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1.
Molecular dynamics simulations were performed at constant temperature to obtain the surface tension of hydrocarbon chains at the liquid–vapour interface. The Ewald sum was used to calculate the dispersion forces of the Lennard–Jones potential to take into account the full interaction. The NERD and TraPPE_UA flexible force field models were used to simulate molecules from ethane to hexadecane along the coexistence curve. The simulation results for the TraPPE_UA model are in good agreement with experimental data, whereas the NERD model predicts slightly higher values.  相似文献   

2.
A detailed study is presented of the calculation of the surface tension and the surface energy of Lennard–Jones fluids from the radial distribution function and the density profile. To do so, a modification is made to Lekner and Henderson's statistical mechanics approach by introducing two simple analytical expressions for the radial distribution function of the interface zone. In these expressions the radial distribution functions of the liquid and vapour phases are weighted via step or exponential variations. The well- known exponential model for the density profile in the interface zone is considered. Finally, results are compared with values from experiment, from computer simulation and from relevant theoretical developments. It is shown that the use of the proposed radial distribution function in the interface zone represents a significant improvement in applying Lekner and Henderson's approach.  相似文献   

3.
The grand partition function for the two-dimensional, two-component plasma at =2 is evaluated exactly in a finite system for various interfaces: a charged hard wall (the so-called primitive electrode model), a second two-component plasma of different fugacity separated by an impermeable membrane (the ideally polarizable interface), and a metal wall separated by an impermeable barrier. For each of these models the surface tension is calculated directly from the asymptotic expansion of the grand partition function.  相似文献   

4.
The laws of refection and transimission on a moving interface between two nonvacuum medium are studied and the new method, which can be used for handling reflection and transimission on the moving interfaces between the vacuum-nonvacuum media and between two nonvacuum medium is suggested. The formula of reflection and transmission coefficients that suitable for both cases are derived. The present paper not only enriches electrodynamical theory, but also laies the foundation of optical waveguide modulators and other similar device.  相似文献   

5.
The laws of refection and transimission on a moving interface between two nonvacuum medium are studied and the new method, which can be used for handling reflection and transimission on the moving interfaces between the vacuum-nonvacuum media and between two nonvacuum medium is suggested. The formula of reflection and transmission coefficients that suitable for both cases are derived. The present paper not only enriches electrodynamical theory, but also laies the foundation of optical waveguide modulators and other similar device.  相似文献   

6.
Recently BICEP2 collaboration has announced the detection of the primordial gravitational waves at high confidence level.In light of the results of B-modes power spectrum from BICEP2 and using the basedΛCDM,a constraint on the tensor-to-scalar ratio r=0.20+0.07-0.05(68%C.L.)can be obtained,however,this result is in apparent tension with the limit on standard inflation models from the recent PLANCK measurement,r0.11(95%C.L.).Herein we review the recent progress on the cosmological studies after BICEP2 and discuss on different ways of reconciling the tension between PLANCK and BICEP2 data.We will discuss possible modifications on the standard cosmological model,such as including the running of scalar spectral index or other cosmological parameters correlated with inflationary cosmological parameters,or tilting the primordial power spectrum at large scales by introducing a cut off which can be predicted by bouncing cosmology.We will also comment on another possibility of generating extra B-modes of CMB polarization,namely by a non-zero polarization rotation angle during its transferring from the last scattering surface.  相似文献   

7.
We report femtosecond laser bonding with strengths of a few MPa and the material mixing during the laser bonding process by using Sm3+- and Cr3+-doped glasses and 180 fs pulses at a repetition rate of 1 kHz from an amplified Ti:sapphire laser at a wavelength of 785 nm. By analyzing fluorescence spectra taken around the interface using a confocal scanning microscope we observed the migration of Sm ions from the upper Sm-doped glass to the lower Cr-doped glass and the reduction from Sm3+ to Sm2+ ions just above the interface for the borate-borate material system. However, in Sm-doped borate-borosilicate, the laser bonding did not produce any reduction and migration of Sm3+ ions.  相似文献   

8.
The surface wave propagation at the interface between tunable metamaterials (MTMs) and nonlinear media is investigated. Tunable MTMs have a refractive index which can be tuned to negative?Czero?Cpositive values. The nonlinear media are assumed to have a Kerr-like refractive index. The dispersion equation is analytically derived and solved numerically. Results display the different behaviors of the propagating waves as the refractive index is tuned.  相似文献   

9.
Considering the inhomogeneous or heterogeneous background, we have demonstrated that if the background and the half-immersed object are both non-absorbing, the transferred photon momentum to the pulled object can be considered as the one of Minkowski exactly at the interface. In contrast, the presence of loss inside matter, either in the half-immersed object or in the background, causes optical pushing of the object. Our analysis suggests that for half-immersed plasmonic or lossy dielectric, the transferred momentum of photon can mathematically be modeled as the type of Minkowski and also of Abraham. However, according to a final critical analysis, the idea of Abraham momentum transfer has been rejected. Hence,an obvious question arises: whence the Abraham momentum? It is demonstrated that though the transferred momentum to a half-immersed Mie object(lossy or lossless) can better be considered as the Minkowski momentum, Lorentz force analysis suggests that the momentum of a photon traveling through the continuous background, however, can be modeled as the type of Abraham. Finally, as an interesting sidewalk, a machine learning based system has been developed to predict the time-averaged force within a very short time avoiding time-consuming full wave simulation.  相似文献   

