Accurate determination of seismic velocity of the crust is important for understanding regional tectonics and crustal evolution of the Earth. We propose a stepwise joint linearized inversion method using surface wave ...Accurate determination of seismic velocity of the crust is important for understanding regional tectonics and crustal evolution of the Earth. We propose a stepwise joint linearized inversion method using surface wave dispersion, Rayleigh wave ZH ratio (i.e., ellipticity), and receiver function data to better resolve 1D crustal shear wave velocity (Vs) structure. Surface wave dispersion and Rayleigh wave ZH ratio data are more sensitive to absolute variations of shear wave speed at depths, but their sensi- tivity kernels to shear wave speeds are different and complimentary. However, receiver function data are more sensitive to sharp velocity contrast (e.g., due to the existence of crustal interfaces) and Vp/Vs ratios. The stepwise inversion method takes advantages of the complementary sensitivities of each dataset to better constrain the Vs model in the crust. We firstly invert surface wave dispersion and ZH ratio data to obtain a 1D smooth absolute vs model and then incorporate receiver function data in the joint inver- sion to obtain a finer Vs model with better constraints on interface structures. Through synthetic tests, Monte Carlo error analyses, and application to real data, we demonstrate that the proposed joint inversion method can resolve robust crustal Vs structures and with little initial model dependency.展开更多
An efficient method for the analytic evaluation of the plasma dispersion function for the Fermi-Dirac distribution is proposed.The new method has been developed using the binomial expansion theorem and the Gamma funct...An efficient method for the analytic evaluation of the plasma dispersion function for the Fermi-Dirac distribution is proposed.The new method has been developed using the binomial expansion theorem and the Gamma functions.The general formulas obtained for the plasma dispersion function are utilized for the evaluation of the response function.The resulting series present better convergence rates.Several acceleration techniques are combined to further improve the efficiency.The obtained results for the plasma dispersion function are in good agreement with the known numerical data.展开更多
Using the seismic records of 83 temporary and 17 permanent broadband seismic stations deployed in Tangshan earthquake region and its adjacent areas(39°N–41.5°N,115.5°E–119.5°E),we conducted a non...Using the seismic records of 83 temporary and 17 permanent broadband seismic stations deployed in Tangshan earthquake region and its adjacent areas(39°N–41.5°N,115.5°E–119.5°E),we conducted a nonlinear joint inversion of receiver functions and surface wave dispersion.We obtained some detailed information about the Tangshan earthquake region and its adjacent areas,including sedimentary thickness,Moho depth,and crustal and upper mantle S-wave velocity.Meanwhile,we also obtained the vP/vS structure along two sections across the Tangshan region.The results show that:(1)the Moho depth ranges from 30 km to 38 km,and it becomes shallower from Yanshan uplift area to North China basin;(2)the thickness of sedimentary layer ranges from 0 km to 3 km,and it thickens from Yanshan uplift region to North China basin;(3)the S-wave velocity structure shows that the velocity distribution of the upper crust has obvious correlation with the surface geological structure,while the velocity characteristics of the middle and lower crust are opposite to that of the upper crust.Compared with the upper crust,the heterogeneity of the middle and lower crust is more obvious;(4)the discontinuity of Moho on the two sides of Tangshan fault suggests that Tangshan fault cut the whole crust,and the low vS and high vP/vS beneath the Tangshan earthquake region may reflect the invasion of mantle thermal material through Tangshan fault.展开更多
Background: The most dominant global threat to natural forests and their biodiversity is land-cover change, which has negative impacts on both species persistence and ecosystem functions. Land-cover change could alter...Background: The most dominant global threat to natural forests and their biodiversity is land-cover change, which has negative impacts on both species persistence and ecosystem functions. Land-cover change could alter animal behaviour and disrupt seed dispersal mutualisms. However, its effects on the role of bird functional traits in seed dispersal are not well studied.Methods: In the present study, we assessed the contributions of bird functional traits(behavioural traits: food habit, foraging pattern, foraging frequency, and habitat specialisation; morphological traits: weight, body length, wing length, and tail length) to both seed removal patterns and seed dispersal distances of an endangered and native tree species, Chinese yew(Taxus chinensis), in farmland, patchy habitat, and natural habitat, of southeast China.Results: We found that the ability of T. chinensis trees to form seed dispersal mutualisms with local birds varied across the different disturbed habitats. As a consequence of these mutualisms, more seeds were removed by birds from the patchy habitat than from the other two habitats. The number of seeds removed increased with bird foraging frequency. Moreover, the dispersal distance from the three habitats differed, and the longest dispersal distances were observed at both the patchy habitat and the farmland site. Seed dispersal distance increased with bird tail and wing length.Conclusions: Our results highlight the importance of bird functional traits in the seed dispersal patterns of endangered trees across disturbed forest habitats, which should be considered for tree conservation and management.展开更多
