We investigate the rotating wave approximation applied in the high-spin quantum system driven by a linearly polarized alternating magnetic field in the presence of quadrupole interactions.The conventional way to apply...We investigate the rotating wave approximation applied in the high-spin quantum system driven by a linearly polarized alternating magnetic field in the presence of quadrupole interactions.The conventional way to apply the rotating wave approximation in a driven high-spin system is to assume the dynamics being restricted in the reduced Hilbert space.However,when the driving strength is relatively strong or the driving is off resonant,the leakage from the target resonance subspace cannot be neglected for a multi-level quantum system.We propose the correct formalism to apply the rotating wave approximation in the full Hilbert space by taking this leakage into account.By estimating the operator fidelity of the time propagator,our formalism applied in the full Hilbert space unambiguously manifests great advantages over the conventional method applied in the reduced Hilbert space.展开更多
We study theoretically the ground state energy of a polaron near the interface of a polar-polar semiconductor by considering the Rashba spin-orbit (SO) coupling with the Lee-Low-Pines intermediate coupling method. O...We study theoretically the ground state energy of a polaron near the interface of a polar-polar semiconductor by considering the Rashba spin-orbit (SO) coupling with the Lee-Low-Pines intermediate coupling method. Our numerical results show that the Rashba SO interaction originating from the inversion asymmetry in the heterostructure splits the ground state energy of the polaron. The electron area/density and vector dependence of the ratio of the SO interaction to the total ground state energy or other energy composition are obvious. One can see that even without any external magnetic field, the ground state energy can be split by the Rashba SO interaction, and this split is not a single but a complex one. Since the presents of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the polaron are more stable than electron's.展开更多
The approaches to discrete approximation of Pareto front using multi-objective evolutionary algorithms have the problems of heavy computation burden, long running time and missing Pareto optimal points. In order to ov...The approaches to discrete approximation of Pareto front using multi-objective evolutionary algorithms have the problems of heavy computation burden, long running time and missing Pareto optimal points. In order to overcome these problems, an approach to continuous approximation of Pareto front using geometric support vector regression is presented. The regression model of the small size approximate discrete Pareto front is constructed by geometric support vector regression modeling and is described as the approximate continuous Pareto front. In the process of geometric support vector regression modeling, considering the distribution characteristic of Pareto optimal points, the separable augmented training sample sets are constructed by shifting original training sample points along multiple coordinated axes. Besides, an interactive decision-making(DM)procedure, in which the continuous approximation of Pareto front and decision-making is performed interactively, is designed for improving the accuracy of the preferred Pareto optimal point. The correctness of the continuous approximation of Pareto front is demonstrated with a typical multi-objective optimization problem. In addition,combined with the interactive decision-making procedure, the continuous approximation of Pareto front is applied in the multi-objective optimization for an industrial fed-batch yeast fermentation process. The experimental results show that the generated approximate continuous Pareto front has good accuracy and completeness. Compared with the multi-objective evolutionary algorithm with large size population, a more accurate preferred Pareto optimal point can be obtained from the approximate continuous Pareto front with less computation and shorter running time. The operation strategy corresponding to the final preferred Pareto optimal point generated by the interactive DM procedure can improve the production indexes of the fermentation process effectively.展开更多
An approximate method is presented to investigate the earthquake response of the fluid-single leg (shortened for S. L.) gravity platform-soil interaction system. By assuming a suitable form of the velocity potential o...An approximate method is presented to investigate the earthquake response of the fluid-single leg (shortened for S. L.) gravity platform-soil interaction system. By assuming a suitable form of the velocity potential of the radiation waves and by using the motion equation and the boundary conditions, the unknown coefficients can be obtained. Thereafter the function of frequency for the interaction system may also be obtained. In this paper, the difference of the system dynamic response between rigid foundation is analyzed and the influences of the various foundation geometric dimension and the various water-depth on the hydrodynamic loading and dynamic response of the system is illustrated.展开更多
