prepared and the It is verified by the existing analytical solutions in special cases. Using telex ant consolidation behavior is investigated.展开更多
Geometry optimization at the B3LYP/6-31＋＋G＊ level of theory has been undertaken on clusters containing L-Met （L-methionine） or L-Cys （L-cysteine） surrounded by eight water molecules. The comparison of the struc...Geometry optimization at the B3LYP/6-31＋＋G＊ level of theory has been undertaken on clusters containing L-Met （L-methionine） or L-Cys （L-cysteine） surrounded by eight water molecules. The comparison of the structural parameters of L-Met and L-Cys with X-ray experimental values is in good agreement within 4.8%. This result shows that the privileged positions of water molecules and the possible hydrogen bonding network formed around the backbone of both AAs （amino acids） are adequate. Subsequent calculations of the harmonic vibrational modes followed by a post-processing treatment enable us to assign the vibrational modes of L-Met and L-Cys surrounded explicitly by eight water molecules. The frequencies of the assigned modes are in good agreement with available IR （infra red） and Raman values within 5%.展开更多
The present work is to construct the potential energy function of isotopic molecules. The so-called molecular potential energy function is the electronic energy function under Born-Oppenheimer approximation,in which t...The present work is to construct the potential energy function of isotopic molecules. The so-called molecular potential energy function is the electronic energy function under Born-Oppenheimer approximation,in which the nuclear motions(translational,rotational and vibration motions) are not included,therefore,its nuclear vibration motion and isotopic effect need to be considered. Based on group theory and atomic and molecular reactive statics(AMRS),the reasonable dissociation limits of D2O(1A1)are determined,its equilibrium geometry and dissociation energy are calculated by density-functional theory(DFT) B3lyp,and then,using the many-body expansion method the potential energy function of D2O(1A1) is obtained for the first time. The potential contours are drawn,in which it is found that the reactive channel D + OD→D2O has no threshold energy,so it is a free radical reaction. But the reactive channel O + DD→D2O has a saddle point. The study of collision for D2O(1A1) is under way.展开更多
文摘The N-representability conditions on the reduced second-order reduced density matrix (2-RDM), impose restrictions not only in the context of reduced density matrix theory (RDMT), but also on functionals advanced in one-matrix theory such as natural orbital functional theory (NOFT), and on functionals depending on the one-electron density such as those of density functional theory (DFT). We review some aspects of the applications of these N-representability conditions in these theories and present some conclusions.
文摘Beginning with a 5D homogeneous universe [1], we have provided a plausible explanation of the self-rotation phenomenon of stellar objects previously with illustration of large number of star samples [2], via a 5D-4D projection. The origin of such rotation is the balance of the angular momenta of stars and that of positive and negative charged e-trino pairs, within a 3D ⊗1D?void of the stellar object, the existence of which is based on conservation/parity laws in physics if one starts with homogeneous 5D universe. While the in-phase e-trino pairs are proposed to be responsible for the generation of angular momentum, the anti-phase but oppositely charge pairs necessarily produce currents. In the 5D to 4D projection, one space variable in the 5D manifold was compacted to zero in most other 5D theories (including theories of Kaluza-Klein and Einstein [3] [4]). We have demonstrated, using the Fermat’s Last Theorem [5], that for validity of gauge invariance at the 4D-5D boundary, the 4th space variable in the 5D manifold is mapped into two current rings at both magnetic poles as required by Perelman entropy mapping;these loops are the origin of the dipolar magnetic field. One conclusion we draw is that there is no gravitational singularity, and hence no black holes in the universe, a result strongly supported by the recent discovery of many stars with masses well greater than 100 solar mass [6] [7] [8], without trace of phenomena observed (such as strong gamma and X ray emissions), which are supposed to be associated with black holes. We analyze the properties of such loop currents on the 4D-5D boundary, where Maxwell equations are valid. We derive explicit expressions for the dipolar fields over the whole temperature range. We then compare our prediction with measured surface magnetic fields of many stars. Since there is coupling in distribution between the in-phase and anti-phase pairs of e-trinos, the generated mag-netic field is directly related to the angular momentum, leading to the result that the magnetic field can be expressible in terms of only the mechanical variables (mass M, radius R, rotation period P)of a star, as if Maxwell equations are “hidden”. An explanation for the occurrence of this “un-expected result” is provided in Section (7.6). Therefore we provide satisfactory answers to a number of “mysteries” of magnetism in astrophysics such as the “Magnetic Bode’s Relation/Law” [9] and the experimental finding that B-P graph in the log-log plot is linear. Moreover, we have developed a new method for studying the relations among the data (M, R, P) during stellar evolution. Ten groups of stellar objects, effectively over 2000 samples are used in various parts of the analysis. We also explain the emergence of huge magnetic field in very old stars like White Dwarfs in terms of formation of 2D Semion state on stellar surface and release of magnetic flux as magnetic storms upon changing the 2D state back to 3D structure. Moreover, we provide an explanation, on the ground of the 5D theory, for the detection of extremely weak fields in Venus and Mars and the asymmetric distribution of magnetic field on the Martian surface. We predict the equatorial fields B of the newly discovered Trappist-1 star and the 6 nearest planets. The log B?−?log P graph for the 6 planets is linear and they satisfy the Magnetic Bode’s relation. Based on the above analysis, we have discovered several new laws of stellar magnetism, which are summarized in Section (7.6).