The dispersion process in heterogeneous porous media is distance-dependent, which results from multi-scaling property of heterogeneous structure. An analytical model describing the dispersion with an exponential dispe...The dispersion process in heterogeneous porous media is distance-dependent, which results from multi-scaling property of heterogeneous structure. An analytical model describing the dispersion with an exponential dispersion function is built, which is transformed into ODE problem with variable coefficients, and obtained analytical solution for two type boundary conditions using hypergeometric function and inversion technique. According to the analytical solution and computing results the difference between the exponential dispersion and constant dispersion process is analyzed展开更多
Based on the previous study results, two higher accuracy explicit solutions to the dispersion equation for wave length are presented in this paper. These two solutions have an accuracy of 0. 1% over all wave lengths, ...Based on the previous study results, two higher accuracy explicit solutions to the dispersion equation for wave length are presented in this paper. These two solutions have an accuracy of 0. 1% over all wave lengths, which is sufficiently complete for practical application. At the same time, several previous explicit solutions also have been reviewed and compared herein. In comparison with accuracy, the results show that the present two solutions are as good as Wu and Thornton's solution (which has a good accuracy over all wave lengths, but its calculation formula is so complex that it is hard to be used with a hand calculator), and are better than the other solutions, they may be rather useful in practical calculation with a hand calculator or computer.展开更多
The phonon dispersion relations of three kinds of 4 A carbon nanotubes are calculated by using the density functional perturbation theory. It is found that the frequencies of some phonon modes are very sensitive to th...The phonon dispersion relations of three kinds of 4 A carbon nanotubes are calculated by using the density functional perturbation theory. It is found that the frequencies of some phonon modes are very sensitive to the smearing width used in the calculations, and eventually become negative at low electronic temperature. Moreover, two kinds of soft modes are identified for the (5,0) tube which are quite different from those reported previously. Our results suggest that the (5,0) tube remains metallic at very low temperature, instead of the metallie-semiconducting transition claimed before.展开更多
1. Introduction In quantum optics, optical frequency conversion is a typical nonlinear process and is worth studying, for example, a second harmonic frequency generation will generate a squeezed state.[1'2l In this ...1. Introduction In quantum optics, optical frequency conversion is a typical nonlinear process and is worth studying, for example, a second harmonic frequency generation will generate a squeezed state.[1'2l In this work, we tackle the evolution of an initial coherent state in a Raman dispersion process which is also a nonlinear process. The process involves the inelastic scattering of a pho- ton when it is incident on a molecule. The photon loses some of its energy to the molecule or gains some from it, and so leaves the molecule with a lower or a higher frequency. The lower frequency components of the scattered radiation are called the Stokes lines and the higher frequency components are called the anti- Stokes lines. The Hamiltonian governing its dynamics is[3]展开更多
It is shown that the estimation of nonlinear distortions in the various circuits based on the measurement of the ratio of the dispersion and correlation functions does not depend on the level of additive noise acting ...It is shown that the estimation of nonlinear distortions in the various circuits based on the measurement of the ratio of the dispersion and correlation functions does not depend on the level of additive noise acting on the input (or output) of nonlinear circuit. The proposed theoretical method is confirmed by experimental measurements.展开更多
