The dynamic properties of proton conductivity along hydrogen-bonded molecular systems, for example, ice crystal, with structure disorder or damping and finite temperatures exposed in an externally applied electric-fie...The dynamic properties of proton conductivity along hydrogen-bonded molecular systems, for example, ice crystal, with structure disorder or damping and finite temperatures exposed in an externally applied electric-field have been numerically studied by Runge-Kutta way in our soliton model. The results obtained show that the proton-soliton is very robust against the structure disorder including the fluctuation of the force constant and disorder in the sequence of masses and thermal perturbation and damping of medium, the velocity of its conductivity increases with increasing of the externally applied electric-field and decreasing of the damping coefficient of medium, but the proton-soliton disperses for quite great fluctuation of the "force constant and damping coefficient. In the numerical simulation we find that the proton-soliton in our model is thermally stable in a large region of temperature of T ≤ 273 K under influences of damping and externally applied electric-field in ice crvstal. This shows that our model is available and appropriate to ice.展开更多
The vibrational energy spectra of OH stretch of H_(2)O in both vapour and liquid phases are calculated by using the quantized discrete self-trapping equation of nonlinear quantum theory.The results obtained are in goo...The vibrational energy spectra of OH stretch of H_(2)O in both vapour and liquid phases are calculated by using the quantized discrete self-trapping equation of nonlinear quantum theory.The results obtained are in good agreement with the experiment.Meanwhile,it is noted that the behaviour of the distribution of energy levels of high excited states obtained here is useful in optical spectrum research.展开更多
The properties of proton transfer along hydrogen-bonded molecular systems are studied at finite temperature. The dynamic equations of the proton transport along the systems are obtained by using a completely quantumme...The properties of proton transfer along hydrogen-bonded molecular systems are studied at finite temperature. The dynamic equations of the proton transport along the systems are obtained by using a completely quantummechanics method. From the dynamic equations and its soliton solutions we find out specific heat arising from the motionof solitons in the systems with finite temperature and the critical temperature of the soliton in the protein molecules,which is about 318 K. This shows that we can continuously study some biological phenomena in the living systems bythis model.展开更多
The structure aperiodicities can influence seriously the features of motion of soliton excited in the α-helix protein molecules with three channels. We study the influence of structure aperiodicities on the features ...The structure aperiodicities can influence seriously the features of motion of soliton excited in the α-helix protein molecules with three channels. We study the influence of structure aperiodicities on the features of the soliton in the improved model by numerical simulation and Runge-Kulta method. The results obtained show that the new soliton is very robust against the structure aperiodieities including large disorder in the sequence of mass of the amino acids and fluctuations of spring constant, coupling constant, dipole-dipole interactional constant, ground state energy and chain-chain interaction. However, very strong structure aperiodieities can also destroy the stability of the soliton in the α-helix protein molecules.展开更多
We study numerically the propagating properties of soliton-transported bio-energy excited in the a-helix protein molecules with three channels in the cases of the short-time and long-time motions and its features of c...We study numerically the propagating properties of soliton-transported bio-energy excited in the a-helix protein molecules with three channels in the cases of the short-time and long-time motions and its features of collision at temperature T = 0 and biological temperature T = 300 K by the dynamic equations in the improved Davydov theory and fourth-order Runge-Kutta method, respectively. From these simulation experiments we see that the new solitons in the improved model can move without dispersion at a constant speed retaining its shape and energy in the cases of motion of both short-time or T = 0 and long time or T = 300 K and can go through each other without scattering in their collisions. In these cases its lifetime is, at least, 120 ps at 300 K, in which the soliton can travel over about 700 amino acid residues. This result is consistent with analytic result obtained by quantum perturbed theory in this model. In the meanwhile, the influences of structure disorder of a-helix protein molecules, including the inhomogeneous distribution of amino acids with different masses and fluctuations of spring constant, dipole-dipole interaction, exciton-phonon coupling constant and diagonal disorder, on the solitons are also studied by the fourth-order Runge-Kutta method. The results show that the soliton still is very robust against the structure disorders and thermal perturbation of proteins at biological temperature 300 K. Therefore we can conclude that the new soliton in the a-helix protein molecules with three channels is a possible carrier of bio-energy transport and the improved model is possibly a candidate for the mechanism of this transport.展开更多