The equations ofstate of the neutron star matter are calculated in the relativistic mean-field approximation witl different hyperon coupling constants. The properties of neutron stars are studied by solving the Oppenh...The equations ofstate of the neutron star matter are calculated in the relativistic mean-field approximation witl different hyperon coupling constants. The properties of neutron stars are studied by solving the OppenheimerVolkoff equation. It manifests the properties of neutron stars - change explicitly as different hyperon coupling constants are concerned.展开更多
For a long time, it has been generally believed that spin-spin interactions can only exist in a theory where Lorentz symmetry is gauged, and a theory with spin-spin interactions is not perturbatively renormalizable. B...For a long time, it has been generally believed that spin-spin interactions can only exist in a theory where Lorentz symmetry is gauged, and a theory with spin-spin interactions is not perturbatively renormalizable. But this is not true. By studying the motion of a spinning particle in gravitational field, it is found that there exist spin-spin interactions in gauge theory of gravity. Its mechanism is that a spinning particle will generate gravitomagnetic field in space-time, and this gravitomagnetic field will interact with the spin of another particle, which will cause spin-spin interactions. So, spin-spin interactions are transmitted by gravitational field. The form of spin-spin interactions in post Newtonian approximations is deduced. This result can also be deduced from the Papapetrou equation. This kind of interaction will not affect the renormalizability of the theory. The spin-spin interactions will violate the weak equivalence principle, and the violation effects are detectable. An experiment is proposed to detect the effects of the violation of the weak equivalence principle.展开更多
Starting with the many-body SchrSdinger Hamiltonian in R2, we prove that the ground state energy of a two-dimensional interacting Bose gas with the pairwise attractive interaction approaches to the minimum of the Gros...Starting with the many-body SchrSdinger Hamiltonian in R2, we prove that the ground state energy of a two-dimensional interacting Bose gas with the pairwise attractive interaction approaches to the minimum of the Gross-Pitaevskii energy functional in the mean- field regime, as the particle number N → ∞ and however the scattering length → 0. By fixing N|k|, this leads to the mean-field approximation of Bose-Einstein condensates with attractive interactions in R^2.展开更多
The Dirac equation is solved to obtain its approximate bound states for a spin-1/2 particle in the presence of trigonometric Poeschl-Teller (tPT) potential including a Coulomb-like tensor interaction with arbitrary ...The Dirac equation is solved to obtain its approximate bound states for a spin-1/2 particle in the presence of trigonometric Poeschl-Teller (tPT) potential including a Coulomb-like tensor interaction with arbitrary spin-orbit quantum number κ using an approximation scheme to substitute the centrifugal terms κ(κ± i 1)r^-2. In view of spin and pseudo-spin (p-spin) symmetries, the relativistic energy eigenvalues and the corresponding two-component wave functions of a particle moving in the field of attractive and repulsive tPT potentials are obtained using the asymptotic iteration method (AIM). We present numerical results in the absence and presence of tensor coupling A and for various values of spin and p-spin constants and quantum numbers n and κ. The non-relativistic limit is also obtained.展开更多
A modified distorted-wave Born approximation (DWBA) method is used to calculate the triple differential cross sections (TDCSs) in a coplanar asymmetric geometry for the electron impact single ionization of a He (...A modified distorted-wave Born approximation (DWBA) method is used to calculate the triple differential cross sections (TDCSs) in a coplanar asymmetric geometry for the electron impact single ionization of a He (ls2) atom at intermediate and lower energies. The post-collision interaction and the polarization effect in (e, 2e) collisions of helium are considered in the calculations. The polarization potentials from the damping method and density functional theory (DFT) are compared. Theoretical results are compared with the recent experimental data.展开更多