The phonon dispersion relations of crystalline solids play an important role in determining the mechanical and thermal properties of materials.The phonon dispersion relation,as well as the vibrational density of state...The phonon dispersion relations of crystalline solids play an important role in determining the mechanical and thermal properties of materials.The phonon dispersion relation,as well as the vibrational density of states,is also often used as an indicator of variation of lattice thermal conductivity with the external stress,defects,etc.In this study,a simple and fast tool is proposed to acquire the phonon dispersion relation of crystalline solids based on the LAMMPS package.The theoretical details for the calculation of the phonon dispersion relation are derived mathematically and the computational flow chart is present.The tool is first used to calculate the phonon dispersion relation of graphene with two atoms in the unit cell.Then,the phonon dispersions corresponding to several potentials or force fields,which are commonly used in the LAMMPS package to modeling the graphene,are obtained to compare with that from the DFT calculation.They are further extended to evaluate the accuracy of the used potentials before the molecular dynamics simulation.The tool is also used to calculate the phonon dispersion relation of superlattice structures that contains more than one hundred of atoms in the unit cell,which predicts the phonon band gaps along the cross-plane direction.Since the phonon dispersion relation plays an important role in the physical properties of condensed matter,the proposed tool for the calculation of the phonon dispersion relation is of great significance for predicting and explaining the mechanical and thermal properties of crystalline solids.展开更多
By introducing the Lucas-Riccati method and a linear variable separation method, new variable separation solutions with arbitrary functions are derived for a (2+1)-dimensional modified dispersive water-wave system....By introducing the Lucas-Riccati method and a linear variable separation method, new variable separation solutions with arbitrary functions are derived for a (2+1)-dimensional modified dispersive water-wave system. The main idea of this method is to express the solutions of this system as polynomials in the solution of the Riecati equation that the symmetrical Lucas functions satisfy. From the variable separation sohition and by selecting appropriate functions, some novel Jacobian elliptic wave structure with variable modulus and their interactions with dromions and peakons are investigated.展开更多
Ashcroft's local empty core (EMC) model pseudopotential in the second-order perturbation theory is used to study the electron dispersion relation, the Fermi energy, and deviation in the Fermi energy from free elect...Ashcroft's local empty core (EMC) model pseudopotential in the second-order perturbation theory is used to study the electron dispersion relation, the Fermi energy, and deviation in the Fermi energy from free electron value for the liquid alkali metals and their equiatomic binary alloys for the first time. In the present computation, the use of pseudo-alloy-atom model (PAA) is proposed and found successful. The influence of the six different forms of the local field correction functions proposed by Hartree (H), Vashishta Singwi (VS), Taylor (T), lehimaru-Utsumi (IU), Farid et al. (F), and Sarkar et al. (S) on the aforesaid electronic properties is examined explicitly, which reflects the varying effects of screening. The depth of the negative hump in the electron dispersion of liquid alkalis decreases in the order Li --→ K, except for Rb and Cs, it increases. The results of alloys are in predictive nature.展开更多
The ultimate aim of the present work is to establish an acceptable level of computation for the van der waals (vdw) complexes that is able to pick up appreciable amount of dispersion interaction energy, reproduce the ...The ultimate aim of the present work is to establish an acceptable level of computation for the van der waals (vdw) complexes that is able to pick up appreciable amount of dispersion interaction energy, reproduce the equilibrium separation within the acceptable limits and at the same time cost and time effective. In order to reach this aim vdw clusters where pure isotropic dispersion interaction occur, namely, Ar dimer and trime were investigated. Computations using different basis sets and at different levels of theory have been carried out. Three basis sets, namely, the 6-31++G**, the 6-311++G** and the aug-cc-pvdz basis set, were found superior to all other basis sets used. The high performance and relative small CPU time of the 6-31++G** basis set make it a good candidate for use with large vdw clusters, especially those of interest in biology. Three compound methods were applied in the present work, namely G1, G2 and G2 Moller-Plesset (MP2) and the complete basis set method, CBS-Q. These methods failed to detect the attraction dispersion interaction in the dimer. The predicted repulsive interaction seems dominant in all these methods. Some of the recently developed Density Functional Theory (DFT) methods that were parameterized to account for the dispersion interaction were also evaluated in the present work. Results come to the conclusion that, in contrast to the claims made, state-of-the-art Density Functional Theory methods are incapable of accounting for dispersion effects in a quantitative way, although these methods predict correctly the inter-atomic separations and are?thus considered a real improvement over the conventional methods. BS-SE has been computed, analyzed and discussed.展开更多