The stochastic resonance phenomenon in a bistable system subject to Markov dichotomous noise (DN) is investigated. Based on the adiabatic elimination and the two-state theories, the explicit expressions for the sign...The stochastic resonance phenomenon in a bistable system subject to Markov dichotomous noise (DN) is investigated. Based on the adiabatic elimination and the two-state theories, the explicit expressions for the signal-tonoise ratio (SNR) and the spectral power amplification (SPA) have been obtained. It is shown that two peaks can occur on the curve of SNR versus the intensity of the DN. Moreover, the SNR is a non-monotonic function of the correlation time of the DN. The SPA varies non-monotonously with the strength of the DN. The dependence of the SNR on the frequency and the amplitude of the external periodic signal are discussed. The effect of the external frequency and the correlation time of the DN on the SPA are analyzed.展开更多
The effects of the nonadiabatic phonon behaviours on the ground state of the system and the quantum modifications of the polaron characteristics and the modification form of the uncertainty relation between the phonon...The effects of the nonadiabatic phonon behaviours on the ground state of the system and the quantum modifications of the polaron characteristics and the modification form of the uncertainty relation between the phonon coordinate and momentum due to fluctuations of the electron density in the coupled electron-phonon systems have been studied by using a new variational ansatz for coherent phonons with correlated displacement and squeezing including internations with electrons.The correlated effect results in the following effect:(1)the energy of the ground state of the system is found to be lower than that for the phonons with uncorrelated displacement and squeezing;(2)the binding energy of the polaron was found to be increased;(3)the nonadiabatic coupling with electrons enhances the quantum uncertainty for the phonon coordinate and momentum when compared with the adiabatic and uncorrelated case.展开更多
For the finite-difference time domain(FDTD)method,the electromagnetic scattering problem,which requires the characteristic structure size to be much smaller than the wavelength of the exciting source,is still a challe...For the finite-difference time domain(FDTD)method,the electromagnetic scattering problem,which requires the characteristic structure size to be much smaller than the wavelength of the exciting source,is still a challenge.To circumvent this difficulty,this paper presents a novel hybrid numerical technique of combined difference and spectrum for time-domain Maxwell’s equations.With periodical continuation of each time-dependent quantity in Maxwell’s equations,the solutions before and after the continuation remain consistent in the first period,which results in the conversion of the continuous spectrum problem to a discrete one.The discrete spectrum of the field after continuation is obtained from difference methods for Maxwell’s curl equations in frequency-domain,and the time domain solution of the original problem is derived from their inverse Fourier transform.Due to its unconditional stability,the proposed scheme excels FDTD in resolving the aforementioned problems.In addition,this method can simulate dispersive media whose electric susceptibility cannot be expressed with Debye or Lorentz types of models.In dealing with boundary conditions,it can utilize the perfectly matched layer(PML)without extra codes.Numerical experiments demonstrate its effectiveness,easy implementation and high precision.展开更多
基金The project supported by National Natural Science Foundation of China under Grant No. 90306015
文摘The dynamic properties of proton conductivity along hydrogen-bonded molecular systems, for example, ice crystal, with structure disorder or damping and finite temperatures exposed in an externally applied electric-field have been numerically studied by Runge-Kutta way in our soliton model. The results obtained show that the proton-soliton is very robust against the structure disorder including the fluctuation of the force constant and disorder in the sequence of masses and thermal perturbation and damping of medium, the velocity of its conductivity increases with increasing of the externally applied electric-field and decreasing of the damping coefficient of medium, but the proton-soliton disperses for quite great fluctuation of the "force constant and damping coefficient. In the numerical simulation we find that the proton-soliton in our model is thermally stable in a large region of temperature of T ≤ 273 K under influences of damping and externally applied electric-field in ice crvstal. This shows that our model is available and appropriate to ice.
文摘The vibrational energy spectra of OH stretch of H_(2)O in both vapour and liquid phases are calculated by using the quantized discrete self-trapping equation of nonlinear quantum theory.The results obtained are in good agreement with the experiment.Meanwhile,it is noted that the behaviour of the distribution of energy levels of high excited states obtained here is useful in optical spectrum research.
文摘The properties of proton transfer along hydrogen-bonded molecular systems are studied at finite temperature. The dynamic equations of the proton transport along the systems are obtained by using a completely quantummechanics method. From the dynamic equations and its soliton solutions we find out specific heat arising from the motionof solitons in the systems with finite temperature and the critical temperature of the soliton in the protein molecules,which is about 318 K. This shows that we can continuously study some biological phenomena in the living systems bythis model.