10.
The spectrum of the mass operator on the soliton sectors of the anisotropic (|ø|4)2—and the (ø4)2—quantum field models in the two phase region is analyzed. It is proven that, for small enough >0, the mass gapm s() on the soliton sector is positive, andm s()=0(–1). This involves estimatingm s() from below by a quantity () analogous to the surface tension in the statistical mechanics of two dimensional, classical spin systems and then estimating () by methods of Euclidean field theory. In principle, our methods apply to any two dimensional quantum field model with a spontaneously broken, internal symmetry group.A Sloan Foundation Fellow; Research supported in part by the U.S. National Science Foundation under Grant No. MPS 75-11864.Supported in part by the National Science Foundation under Grant No. PHY 76-17191  相似文献   

11.
A discussion is given of the role of the unstable and metastable parts (the loop) in the equation of state of the van der Waals or Landau type for the interface theory. The role of the loop in the field-theoretic renormalization calculation of the interface is analyzed. It is shown that in real-space renormalization no loop occurs and that a satisfactory interface calculation can be made using Migdal's renormalization procedure.  相似文献   

12.
A model based on near coincidence of diffraction intensity-weighted reciprocal lattice spots was used to study the orientation relationships between a precipitate and matrix in various alloys. The model was used to calculate the orientation relationship and interface orientations between phases including body-centred cubic, body-centred tetragonal, face-centred cubic and hexagonal close-packed crystals. Comparison of calculated results with those reported from various experimental observations demonstrate that in most cases the model can predict the orientation relationship between two phases with an accuracy of a few degrees or better. Calculation of the interface orientation was found to be very sensitive to the exact orientation relationship and therefore, in some cases, showed significant deviation from experimental observations.  相似文献   

13.
The partially Reynolds-averaged Navier–Stokes (PANS) model can be used to simulate turbulent flows either as RANS, large eddy simulation (LES) or DNS. Its main parameter is fk whose physical meaning is the ratio of the modelled to the total turbulent kinetic energy. In RANS fk = 1, in DNS fk = 0 and in LES fk takes values between 0 and 1. Three different ways of prescribing fk are evaluated for decaying grid turbulence and fully developed channel flow: fk = 0.4, fk = k3/2 tot/? and, from its definition, fk = k/ktot where ktot is the sum of the modelled, k, and resolved, kres, turbulent kinetic energy. It is found that the fk = 0.4 gives the best results. In Girimaji and Wallin, a method was proposed to include the effect of the gradient of fk. This approach is used at RANS– LES interface in the present study. Four different interface models are evaluated in fully developed channel flow and embedded LES of channel flow: in both cases, PANS is used as a zonal model with fk = 1 in the unsteady RANS (URANS) region and fk = 0.4 in the LES region. In fully developed channel flow, the RANS– LES interface is parallel to the wall (horizontal) and in embedded LES, it is parallel to the inlet (vertical). The importance of the location of the horizontal interface in fully developed channel flow is also investigated. It is found that the location – and the choice of the treatment at the interface – may be critical at low Reynolds number or if the interface is placed too close to the wall. The reason is that the modelled turbulent shear stress at the interface is large and hence the relative strength of the resolved turbulence is small. In RANS, the turbulent viscosity – and consequently also the modelled Reynolds shear stress – is only weakly dependent on Reynolds number. It is found in the present work that it also applies in the URANS region.  相似文献   

14.
15.
Superconductivity at 20–34 K in the interface formed by metallic and oxidized sodium has been observed by ac magnetic susceptibility measurements. By means of X-ray diffraction measurements, it has been found that the oxidized sodium layer consists of a mixture of Na2O, Na2O2, NaO2 and NaO3 compounds.  相似文献   

16.
Using equilibrium and non-equilibrium molecular dynamics simulations, we determine the Kapitza resistance (or thermal contact resistance) at a model liquid-solid interface. The Kapitza resistance (or the associated Kapitza length) can reach appreciable values when the liquid does not wet the solid. The analogy with the hydrodynamic slip length is discussed.  相似文献   

17.
A strong indication of superconductivity at 20–90 K in the interface formed by metallic and oxidized copper has been revealed by ac magnetic susceptibility measurements. By means of X-ray diffraction measurements, it has been found that the oxidized copper consists of a mixture of Cu2O and CuO compounds.  相似文献   

18.
Metastable superconductivity at 39–54 K in the interfaces formed by metallic and oxidized magnesium (MgO) has been observed by ac magnetic susceptibility measurements. The superconducting interfaces have been produced by the surface oxidation of metallic magnesium under special conditions.  相似文献   

19.
Vapour–liquid equilibria of the Lennard–Jones potential, truncated and shifted at 2.5σ, are studied using molecular dynamics simulations, an attractive option for studying inhomogeneous systems. Comprehensive simulation data are reported for three cases: no interface, a planar interface, and a spherical interface between the coexisting phases, covering a wide range of temperatures. Spherical droplets are also studied for a range of radii between 5 and 16σ. The size dependence of the surface tension, based on the Irving–Kirkwood pressure tensor, and other properties is quantified for spherical interfaces. All simulation results are correlated with a consistent set of empirical equations. A comparison with the results of other authors as well as with experimental data for noble gases and methane is also presented.  相似文献   

20.
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