Two problems in solid state physics and superconductivity are addressed by applications of dispersion dynamics. The first is the Hall effect. The dynamics of charges that yield positive Hall coefficients in material h...Two problems in solid state physics and superconductivity are addressed by applications of dispersion dynamics. The first is the Hall effect. The dynamics of charges that yield positive Hall coefficients in material having no mobile positive charges have always been problematic The effect requires both electric and magnetic response, but magnetic deflection is only possible in mobile charges. In high temperature superconductors, these charges must be electrons. Contrary to Newton’s second law, their acceleration is reversed in crystal fields that dictate negative dispersion. This is evident in room temperature measurements, but a second problem arises in supercurrents at low temperatures. The charge dynamics in material having zero internal electric field because of zero resistivity;and zero magnetic field because of the Meissner-Ochsenfeld diamagnetism;while the supercurrents themselves have properties of zero net momentum;zero spin;and sometimes, zero charge;are so far from having been resolved that they may never have been addressed. Again, dispersion dynamics are developed to provide solutions given by reduction of the superconducting wave packet. The reduction is here physically analyzed, though it is usually treated as a quantized unobservable.展开更多
In this work, by means of a generalized method and symbolic computation, we extend the Jacobi elliptic function rational expansion method to uniformly construct a series of stochastic wave solutions for stochastic evo...In this work, by means of a generalized method and symbolic computation, we extend the Jacobi elliptic function rational expansion method to uniformly construct a series of stochastic wave solutions for stochastic evolution equations. To illustrate the effectiveness of our method, we take the (2+ 1)-dimensional stochastic dispersive long wave system as an example. We not only have obtained some known solutions, but also have constructed some new rational formal stochastic Jacobi elliptic function solutions.展开更多
Because magnetic moment is spatial in classical magnetostatics, we progress beyond the axiomatic concept of the point particle electron in physics. Orbital magnetic moment is well grounded in spherical harmonics in a ...Because magnetic moment is spatial in classical magnetostatics, we progress beyond the axiomatic concept of the point particle electron in physics. Orbital magnetic moment is well grounded in spherical harmonics in a central field. There, quantum numbers are integral. The half-integral spinor moment appears to be due to cylindrical motion in an external applied magnetic field;when this is zero , the spin states are degenerate. Consider lifting the degeneracy by diamagnetism in the cylindrical magnetic field: a uniquely derived electronic magnetic radius shares the identical value to the Compton wavelength.展开更多
This paper presents an analysis of dispersion of dynamic biochemical signals in steady flow in a shallow Y-type microfluidic channel. A method is presented to control the flow widths of two steady flows in the Y-type ...This paper presents an analysis of dispersion of dynamic biochemical signals in steady flow in a shallow Y-type microfluidic channel. A method is presented to control the flow widths of two steady flows in the Y-type microchannel from two inlets.The transfer function for the Y-type microchannel is given by solving the governing equation for the Taylor-Aris dispersion in the microchannel. The amplitude-frequency and phase-frequency relations are provided which show that a shallow Y-type microchannel acts as a low-pass filter. The transports of different dynamic biochemical signals are investigated. In comparison with a fully mixing microfluidic channel, the magnitudes of the dynamic signals at the outlets in a Y-type microchannel are much smaller than those in a fully mixing microchannel, which demonstrates that the amplitude attenuation in a Y-type microchannel is larger than that of a fully mixing microchannel due to the transverse molecular diffusion. In order to control the desired signal in a microchannel, the solution of the inverse problem for the channel is also presented.展开更多
We report a high performance supported Pt catalyst, in which a perfluorosulfonic acid (Nation) functionalized carbon black is used as support. The catalyst is characterized by infrared spectroscopy (IR), transmiss...We report a high performance supported Pt catalyst, in which a perfluorosulfonic acid (Nation) functionalized carbon black is used as support. The catalyst is characterized by infrared spectroscopy (IR), transmission electron microscopy (TEM) and X-ray diffraction (XRD). The TEM image shows that the active Pt component is in nanoparticles and highly dispersed on the carbon black with an average particle size of 1.9 nm. The catalyst shows improved activity towards the methanol anodic oxidation and oxygen reduction reaction (ORR), resulting from the high dispersion of active Pt component. It leads to increases in electrochemically accessible surface areas and ion channels, as well as easier charge- transfer at polymer/electrolyte interfaces. The high platinum utilization and high performance of Pt/Nafion-C catalyst make it a promising electrocatalyst for fuel cell application.展开更多
