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41.
X.X. Guo 《Surface science》2004,549(3):211-216
We studied parallel conductivities of pure BaF2 films with thicknesses ranging from 35 to 300 nm, epitaxially grown on Al2O3(0 1 2) substrates by molecular beam epitaxy technique. The overall conductivities of the films are found to increase with decreasing thickness. The detailed investigation of the overall conductance as a function of the thickness permits the deconvolution of bulk and boundary effects, the latter being attributed to distinct space charge effects in the interface between BaF2 film and Al2O3 substrate. The (extrinsic) Debye length (λ) is estimated to be about 8 nm at T=593 K, which corresponds to an impurity content of 1018/cm3 (singly ionized dopant assumed). This is consistent with the fact that we observed a constant boundary contribution for all investigated films (film thickness >4λ). It is also consistent with the Debye length observed in a previous report on CaF2/BaF2 heterolayers fabricated by the same technique, in which the low temperature enhancement was also attributed to space charges in BaF2 [Nature 408 (2000) 946]. Only at low temperatures (below 370 °C), the conductance seems to be influenced by strain effect. 相似文献
42.
The steady-state two-phase flow non-linear equation is considered in the case when one of phases has low effective permeability in some periodic set, while on the complementary set it is high; the second phase has no contrast of permeabilities in different zones. A homogenization procedure gives the homogenized model with macroscopic effective permeability of the second phase depending on the gradient and on the second order derivatives of the macroscopic pressure of the first phase. This effect cannot be obtained by classical (one small parameter) homogenization. To cite this article: G.P. Panasenko, G. Virnovsky, C. R. Mecanique 331 (2003). 相似文献
43.
A. Vukics H. Ritsch 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,44(3):585-599
We present a framework for efficiently performing Monte Carlo
wave-function simulations in cavity QED with moving particles. It
relies heavily on the object-oriented programming paradigm as realised
in C++, and is extensible and applicable for simulating open
interacting qua
ntum dynamics in general. The user is provided with a
number of “elements”, e.g. pumped moving particles, pumped lossy
cavity modes, and various interactions to compose complex interacting
systems, which contain several particles moving in electromagnetic
fields of various configurations, and perform wave-function
simulations on such systems. A number of tools are provided to
facilitate the implementation of new elements. 相似文献
44.
Ricardo L. Mancera Michalis Chalaris Jannis Samios 《Journal of Molecular Liquids》2004,110(1-3):147-153
We have carried out a molecular dynamics study of dimethyl sulfoxide (DMSO) in water at 298 K at two different densities by simulating two different concentrations: 0.055 and 0.19 mole fraction. We have found an enhancement in the structure of water, an effect that becomes more pronounced as the concentration of DMSO increases. At both concentrations there is a well-defined hydration structure around the oxygen atom of DMSO, which is able to establish strong hydrogen bonds with surrounding water molecules. An increase in the concentration of DMSO depletes the solution of bulk water molecules, reducing the number of hydrogen bonds that water can have in the immediate vicinity of DMSO but increasing the strength of the hydrogen bonds made between the oxygen atom of DMSO and water. There is clear evidence of ‘hydrophobic’ hydration around the methyl groups of DMSO, which is enhanced as the concentration of DMSO increases. 相似文献
45.
Thiw work is concerned with the formulation of constituent interactions and corresponding balance relations in classical mixture theory as based on a model for the (classical) constituent structure of such a mixture. 相似文献
46.
J. Schulte 《Journal of statistical physics》1993,70(5-6):1343-1347
The thermodynamic stability of4He4–13 at 3.2 K is investigated with the classical Monte Carlo method, with the semiclassical path-integral Monte Carlo (PIMC) method, and with the semiclassical all-order many-body method. In the all-order many-body simulation the dipole-dipole approximation including short-range correction is used. The resulting stability plots are discussed and related to recent TOF experiments by Stephens and King. It is found that with classical Monte Carlo of course the characteristics of the measured mass spectrum cannot be resolved. With PIMC, switching on more and more quantum mechanics. by raising the number of virtual time steps results in more structure in the stability plot, but this did not lead to sufficient agreement with the TOF experiment. Only the all-order many-body method resolved the characteristic structures of the measured mass spectrum, including magic numbers. The result shows the influence of quantum statistics and quantum mechanics on the stability of small neutral helium clusters. 相似文献
47.
T. Charitat B. Fourcade 《The European Physical Journal B - Condensed Matter and Complex Systems》1998,1(3):333-336
An o-ring takes spontaneously the shape of a chair when strong enough torsion is applied in its tangent plane. This state
is metastable, since work has to be done on the o-ring to return to the circular shape. We show that this metastable state
exists in a Hamiltonian where curvature and torsion are coupled via an intrinsic curvature term. If the o-ring is constrained to be planar (2d case), this metastable state displays a kink-anti-kink
pair. This state is metastable if the ratio is less than , where C and A are the torsion and the bending elastic constants [#!landau!#]. In three dimensions, our variational approach shows that
. This model can be generalized to the case where the bend is induced by a concentration field which follows the variations
of the curvature.
Received: 27 August 1997 / Revised: 23 October 1997 / Accepted: 12 November 1997 相似文献
48.
Jerzy Cioslowski 《Theoretical chemistry accounts》1992,81(4-5):319-327
Summary A new index, called the differential density matrix overlap (DDMO), is proposed for assessment of the electron correlation effects in atoms and molecules. DDMO can be easily calculated as the negative value of the correlation energy derivative with respect to the relative position of the occupied and virtual orbitals. DDMO is transparent to physical interpretation. It can serve as a tool for analyzing the accuracy of approximate electron correlation methods and the validity of the Hartree-Fock wavefunction as the zeroth-order approximation. The properties of DDMO are discussed using test calculations on 11 atoms and molecules as an example. 相似文献
49.
M.C. Ubaldi V. Stasi U. Colombo D. Piccinin M. Martinelli 《Photonics and Nanostructures》2007,5(2-3):145-148
Roughness reduction of a submicron waveguide profile in chemically amplified negative resist is here performed by proper selection of an alkali-based developer, taking into account that its smaller molecules lead to smoother resist surface by altering the developing mechanism of aggregate extraction performed with standard quaternary ammonium hydroxide. Roughness is then analyzed by means of classical Atomic Force Microscope inspection; furthermore, a non-invasive line edge roughness analysis approach based on top-down scanning electron microscope acquisition gives comparable results, in terms of standard deviation and molecular aggregate periodicity. 相似文献
50.
R. Carroll 《Theoretical and Mathematical Physics》2007,152(1):904-914
Quantization using quantum potentials is described in terms of momentum fluctuations, and it is related to Fisher information
and entropy.
__________
Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 152, No. 1, pp. 32–44, July, 2007. 相似文献