A systematic procedure is proposed for obtaining solutions for soli- tary waves in stratified fluids. The stratification of the fluid is assumed to be expo- nential or linear. Its comparison with existing results for ...A systematic procedure is proposed for obtaining solutions for soli- tary waves in stratified fluids. The stratification of the fluid is assumed to be expo- nential or linear. Its comparison with existing results for an exponentially stratified fluid shows agreement, and it is found that for the odd series of solutions the direc- tion of displacement of the streamlines from their asymptotic levels is reversed when the stratification is changed from exponential to linear. Finally the interaction of solitary waves is considered, and the Korteweg-de Vries equation and the Boussinesq equation are derived. Thus the known solutions of these equations can be rehed upon to provide the answers to the interaction problem.展开更多
The confined longitudinal-optical (LO) phonon and surface-optical (SO) phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is ...The confined longitudinal-optical (LO) phonon and surface-optical (SO) phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is found that there exist two types of SO phonon modes: top SO (TSO) mode and side SO(SSO) mode in a cylindrical quantum annulus. Numerical calculation on CdS annulus system has been performed. Results reveal that the two different solutions of SSO mode distribute mainly at the inner or outer surfaces of the annulus. The dispersion relations and the coupling intensions of phonons in a quantum annulus are compared with those in a cylindrical quantum dot. It is found that the dispersion relations of the two different structures are similar, but the coupling intension of the phonon-electron interaction in quantum annulus is larger than that in quantum dot. The Hamiltonians describing the free phonon modes and their interactions with electrons in the system are also derived.展开更多
The purpose of this work was to examine the interaction of graphene-like nanoclusters with fragments of polymers of the same nature, but somewhat different structure, for example, polyethylene (PE) and polypropylene (...The purpose of this work was to examine the interaction of graphene-like nanoclusters with fragments of polymers of the same nature, but somewhat different structure, for example, polyethylene (PE) and polypropylene (PP) by means of quantum chemistry. By method of density functional theory with the exchange-correlation functional B3LYP, the basis set 6 - 31 G (d, p) and the Grimme’s dispersion correction, the energy values have been calculated of interaction between nanocarbon fragments and oligomers of PE and PP, the most probable structures of their intermolecular complexes being optimized. A graphene-like plane of 40 carbon atoms and 16 atoms of hydrogen was chosen as a model for the surface of the graphene and carbon nanotubes (CNT). In order to take into account the dimensional effect of the surface of the nanotube fragment model on the interaction energy, in addition to the above described, two larger models were used, with the general formula C54H18 and C96N24. It has been found that the interaction energy of nanocarbon fragment with an oligomer of PP is greater, compared with PE, which is consistent with the experimental data on melting temperatures of pure polymers and nanotube-polymer composites. The polymer with a surface of nanocarbon fragment forms an intermolecular complex not bound covalently and retained by intermolecular dispersion forces. Oligomers of polymeric matters and carbon surfaces in formed nanocomplex are placed closer to each other than separate polymeric links between them.展开更多
Accurate description of potential energy curves driven by nonbonded interactions remains a great challenge for pure density functional approximations(DFAs).It is because the Rdecay behavior of dispersion cannot be int...Accurate description of potential energy curves driven by nonbonded interactions remains a great challenge for pure density functional approximations(DFAs).It is because the Rdecay behavior of dispersion cannot be intrinsically captured by the(semi)-local ingredients and the exact-exchange used in the popular hybrid DFAs.Overemphasizing the accuracy on the equilibrium region for the functional construction would likely deteriorate the overall performance on the other regions of potential energy surfaces.In consequence,the empirical dispersion correction becomes the standard component in DFAs to treat the non-bonded interactions.In this Letter,we demonstrate that without the use of empirical dispersion correction,doubly hybrid approximations,in particular two recently proposed rev XYG3 and XYG7 functionals,hold the promise to have a balanced description of non-bonded interactions on the whole potential energy curves for several prototypes ofπ-π,CH/π,and SH/πinteractions.The error of rev XYG3 and XYG7 for non-bonded interactions is around 0.1 kcal/mol,and their potential energy curves almost coincide with the accurate CCSD(T)/CBS curves.展开更多