The staggered-grid finite-difference (SGFD) method has been widely used in seismic forward modeling. The precision of the forward modeling results directly affects the results of the subsequent seismic inversion and...The staggered-grid finite-difference (SGFD) method has been widely used in seismic forward modeling. The precision of the forward modeling results directly affects the results of the subsequent seismic inversion and migration. Numerical dispersion is one of the problems in this method. The window function method can reduce dispersion by replacing the finite-difference operators with window operators, obtained by truncating the spatial convolution series of the pseudospectral method. Although the window operators have high precision in the low-wavenumber domain, their precision decreases rapidly in the high-wavenumber domain. We develop a least squares optimization method to enhance the precision of operators obtained by the window function method. We transform the SGFD problem into a least squares problem and find the best solution iteratively. The window operator is chosen as the initial value and the optimized domain is set by the error threshold. The conjugate gradient method is also adopted to increase the stability of the solution. Approximation error analysis and numerical simulation results suggest that the proposed method increases the precision of the window function operators and decreases the numerical dispersion.展开更多
基金supported by the National Earthquake Science Experiment in Sichuan and Yunnan Provinces of China(#2016 CESE 0201)National Natural Science Foundation of China(#41574034)China National Special Fund for Earthquake Scientific Research in Public Interest(#201508008)
文摘Accurate determination of seismic velocity of the crust is important for understanding regional tectonics and crustal evolution of the Earth. We propose a stepwise joint linearized inversion method using surface wave dispersion, Rayleigh wave ZH ratio (i.e., ellipticity), and receiver function data to better resolve 1D crustal shear wave velocity (Vs) structure. Surface wave dispersion and Rayleigh wave ZH ratio data are more sensitive to absolute variations of shear wave speed at depths, but their sensi- tivity kernels to shear wave speeds are different and complimentary. However, receiver function data are more sensitive to sharp velocity contrast (e.g., due to the existence of crustal interfaces) and Vp/Vs ratios. The stepwise inversion method takes advantages of the complementary sensitivities of each dataset to better constrain the Vs model in the crust. We firstly invert surface wave dispersion and ZH ratio data to obtain a 1D smooth absolute vs model and then incorporate receiver function data in the joint inver- sion to obtain a finer Vs model with better constraints on interface structures. Through synthetic tests, Monte Carlo error analyses, and application to real data, we demonstrate that the proposed joint inversion method can resolve robust crustal Vs structures and with little initial model dependency.
文摘An efficient method for the analytic evaluation of the plasma dispersion function for the Fermi-Dirac distribution is proposed.The new method has been developed using the binomial expansion theorem and the Gamma functions.The general formulas obtained for the plasma dispersion function are utilized for the evaluation of the response function.The resulting series present better convergence rates.Several acceleration techniques are combined to further improve the efficiency.The obtained results for the plasma dispersion function are in good agreement with the known numerical data.
基金This research is supported by Spark Program of Earthquake Science(No.XH18065Y)National Natural Science Foundation of China(Nos.41774066 and 41604049)。
文摘Using the seismic records of 83 temporary and 17 permanent broadband seismic stations deployed in Tangshan earthquake region and its adjacent areas(39°N–41.5°N,115.5°E–119.5°E),we conducted a nonlinear joint inversion of receiver functions and surface wave dispersion.We obtained some detailed information about the Tangshan earthquake region and its adjacent areas,including sedimentary thickness,Moho depth,and crustal and upper mantle S-wave velocity.Meanwhile,we also obtained the vP/vS structure along two sections across the Tangshan region.The results show that:(1)the Moho depth ranges from 30 km to 38 km,and it becomes shallower from Yanshan uplift area to North China basin;(2)the thickness of sedimentary layer ranges from 0 km to 3 km,and it thickens from Yanshan uplift region to North China basin;(3)the S-wave velocity structure shows that the velocity distribution of the upper crust has obvious correlation with the surface geological structure,while the velocity characteristics of the middle and lower crust are opposite to that of the upper crust.Compared with the upper crust,the heterogeneity of the middle and lower crust is more obvious;(4)the discontinuity of Moho on the two sides of Tangshan fault suggests that Tangshan fault cut the whole crust,and the low vS and high vP/vS beneath the Tangshan earthquake region may reflect the invasion of mantle thermal material through Tangshan fault.
