By introducing a SchrSdinger type spectral problem with four potentials, we derive a new hierarchy nonlinear evolution equations. Through the nonlinearization of eigenvalue problems, we get a new finite-dimensional Ha...By introducing a SchrSdinger type spectral problem with four potentials, we derive a new hierarchy nonlinear evolution equations. Through the nonlinearization of eigenvalue problems, we get a new finite-dimensional Hamiltonian system, which is completely integrable in the Liouville sense.展开更多
In this paper, we employ the concept of probability for creating a cavity with diameter d in fluid along with the perturbation and variation approach, and develop an equation of state （EOS） for a hard sphere （HS） ...In this paper, we employ the concept of probability for creating a cavity with diameter d in fluid along with the perturbation and variation approach, and develop an equation of state （EOS） for a hard sphere （HS） and Lennard Jones （L J） fluids. A suitable axiomatic form for surface tension S（r） is assumed for the pure fluid, with r as a variable. The function S（r） has an arbitrary parameter rn. S（r） = A ＋ B（d/r）/[1 ＋ m（d/r）]. We use the condition in terms of radial distribution function G（λd,η） containing the self-consistent parameter λ and the condition of continuity at r = d/2 to determine A and B. A different EOS can be obtained with a suitable choice of rn and the EOS has a lower root-mean-square deviation than that of Barker-Henderson BH2 for LJ fluids.展开更多
We introduce a simple condition for one mole fluid by considering the thermodynamics of molecules pointing towards the effective potential for the cluster. Efforts are made to estimate new physical parameter f in liqu...We introduce a simple condition for one mole fluid by considering the thermodynamics of molecules pointing towards the effective potential for the cluster. Efforts are made to estimate new physical parameter f in liquid state using the equation of state containing only two physical parameters such as the hard sphere diameter and binding energy. The temperature dependence of the structural properties and the thermodynamic behavior of the clusters are studied. Computations based on f predict the variation of numbers of particles at the contact point of the molecular cavity（radial distribution function）.From the thermodynamic profile of the fluid, the model results are discussed in terms of the cavity due to the closed surface along with suitable energy. The present calculation is based upon the sample thermodynamic data for n-hexanol, such as the ultrasonic wave, density, volume expansion coefficient, and ratio of specific heat in the liquid state, and it is consistent with the thermodynamic relations containing physical parameters such as size and energy. Since the data is restricted to n-hexanol, we avoid giving the physical meaning of f, which is the key parameter studied in the present work.展开更多
Lenard-Jones 6-12 potential has been used to simulate the surface processes offace-centered cubic C60. A concerted exchange mechbosm was found most favorable forthe drigration of a C60 molecule absorbed on fcc (100) s...Lenard-Jones 6-12 potential has been used to simulate the surface processes offace-centered cubic C60. A concerted exchange mechbosm was found most favorable forthe drigration of a C60 molecule absorbed on fcc (100) surface. A Monte Carlo sedationhas shown that slabs in fcc (110) and (100) surface melt in layers in the temperature range0f 700K-1000K.展开更多
文摘By introducing a SchrSdinger type spectral problem with four potentials, we derive a new hierarchy nonlinear evolution equations. Through the nonlinearization of eigenvalue problems, we get a new finite-dimensional Hamiltonian system, which is completely integrable in the Liouville sense.
文摘In this paper, we employ the concept of probability for creating a cavity with diameter d in fluid along with the perturbation and variation approach, and develop an equation of state （EOS） for a hard sphere （HS） and Lennard Jones （L J） fluids. A suitable axiomatic form for surface tension S（r） is assumed for the pure fluid, with r as a variable. The function S（r） has an arbitrary parameter rn. S（r） = A ＋ B（d/r）/[1 ＋ m（d/r）]. We use the condition in terms of radial distribution function G（λd,η） containing the self-consistent parameter λ and the condition of continuity at r = d/2 to determine A and B. A different EOS can be obtained with a suitable choice of rn and the EOS has a lower root-mean-square deviation than that of Barker-Henderson BH2 for LJ fluids.
文摘We introduce a simple condition for one mole fluid by considering the thermodynamics of molecules pointing towards the effective potential for the cluster. Efforts are made to estimate new physical parameter f in liquid state using the equation of state containing only two physical parameters such as the hard sphere diameter and binding energy. The temperature dependence of the structural properties and the thermodynamic behavior of the clusters are studied. Computations based on f predict the variation of numbers of particles at the contact point of the molecular cavity（radial distribution function）.From the thermodynamic profile of the fluid, the model results are discussed in terms of the cavity due to the closed surface along with suitable energy. The present calculation is based upon the sample thermodynamic data for n-hexanol, such as the ultrasonic wave, density, volume expansion coefficient, and ratio of specific heat in the liquid state, and it is consistent with the thermodynamic relations containing physical parameters such as size and energy. Since the data is restricted to n-hexanol, we avoid giving the physical meaning of f, which is the key parameter studied in the present work.
文摘Lenard-Jones 6-12 potential has been used to simulate the surface processes offace-centered cubic C60. A concerted exchange mechbosm was found most favorable forthe drigration of a C60 molecule absorbed on fcc (100) surface. A Monte Carlo sedationhas shown that slabs in fcc (110) and (100) surface melt in layers in the temperature range0f 700K-1000K.