The Standard Model of Particle Physics treats four fields—the gravitational, electromagnetic, weak and strong fields. These fields are assumed to converge to a single field at the big bang, but the theory has failed ...The Standard Model of Particle Physics treats four fields—the gravitational, electromagnetic, weak and strong fields. These fields are assumed to converge to a single field at the big bang, but the theory has failed to produce this convergence. Our theory proposes<em> one </em>primordial field and analyzes the evolution of this field. The key assumption is that <em>only</em> the primordial field exists—if any change is to occur, it must be based upon self-interaction, as there is nothing other than the field itself to interact with. This can be formalized as the <em>Principle</em> <em>of </em><em>Self-interaction</em> and the consequences explored. I show that this leads to the linearized Einstein field equations and discuss the key ontological implications of the theory.展开更多
An industrial building is a non-classically damped system due to the different damping properties of the primary structure and equipment.The objective of this paper is to quantify the range of applicability of the rea...An industrial building is a non-classically damped system due to the different damping properties of the primary structure and equipment.The objective of this paper is to quantify the range of applicability of the real model superposition approximation method to the seismic response calculation of industrial buildings.The analysis using lumped mass-and-shear spring models indicates that for the equipment-to-structure frequency ratiosγf>1.1 orγf<0.9,the non-classical damping effect is limited,and the real mode superposition approximation method provides accurate estimates.For 0.9<γf<1.1,the system may have a pair of closely spaced frequency modes,and the non-zero off-diagonal damping terms have a non-negligible effect on the damping ratios and mode shape vectors of these modes.For 0.9<γf<1.1 and the equipment-to-structure mass ratiosγm<0.07,the real mode superposition approximation method results in large errors,while the approximation method can provide an accurate estimation for 0.9<γf<1.1 andγm>0.07.Furthermore,extensive parametric analyses are conducted,where both steel structures and reinforced concrete structures with equipment with various damping ratios are considered.Finally,the finite element analysis of a five-story industrial building is adopted to validate the proposed range of applicability.展开更多
Electromechanical carbon nanothermometers are devices that work based on the interactions and relative mo- tions of double-walled carbon nanotubes (DWCNTs). In this paper, the mechanics of carbon nanotubes (CNTs) ...Electromechanical carbon nanothermometers are devices that work based on the interactions and relative mo- tions of double-walled carbon nanotubes (DWCNTs). In this paper, the mechanics of carbon nanotubes (CNTs) con- stituting two welt-known configurations for nanothermome- ter, namely shuttle configuration and telescope configuration are fully investigated. Lennard-Jones (LJ) potential func- tion along with the continuum approximation is employed to investigate van der Waals (vdW) interactions between the in- teracting entities. Accordingly, semi-analytical expressions in terms of single integrals are obtained for vdW interactions. Acceptance condition and suction energy are studied for the shuttle configuration. In addition, a universal potential en- ergy is presented for the shuttle configuration consisting of two finite CNTs. Also, for the telescope configuration, ex- tensive studies are performed on the distributions of potential energy and interaction force for various radii and lengths of CNTs. It is found that these geometrical parameters have a considerable effect on the potential energy.展开更多
基金the National Key Research and Development Program of China(Grant Nos.2017YFA0304202 and 2017YFA0205700)the National Natural Science Foundation of China(Grant Nos.11875231 and 11935012)the Fundamental Research Funds for the Central Universities(Grant No.2018FZA3005).
文摘We investigate the rotating wave approximation applied in the high-spin quantum system driven by a linearly polarized alternating magnetic field in the presence of quadrupole interactions.The conventional way to apply the rotating wave approximation in a driven high-spin system is to assume the dynamics being restricted in the reduced Hilbert space.However,when the driving strength is relatively strong or the driving is off resonant,the leakage from the target resonance subspace cannot be neglected for a multi-level quantum system.We propose the correct formalism to apply the rotating wave approximation in the full Hilbert space by taking this leakage into account.By estimating the operator fidelity of the time propagator,our formalism applied in the full Hilbert space unambiguously manifests great advantages over the conventional method applied in the reduced Hilbert space.
基金The project supported by National Natural Science Foundation of China under Grant No. 10347004.