基金supported by the National Natural Science Foundation of China(No.31700468)Natural Science Foundation of Jiangsu Province(No.BK2017636)the Key Subject of Ecology of Jiangsu Province
文摘Background: The most dominant global threat to natural forests and their biodiversity is land-cover change, which has negative impacts on both species persistence and ecosystem functions. Land-cover change could alter animal behaviour and disrupt seed dispersal mutualisms. However, its effects on the role of bird functional traits in seed dispersal are not well studied.Methods: In the present study, we assessed the contributions of bird functional traits(behavioural traits: food habit, foraging pattern, foraging frequency, and habitat specialisation; morphological traits: weight, body length, wing length, and tail length) to both seed removal patterns and seed dispersal distances of an endangered and native tree species, Chinese yew(Taxus chinensis), in farmland, patchy habitat, and natural habitat, of southeast China.Results: We found that the ability of T. chinensis trees to form seed dispersal mutualisms with local birds varied across the different disturbed habitats. As a consequence of these mutualisms, more seeds were removed by birds from the patchy habitat than from the other two habitats. The number of seeds removed increased with bird foraging frequency. Moreover, the dispersal distance from the three habitats differed, and the longest dispersal distances were observed at both the patchy habitat and the farmland site. Seed dispersal distance increased with bird tail and wing length.Conclusions: Our results highlight the importance of bird functional traits in the seed dispersal patterns of endangered trees across disturbed forest habitats, which should be considered for tree conservation and management.
文摘The dispersion process in heterogeneous porous media is distance-dependent, which results from multi-scaling property of heterogeneous structure. An analytical model describing the dispersion with an exponential dispersion function is built, which is transformed into ODE problem with variable coefficients, and obtained analytical solution for two type boundary conditions using hypergeometric function and inversion technique. According to the analytical solution and computing results the difference between the exponential dispersion and constant dispersion process is analyzed
基金This study was financially supported by the Doctor Degree ProgramFoundation of the Ministry of Education of China(Grant No.20050294009)
文摘Based on the previous study results, two higher accuracy explicit solutions to the dispersion equation for wave length are presented in this paper. These two solutions have an accuracy of 0. 1% over all wave lengths, which is sufficiently complete for practical application. At the same time, several previous explicit solutions also have been reviewed and compared herein. In comparison with accuracy, the results show that the present two solutions are as good as Wu and Thornton's solution (which has a good accuracy over all wave lengths, but its calculation formula is so complex that it is hard to be used with a hand calculator), and are better than the other solutions, they may be rather useful in practical calculation with a hand calculator or computer.
基金Project supported by the National Natural Science Foundation of China (Grant No. 10504025)the National Key Basic Research Program of China (Grant No. 2007CB607501)the Natural Science Foundation for Distinguished Young Scholars of Hubei Province, China
文摘The phonon dispersion relations of three kinds of 4 A carbon nanotubes are calculated by using the density functional perturbation theory. It is found that the frequencies of some phonon modes are very sensitive to the smearing width used in the calculations, and eventually become negative at low electronic temperature. Moreover, two kinds of soft modes are identified for the (5,0) tube which are quite different from those reported previously. Our results suggest that the (5,0) tube remains metallic at very low temperature, instead of the metallie-semiconducting transition claimed before.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.10775097 and 10475056)
文摘1. Introduction In quantum optics, optical frequency conversion is a typical nonlinear process and is worth studying, for example, a second harmonic frequency generation will generate a squeezed state.[1'2l In this work, we tackle the evolution of an initial coherent state in a Raman dispersion process which is also a nonlinear process. The process involves the inelastic scattering of a pho- ton when it is incident on a molecule. The photon loses some of its energy to the molecule or gains some from it, and so leaves the molecule with a lower or a higher frequency. The lower frequency components of the scattered radiation are called the Stokes lines and the higher frequency components are called the anti- Stokes lines. The Hamiltonian governing its dynamics is[3]
文摘It is shown that the estimation of nonlinear distortions in the various circuits based on the measurement of the ratio of the dispersion and correlation functions does not depend on the level of additive noise acting on the input (or output) of nonlinear circuit. The proposed theoretical method is confirmed by experimental measurements.
