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1.
Rossmeisl J Kristensen I Gregersen M Jacobsen KW Nørskov JK 《Journal of the American Chemical Society》2003,125(52):16383-16386
The natural amino acids have different preferences of occurring in specific types of secondary protein structure. Simulations are performed on periodic model beta-sheets of 14 different amino acids, at the level of density functional theory, employing the generalized gradient approximation. We find that the statistically observed beta-sheet propensities correlate very well with the calculated binding energies. Analysis of the calculations shows that the beta-sheet propensities are determined by the local flexibility of the individual polypeptide strands. 相似文献
2.
An instability criterion based on the positivity of a Lyapunov-type exponent is used to study the stability of the Euler equations governing the motion of an inviscid incompressible fluid. It is proved that any flow with exponential stretching of the fluid particles is unstable. In the case of an arbitrary axisymmetric steady integrable flow, a sufficient condition for instability is exhibited in terms of the curvature and the geodesic torsion of a stream line and the helicity of the flow. 相似文献
3.
Schmalian Misha Suris Yuri B. Tumarkin Yuriy 《Mathematical Physics, Analysis and Geometry》2021,24(4):1-17
Mathematical Physics, Analysis and Geometry - In this paper, we develop the dressing method to study the modified Camassa-Holm equation with the help of reciprocal transformation and the associated... 相似文献
4.
We propose a model to describe correlated two-electron dynamics in strong laser fields during laser-induced recollision between an electron and its parent ion. We derive an effective interaction potential which describes the effect of the laser-driven electron collision with an ion while retaining the correlation between the colliding and the bound electron. Using dissociative ionization of molecular hydrogen as an example, we analyze the dynamics of correlation-driven electron localization in a dissociating hydrogen molecular ion. 相似文献
5.
王柏懿 《应用数学和力学(英文版)》2003,24(8):928-935
By using Lagrangian method, the flow properties of a dusty-gas point source in a supersonic free stream were studied and the particle parameters in the near-symmetry-axis region were obtained . It is demonstrated that fairly inertial particles travel along oscillating and intersecting trajectories between the bow and termination shock waves . In this region, formation of " mufti- layer structure" in panicle distribution with alternating low- and high density layers is revealed. Moreover, sharp accumulation of particles occurs near the envelopes of particle trajectories . 相似文献
6.
We show how an optimal control approach can be combined with the pump-probe technique for pulse compression by molecular phase modulation in hollow-core fibers to generate single 1-fs pulses in the visible. Varying the intensity and duration of the Gaussian-shaped pump pulse at the input induces optimal rotational response of the molecules. The probe pulse, which scatters off of the resulting time variation of the refractive index, is shaped at the input for optimal compression at the output, including dispersion to all orders. 相似文献
7.
We show how a carefully chosen combination of strong linearly and circularly polarized laser fields can bind two same-sign charges, not only suppressing their Coulomb repulsion in all three spatial dimensions, but also creating an effective attraction. As an example, we show how a molecule HD2+ stripped of both electrons can be kept bound by the laser fields. 相似文献
8.
Spherically symmetric static vacuum solutions have been built in f(T) models of gravity theory. We apply some conditions on the metric components; then new vacuum spherically symmetric solutions are obtained. Also, by extracting metric coefficients we determine the analytical form of f(T). 相似文献
9.
J. Thereska E. Plasari V. Misha T. Cuci 《Journal of Radioanalytical and Nuclear Chemistry》1992,165(1):1-8
Experiments with113mIn radiotracer in 0.01M aqueous solutions of EDTA have been carried out to investigate the fluid flow dynamics in columns of three different diameters filled with molecular sieve spherical particles. The dependence of the Peclet number upon the column diameter-to-particle diameter ratio is demonstrated and irregularities and fluctuations for ratios smaller than 10 are observed. The influence of these phenomena on the adsorption process was investigated. 相似文献
10.
Operations with tensors, or multiway arrays, have become increasingly prevalent in recent years. Traditionally, tensors are represented or decomposed as a sum of rank-1 outer products using either the CANDECOMP/PARAFAC (CP) or the Tucker models, or some variation thereof. Such decompositions are motivated by specific applications where the goal is to find an approximate such representation for a given multiway array. The specifics of the approximate representation (such as how many terms to use in the sum, orthogonality constraints, etc.) depend on the application.In this paper, we explore an alternate representation of tensors which shows promise with respect to the tensor approximation problem. Reminiscent of matrix factorizations, we present a new factorization of a tensor as a product of tensors. To derive the new factorization, we define a closed multiplication operation between tensors. A major motivation for considering this new type of tensor multiplication is to devise new types of factorizations for tensors which can then be used in applications.Specifically, this new multiplication allows us to introduce concepts such as tensor transpose, inverse, and identity, which lead to the notion of an orthogonal tensor. The multiplication also gives rise to a linear operator, and the null space of the resulting operator is identified. We extend the concept of outer products of vectors to outer products of matrices. All derivations are presented for third-order tensors. However, they can be easily extended to the order-p(p>3) case. We conclude with an application in image deblurring. 相似文献