文摘We study theoretically the ground state energy of a polaron near the interface of a polar-polar semiconductor by considering the Rashba spin-orbit (SO) coupling with the Lee-Low-Pines intermediate coupling method. Our numerical results show that the Rashba SO interaction originating from the inversion asymmetry in the heterostructure splits the ground state energy of the polaron. The electron area/density and vector dependence of the ratio of the SO interaction to the total ground state energy or other energy composition are obvious. One can see that even without any external magnetic field, the ground state energy can be split by the Rashba SO interaction, and this split is not a single but a complex one. Since the presents of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the polaron are more stable than electron's.
基金Supported by the National Natural Science Foundation of China(20676013,61240047)
文摘The approaches to discrete approximation of Pareto front using multi-objective evolutionary algorithms have the problems of heavy computation burden, long running time and missing Pareto optimal points. In order to overcome these problems, an approach to continuous approximation of Pareto front using geometric support vector regression is presented. The regression model of the small size approximate discrete Pareto front is constructed by geometric support vector regression modeling and is described as the approximate continuous Pareto front. In the process of geometric support vector regression modeling, considering the distribution characteristic of Pareto optimal points, the separable augmented training sample sets are constructed by shifting original training sample points along multiple coordinated axes. Besides, an interactive decision-making(DM)procedure, in which the continuous approximation of Pareto front and decision-making is performed interactively, is designed for improving the accuracy of the preferred Pareto optimal point. The correctness of the continuous approximation of Pareto front is demonstrated with a typical multi-objective optimization problem. In addition,combined with the interactive decision-making procedure, the continuous approximation of Pareto front is applied in the multi-objective optimization for an industrial fed-batch yeast fermentation process. The experimental results show that the generated approximate continuous Pareto front has good accuracy and completeness. Compared with the multi-objective evolutionary algorithm with large size population, a more accurate preferred Pareto optimal point can be obtained from the approximate continuous Pareto front with less computation and shorter running time. The operation strategy corresponding to the final preferred Pareto optimal point generated by the interactive DM procedure can improve the production indexes of the fermentation process effectively.
基金This project is financially supported by the National Natural Science Foundation of China
文摘An approximate method is presented to investigate the earthquake response of the fluid-single leg (shortened for S. L.) gravity platform-soil interaction system. By assuming a suitable form of the velocity potential of the radiation waves and by using the motion equation and the boundary conditions, the unknown coefficients can be obtained. Thereafter the function of frequency for the interaction system may also be obtained. In this paper, the difference of the system dynamic response between rigid foundation is analyzed and the influences of the various foundation geometric dimension and the various water-depth on the hydrodynamic loading and dynamic response of the system is illustrated.
文摘The equations ofstate of the neutron star matter are calculated in the relativistic mean-field approximation witl different hyperon coupling constants. The properties of neutron stars are studied by solving the OppenheimerVolkoff equation. It manifests the properties of neutron stars - change explicitly as different hyperon coupling constants are concerned.
文摘For a long time, it has been generally believed that spin-spin interactions can only exist in a theory where Lorentz symmetry is gauged, and a theory with spin-spin interactions is not perturbatively renormalizable. But this is not true. By studying the motion of a spinning particle in gravitational field, it is found that there exist spin-spin interactions in gauge theory of gravity. Its mechanism is that a spinning particle will generate gravitomagnetic field in space-time, and this gravitomagnetic field will interact with the spin of another particle, which will cause spin-spin interactions. So, spin-spin interactions are transmitted by gravitational field. The form of spin-spin interactions in post Newtonian approximations is deduced. This result can also be deduced from the Papapetrou equation. This kind of interaction will not affect the renormalizability of the theory. The spin-spin interactions will violate the weak equivalence principle, and the violation effects are detectable. An experiment is proposed to detect the effects of the violation of the weak equivalence principle.
基金supported by the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry of China,National Center for Mathematics and Interdisciplinary Sciences in China
文摘Starting with the many-body SchrSdinger Hamiltonian in R2, we prove that the ground state energy of a two-dimensional interacting Bose gas with the pairwise attractive interaction approaches to the minimum of the Gross-Pitaevskii energy functional in the mean- field regime, as the particle number N → ∞ and however the scattering length → 0. By fixing N|k|, this leads to the mean-field approximation of Bose-Einstein condensates with attractive interactions in R^2.