基金Project supported by the National Key R&D Program of China (Grant No. 2017YFB0406000)the Southeast University “Zhongying Young Scholars”Project
文摘The phonon dispersion relations of crystalline solids play an important role in determining the mechanical and thermal properties of materials.The phonon dispersion relation,as well as the vibrational density of states,is also often used as an indicator of variation of lattice thermal conductivity with the external stress,defects,etc.In this study,a simple and fast tool is proposed to acquire the phonon dispersion relation of crystalline solids based on the LAMMPS package.The theoretical details for the calculation of the phonon dispersion relation are derived mathematically and the computational flow chart is present.The tool is first used to calculate the phonon dispersion relation of graphene with two atoms in the unit cell.Then,the phonon dispersions corresponding to several potentials or force fields,which are commonly used in the LAMMPS package to modeling the graphene,are obtained to compare with that from the DFT calculation.They are further extended to evaluate the accuracy of the used potentials before the molecular dynamics simulation.The tool is also used to calculate the phonon dispersion relation of superlattice structures that contains more than one hundred of atoms in the unit cell,which predicts the phonon band gaps along the cross-plane direction.Since the phonon dispersion relation plays an important role in the physical properties of condensed matter,the proposed tool for the calculation of the phonon dispersion relation is of great significance for predicting and explaining the mechanical and thermal properties of crystalline solids.
文摘By introducing the Lucas-Riccati method and a linear variable separation method, new variable separation solutions with arbitrary functions are derived for a (2+1)-dimensional modified dispersive water-wave system. The main idea of this method is to express the solutions of this system as polynomials in the solution of the Riecati equation that the symmetrical Lucas functions satisfy. From the variable separation sohition and by selecting appropriate functions, some novel Jacobian elliptic wave structure with variable modulus and their interactions with dromions and peakons are investigated.
文摘Ashcroft's local empty core (EMC) model pseudopotential in the second-order perturbation theory is used to study the electron dispersion relation, the Fermi energy, and deviation in the Fermi energy from free electron value for the liquid alkali metals and their equiatomic binary alloys for the first time. In the present computation, the use of pseudo-alloy-atom model (PAA) is proposed and found successful. The influence of the six different forms of the local field correction functions proposed by Hartree (H), Vashishta Singwi (VS), Taylor (T), lehimaru-Utsumi (IU), Farid et al. (F), and Sarkar et al. (S) on the aforesaid electronic properties is examined explicitly, which reflects the varying effects of screening. The depth of the negative hump in the electron dispersion of liquid alkalis decreases in the order Li --→ K, except for Rb and Cs, it increases. The results of alloys are in predictive nature.
文摘The ultimate aim of the present work is to establish an acceptable level of computation for the van der waals (vdw) complexes that is able to pick up appreciable amount of dispersion interaction energy, reproduce the equilibrium separation within the acceptable limits and at the same time cost and time effective. In order to reach this aim vdw clusters where pure isotropic dispersion interaction occur, namely, Ar dimer and trime were investigated. Computations using different basis sets and at different levels of theory have been carried out. Three basis sets, namely, the 6-31++G**, the 6-311++G** and the aug-cc-pvdz basis set, were found superior to all other basis sets used. The high performance and relative small CPU time of the 6-31++G** basis set make it a good candidate for use with large vdw clusters, especially those of interest in biology. Three compound methods were applied in the present work, namely G1, G2 and G2 Moller-Plesset (MP2) and the complete basis set method, CBS-Q. These methods failed to detect the attraction dispersion interaction in the dimer. The predicted repulsive interaction seems dominant in all these methods. Some of the recently developed Density Functional Theory (DFT) methods that were parameterized to account for the dispersion interaction were also evaluated in the present work. Results come to the conclusion that, in contrast to the claims made, state-of-the-art Density Functional Theory methods are incapable of accounting for dispersion effects in a quantitative way, although these methods predict correctly the inter-atomic separations and are?thus considered a real improvement over the conventional methods. BS-SE has been computed, analyzed and discussed.
文摘Two problems in solid state physics and superconductivity are addressed by applications of dispersion dynamics. The first is the Hall effect. The dynamics of charges that yield positive Hall coefficients in material having no mobile positive charges have always been problematic The effect requires both electric and magnetic response, but magnetic deflection is only possible in mobile charges. In high temperature superconductors, these charges must be electrons. Contrary to Newton’s second law, their acceleration is reversed in crystal fields that dictate negative dispersion. This is evident in room temperature measurements, but a second problem arises in supercurrents at low temperatures. The charge dynamics in material having zero internal electric field because of zero resistivity;and zero magnetic field because of the Meissner-Ochsenfeld diamagnetism;while the supercurrents themselves have properties of zero net momentum;zero spin;and sometimes, zero charge;are so far from having been resolved that they may never have been addressed. Again, dispersion dynamics are developed to provide solutions given by reduction of the superconducting wave packet. The reduction is here physically analyzed, though it is usually treated as a quantized unobservable.