基金supported by the National Natural Science Foundation of China (11032001)the K.C.Wong Magna Fund in Ningbo University
文摘The propagation of shock waves in a cellular bar is systematically studied in the framework of continuum solids by adopting two idealized material models, viz. the dynamic rigid, perfectly plastic, locking （D-R-PP-L） model and the dynamic rigid, linear hardening plastic, locking （D-R-LHP-L） model, both considering the effects of strain-rate on the material properties. The shock wave speed relevant to these two models is derived. Consider the case of a bar made of one of such material with initial length L 0 and initial velocity v i impinging onto a rigid target. The variations of the stress, strain, particle velocity, specific internal energy across the shock wave and the cease distance of shock wave are all determined analytically. In particular the ＂energy conservation condition＂ and the ＂kinematic existence condition＂ as proposed by Tan et al. （2005） is re-examined, showing that the ＂energy conservation condition＂ and the consequent ＂critical velocity＂, i.e. the shock can only be generated and sustained in R-PP-L bars when the impact velocity is above this critical velocity, is incorrect. Instead, with elastic deformation, strain-hardening and strain-rate sensitivity of the cellular materials being considered, it is appropriate to redefine a first and a second critical impact velocity for the existence and propagation of shock waves in cellular solids. Starting from the basic relations for shock wave propagating in D-R-LHP-L cellular materials, a new method for inversely determining the dynamic stress-strain curve for cellular materials is proposed. By using e.g. a combination of Taylor bar and Hopkinson pressure bar impact experimental technique, the dynamic stress-strain curve of aluminum foam could bedetermined. Finally, it is demonstrated that this new formulation of shock theory in this one-dimensional stress state can be generalized to shocks in a one-dimensional strain state, i.e. for the case of plate impact on cellular materials, by simply making proper replacements of the elastic and plastic constants.
基金Projects supported by the National Research Foundation for theDoctoral Program of Higher Education of China (No. 20030335027)and the Natural Science Foundation of Zhejiang Province (No.Y104463), China
文摘This paper presents an analytical solution for one-dimensional consolidation of soft soil under some common types of cyclic loading such as trapezoidal cyclic loading, based on the assumptions proposed by Davis and Raymond （1965） that the decrease in permeability is proportional to the decrease in compressibility during the consolidation process of the soil and that the distribution of initial effective stress is constant with depth the solution obtained, some diagrams are prepared and the It is verified by the existing analytical solutions in special cases. Using telex ant consolidation behavior is investigated.
文摘Geometry optimization at the B3LYP/6-31＋＋G＊ level of theory has been undertaken on clusters containing L-Met （L-methionine） or L-Cys （L-cysteine） surrounded by eight water molecules. The comparison of the structural parameters of L-Met and L-Cys with X-ray experimental values is in good agreement within 4.8%. This result shows that the privileged positions of water molecules and the possible hydrogen bonding network formed around the backbone of both AAs （amino acids） are adequate. Subsequent calculations of the harmonic vibrational modes followed by a post-processing treatment enable us to assign the vibrational modes of L-Met and L-Cys surrounded explicitly by eight water molecules. The frequencies of the assigned modes are in good agreement with available IR （infra red） and Raman values within 5%.
基金Supported by the National Natural Science Foundation of China (Grant No. NSAF10676022)
文摘The present work is to construct the potential energy function of isotopic molecules. The so-called molecular potential energy function is the electronic energy function under Born-Oppenheimer approximation,in which the nuclear motions(translational,rotational and vibration motions) are not included,therefore,its nuclear vibration motion and isotopic effect need to be considered. Based on group theory and atomic and molecular reactive statics(AMRS),the reasonable dissociation limits of D2O(1A1)are determined,its equilibrium geometry and dissociation energy are calculated by density-functional theory(DFT) B3lyp,and then,using the many-body expansion method the potential energy function of D2O(1A1) is obtained for the first time. The potential contours are drawn,in which it is found that the reactive channel D + OD→D2O has no threshold energy,so it is a free radical reaction. But the reactive channel O + DD→D2O has a saddle point. The study of collision for D2O(1A1) is under way.