文摘The Dirac equation is solved to obtain its approximate bound states for a spin-1/2 particle in the presence of trigonometric Poeschl-Teller (tPT) potential including a Coulomb-like tensor interaction with arbitrary spin-orbit quantum number κ using an approximation scheme to substitute the centrifugal terms κ(κ± i 1)r^-2. In view of spin and pseudo-spin (p-spin) symmetries, the relativistic energy eigenvalues and the corresponding two-component wave functions of a particle moving in the field of attractive and repulsive tPT potentials are obtained using the asymptotic iteration method (AIM). We present numerical results in the absence and presence of tensor coupling A and for various values of spin and p-spin constants and quantum numbers n and κ. The non-relativistic limit is also obtained.
文摘A modified distorted-wave Born approximation (DWBA) method is used to calculate the triple differential cross sections (TDCSs) in a coplanar asymmetric geometry for the electron impact single ionization of a He (ls2) atom at intermediate and lower energies. The post-collision interaction and the polarization effect in (e, 2e) collisions of helium are considered in the calculations. The polarization potentials from the damping method and density functional theory (DFT) are compared. Theoretical results are compared with the recent experimental data.
文摘A systematic procedure is proposed for obtaining solutions for soli- tary waves in stratified fluids. The stratification of the fluid is assumed to be expo- nential or linear. Its comparison with existing results for an exponentially stratified fluid shows agreement, and it is found that for the odd series of solutions the direc- tion of displacement of the streamlines from their asymptotic levels is reversed when the stratification is changed from exponential to linear. Finally the interaction of solitary waves is considered, and the Korteweg-de Vries equation and the Boussinesq equation are derived. Thus the known solutions of these equations can be rehed upon to provide the answers to the interaction problem.
基金the Scientific and Technology Project of Guangzhou Municipal Government under Grant No.2004J1-C0327
文摘The confined longitudinal-optical (LO) phonon and surface-optical (SO) phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is found that there exist two types of SO phonon modes: top SO (TSO) mode and side SO(SSO) mode in a cylindrical quantum annulus. Numerical calculation on CdS annulus system has been performed. Results reveal that the two different solutions of SSO mode distribute mainly at the inner or outer surfaces of the annulus. The dispersion relations and the coupling intensions of phonons in a quantum annulus are compared with those in a cylindrical quantum dot. It is found that the dispersion relations of the two different structures are similar, but the coupling intension of the phonon-electron interaction in quantum annulus is larger than that in quantum dot. The Hamiltonians describing the free phonon modes and their interactions with electrons in the system are also derived.
文摘The purpose of this work was to examine the interaction of graphene-like nanoclusters with fragments of polymers of the same nature, but somewhat different structure, for example, polyethylene (PE) and polypropylene (PP) by means of quantum chemistry. By method of density functional theory with the exchange-correlation functional B3LYP, the basis set 6 - 31 G (d, p) and the Grimme’s dispersion correction, the energy values have been calculated of interaction between nanocarbon fragments and oligomers of PE and PP, the most probable structures of their intermolecular complexes being optimized. A graphene-like plane of 40 carbon atoms and 16 atoms of hydrogen was chosen as a model for the surface of the graphene and carbon nanotubes (CNT). In order to take into account the dimensional effect of the surface of the nanotube fragment model on the interaction energy, in addition to the above described, two larger models were used, with the general formula C54H18 and C96N24. It has been found that the interaction energy of nanocarbon fragment with an oligomer of PP is greater, compared with PE, which is consistent with the experimental data on melting temperatures of pure polymers and nanotube-polymer composites. The polymer with a surface of nanocarbon fragment forms an intermolecular complex not bound covalently and retained by intermolecular dispersion forces. Oligomers of polymeric matters and carbon surfaces in formed nanocomplex are placed closer to each other than separate polymeric links between them.