基金The project partially supported by the State Key Basic Research Program of China under Grant No. 2004CB318000
文摘In this work, by means of a generalized method and symbolic computation, we extend the Jacobi elliptic function rational expansion method to uniformly construct a series of stochastic wave solutions for stochastic evolution equations. To illustrate the effectiveness of our method, we take the (2+ 1)-dimensional stochastic dispersive long wave system as an example. We not only have obtained some known solutions, but also have constructed some new rational formal stochastic Jacobi elliptic function solutions.
文摘Because magnetic moment is spatial in classical magnetostatics, we progress beyond the axiomatic concept of the point particle electron in physics. Orbital magnetic moment is well grounded in spherical harmonics in a central field. There, quantum numbers are integral. The half-integral spinor moment appears to be due to cylindrical motion in an external applied magnetic field;when this is zero , the spin states are degenerate. Consider lifting the degeneracy by diamagnetism in the cylindrical magnetic field: a uniquely derived electronic magnetic radius shares the identical value to the Compton wavelength.
基金National Natural Science Foundation of Chinagrant number:11172060the Fundamental Research Funds for the Central Universities in China
文摘This paper presents an analysis of dispersion of dynamic biochemical signals in steady flow in a shallow Y-type microfluidic channel. A method is presented to control the flow widths of two steady flows in the Y-type microchannel from two inlets.The transfer function for the Y-type microchannel is given by solving the governing equation for the Taylor-Aris dispersion in the microchannel. The amplitude-frequency and phase-frequency relations are provided which show that a shallow Y-type microchannel acts as a low-pass filter. The transports of different dynamic biochemical signals are investigated. In comparison with a fully mixing microfluidic channel, the magnitudes of the dynamic signals at the outlets in a Y-type microchannel are much smaller than those in a fully mixing microchannel, which demonstrates that the amplitude attenuation in a Y-type microchannel is larger than that of a fully mixing microchannel due to the transverse molecular diffusion. In order to control the desired signal in a microchannel, the solution of the inverse problem for the channel is also presented.
文摘We report a high performance supported Pt catalyst, in which a perfluorosulfonic acid (Nation) functionalized carbon black is used as support. The catalyst is characterized by infrared spectroscopy (IR), transmission electron microscopy (TEM) and X-ray diffraction (XRD). The TEM image shows that the active Pt component is in nanoparticles and highly dispersed on the carbon black with an average particle size of 1.9 nm. The catalyst shows improved activity towards the methanol anodic oxidation and oxygen reduction reaction (ORR), resulting from the high dispersion of active Pt component. It leads to increases in electrochemically accessible surface areas and ion channels, as well as easier charge- transfer at polymer/electrolyte interfaces. The high platinum utilization and high performance of Pt/Nafion-C catalyst make it a promising electrocatalyst for fuel cell application.
基金jointly supported by the NSF(No.41720104006)the Strategic Priority Research Program of the Chinese Academy of Sciences(A)(No.XDA14010303)+2 种基金the National Oil and Gas Project(Nos.2016ZX05002-005-007HZ and 2016ZX05014-001-008HZ)the Shandong Innovation Project(No.2017CXGC1602)the Qingdao Innovation Project(Nos.16-5-1-40-jch and 17CX05011)
文摘The staggered-grid finite-difference (SGFD) method has been widely used in seismic forward modeling. The precision of the forward modeling results directly affects the results of the subsequent seismic inversion and migration. Numerical dispersion is one of the problems in this method. The window function method can reduce dispersion by replacing the finite-difference operators with window operators, obtained by truncating the spatial convolution series of the pseudospectral method. Although the window operators have high precision in the low-wavenumber domain, their precision decreases rapidly in the high-wavenumber domain. We develop a least squares optimization method to enhance the precision of operators obtained by the window function method. We transform the SGFD problem into a least squares problem and find the best solution iteratively. The window operator is chosen as the initial value and the optimized domain is set by the error threshold. The conjugate gradient method is also adopted to increase the stability of the solution. Approximation error analysis and numerical simulation results suggest that the proposed method increases the precision of the window function operators and decreases the numerical dispersion.