基金supported by the National "973" Project of China under Grant No. 2007CB936103
文摘The structure aperiodicities can influence seriously the features of motion of soliton excited in the α-helix protein molecules with three channels. We study the influence of structure aperiodicities on the features of the soliton in the improved model by numerical simulation and Runge-Kulta method. The results obtained show that the new soliton is very robust against the structure aperiodieities including large disorder in the sequence of mass of the amino acids and fluctuations of spring constant, coupling constant, dipole-dipole interactional constant, ground state energy and chain-chain interaction. However, very strong structure aperiodieities can also destroy the stability of the soliton in the α-helix protein molecules.
基金The project supported by National Natural Science Foundation of China under Grant No. 19974034
文摘We study numerically the propagating properties of soliton-transported bio-energy excited in the a-helix protein molecules with three channels in the cases of the short-time and long-time motions and its features of collision at temperature T = 0 and biological temperature T = 300 K by the dynamic equations in the improved Davydov theory and fourth-order Runge-Kutta method, respectively. From these simulation experiments we see that the new solitons in the improved model can move without dispersion at a constant speed retaining its shape and energy in the cases of motion of both short-time or T = 0 and long time or T = 300 K and can go through each other without scattering in their collisions. In these cases its lifetime is, at least, 120 ps at 300 K, in which the soliton can travel over about 700 amino acid residues. This result is consistent with analytic result obtained by quantum perturbed theory in this model. In the meanwhile, the influences of structure disorder of a-helix protein molecules, including the inhomogeneous distribution of amino acids with different masses and fluctuations of spring constant, dipole-dipole interaction, exciton-phonon coupling constant and diagonal disorder, on the solitons are also studied by the fourth-order Runge-Kutta method. The results show that the soliton still is very robust against the structure disorders and thermal perturbation of proteins at biological temperature 300 K. Therefore we can conclude that the new soliton in the a-helix protein molecules with three channels is a possible carrier of bio-energy transport and the improved model is possibly a candidate for the mechanism of this transport.
基金supported by the Doctor Foundation of Panzhihua University under Grant No.B2006-1
文摘The stochastic resonance phenomenon in a bistable system subject to Markov dichotomous noise (DN) is investigated. Based on the adiabatic elimination and the two-state theories, the explicit expressions for the signal-tonoise ratio (SNR) and the spectral power amplification (SPA) have been obtained. It is shown that two peaks can occur on the curve of SNR versus the intensity of the DN. Moreover, the SNR is a non-monotonic function of the correlation time of the DN. The SPA varies non-monotonously with the strength of the DN. The dependence of the SNR on the frequency and the amplitude of the external periodic signal are discussed. The effect of the external frequency and the correlation time of the DN on the SPA are analyzed.
基金Supported by the State Science and Technology Commission of China under Grant No.SSTC-96-10.
文摘The effects of the nonadiabatic phonon behaviours on the ground state of the system and the quantum modifications of the polaron characteristics and the modification form of the uncertainty relation between the phonon coordinate and momentum due to fluctuations of the electron density in the coupled electron-phonon systems have been studied by using a new variational ansatz for coherent phonons with correlated displacement and squeezing including internations with electrons.The correlated effect results in the following effect:(1)the energy of the ground state of the system is found to be lower than that for the phonons with uncorrelated displacement and squeezing;(2)the binding energy of the polaron was found to be increased;(3)the nonadiabatic coupling with electrons enhances the quantum uncertainty for the phonon coordinate and momentum when compared with the adiabatic and uncorrelated case.
文摘For the finite-difference time domain(FDTD)method,the electromagnetic scattering problem,which requires the characteristic structure size to be much smaller than the wavelength of the exciting source,is still a challenge.To circumvent this difficulty,this paper presents a novel hybrid numerical technique of combined difference and spectrum for time-domain Maxwell’s equations.With periodical continuation of each time-dependent quantity in Maxwell’s equations,the solutions before and after the continuation remain consistent in the first period,which results in the conversion of the continuous spectrum problem to a discrete one.The discrete spectrum of the field after continuation is obtained from difference methods for Maxwell’s curl equations in frequency-domain,and the time domain solution of the original problem is derived from their inverse Fourier transform.Due to its unconditional stability,the proposed scheme excels FDTD in resolving the aforementioned problems.In addition,this method can simulate dispersive media whose electric susceptibility cannot be expressed with Debye or Lorentz types of models.In dealing with boundary conditions,it can utilize the perfectly matched layer(PML)without extra codes.Numerical experiments demonstrate its effectiveness,easy implementation and high precision.