基金supported by the National Natural Science Foundation of China(No.21973015,No.22125301,No.91427301)the Science Challenge Project(TZ2018004)+1 种基金Innovative Research Team of High-Level Local universities in Shanghaia Key Laboratory Program of the Education Commission of Shanghai Municipality(ZDSYS14005)。
文摘Accurate description of potential energy curves driven by nonbonded interactions remains a great challenge for pure density functional approximations(DFAs).It is because the Rdecay behavior of dispersion cannot be intrinsically captured by the(semi)-local ingredients and the exact-exchange used in the popular hybrid DFAs.Overemphasizing the accuracy on the equilibrium region for the functional construction would likely deteriorate the overall performance on the other regions of potential energy surfaces.In consequence,the empirical dispersion correction becomes the standard component in DFAs to treat the non-bonded interactions.In this Letter,we demonstrate that without the use of empirical dispersion correction,doubly hybrid approximations,in particular two recently proposed rev XYG3 and XYG7 functionals,hold the promise to have a balanced description of non-bonded interactions on the whole potential energy curves for several prototypes ofπ-π,CH/π,and SH/πinteractions.The error of rev XYG3 and XYG7 for non-bonded interactions is around 0.1 kcal/mol,and their potential energy curves almost coincide with the accurate CCSD(T)/CBS curves.
文摘The Standard Model of Particle Physics treats four fields—the gravitational, electromagnetic, weak and strong fields. These fields are assumed to converge to a single field at the big bang, but the theory has failed to produce this convergence. Our theory proposes<em> one </em>primordial field and analyzes the evolution of this field. The key assumption is that <em>only</em> the primordial field exists—if any change is to occur, it must be based upon self-interaction, as there is nothing other than the field itself to interact with. This can be formalized as the <em>Principle</em> <em>of </em><em>Self-interaction</em> and the consequences explored. I show that this leads to the linearized Einstein field equations and discuss the key ontological implications of the theory.
基金Fund of China National Industrial Building Diagnosis and Reconstruction Engineering Technology Research Center under Grant No.YZA2017Ky03the Beijing Natural Science Foundation under Grant No.JQ18029the National Natural Science Foundation of China under Grant No.52078277。
文摘An industrial building is a non-classically damped system due to the different damping properties of the primary structure and equipment.The objective of this paper is to quantify the range of applicability of the real model superposition approximation method to the seismic response calculation of industrial buildings.The analysis using lumped mass-and-shear spring models indicates that for the equipment-to-structure frequency ratiosγf>1.1 orγf<0.9,the non-classical damping effect is limited,and the real mode superposition approximation method provides accurate estimates.For 0.9<γf<1.1,the system may have a pair of closely spaced frequency modes,and the non-zero off-diagonal damping terms have a non-negligible effect on the damping ratios and mode shape vectors of these modes.For 0.9<γf<1.1 and the equipment-to-structure mass ratiosγm<0.07,the real mode superposition approximation method results in large errors,while the approximation method can provide an accurate estimation for 0.9<γf<1.1 andγm>0.07.Furthermore,extensive parametric analyses are conducted,where both steel structures and reinforced concrete structures with equipment with various damping ratios are considered.Finally,the finite element analysis of a five-story industrial building is adopted to validate the proposed range of applicability.
文摘Electromechanical carbon nanothermometers are devices that work based on the interactions and relative mo- tions of double-walled carbon nanotubes (DWCNTs). In this paper, the mechanics of carbon nanotubes (CNTs) con- stituting two welt-known configurations for nanothermome- ter, namely shuttle configuration and telescope configuration are fully investigated. Lennard-Jones (LJ) potential func- tion along with the continuum approximation is employed to investigate van der Waals (vdW) interactions between the in- teracting entities. Accordingly, semi-analytical expressions in terms of single integrals are obtained for vdW interactions. Acceptance condition and suction energy are studied for the shuttle configuration. In addition, a universal potential en- ergy is presented for the shuttle configuration consisting of two finite CNTs. Also, for the telescope configuration, ex- tensive studies are performed on the distributions of potential energy and interaction force for various radii and lengths of CNTs. It is found that these geometrical parameters have a considerable effect on the potential energy.