نتایج جستجو برای: potential function

تعداد نتایج: 2160864  

Journal: :The Journal of chemical physics 2012
Christoph Wehmeyer Guido Falk von Rudorff Sebastian Wolf Gabriel Kabbe Daniel Schärf Thomas D Kühne Daniel Sebastiani

We present a stochastic, swarm intelligence-based optimization algorithm for the prediction of global minima on potential energy surfaces of molecular cluster structures. Our optimization approach is a modification of the artificial bee colony (ABC) algorithm which is inspired by the foraging behavior of honey bees. We apply our modified ABC algorithm to the problem of global geometry optimizat...

Journal: :Physical review letters 2011
H Hedgeland B A J Lechner F E Tuddenham A P Jardine W Allison J Ellis M Sacchi S J Jenkins B J Hinch

The dissociative adsorption of cyclopentadiene (C(5)H(6)) on Cu(111) yields a cyclopentadienyl (Cp) species with strongly anionic characteristics. The Cp potential energy surface and frictional coupling to the substrate are determined from measurements of dynamics of the molecule together with density functional calculations. The molecule is shown to occupy degenerate threefold adsorption sites...

Journal: :Scalable Computing: Practice and Experience 2014
Maria Ganzha Marcin Paprzycki Stanislav G. Sedukhin

Recently, a novel method for image scrambling (and unscrambling) has been proposed. This method is based on a linear transformation involving the Kroneker-delta function. However, while quite interesting, the way it was introduced, leaves some open issues concerning its actual usability for information hiding. Therefore, in this paper, we extend the original proposal and show how it can be used...

2017
Veronika Brandstätter Julia Schüler

The present research is based on the notion that disengagement from goals is not a discrete event but a process (Klinger, 1975). A critical phase in this process is when difficulties and setbacks in striving for a goal accumulate. This critical phase is termed here as an action crisis. Given the profound effects that people's thoughts have on their self regulatory efficiency, it is essential to...

2007
Masahiro Yamamoto Wuqing Ning

We consider a wave equation with damping coefficient ∂ 2 u ∂t 2 (x, t) = ∂ 2 u ∂x 2 (x, t) + p1(x) ∂u ∂t (x, t) + p2(x) ∂u ∂x (x, t), 0 < x < 1, −T < t < T , u(x, 0) = 0, ∂u ∂t (x, 0) = δ(x), 0 ≤ x ≤ 1, ∂u ∂x (0, t) = ∂u ∂x (1, t) = 0, −T ≤ t ≤ T where T ≥ 2, the complex-valued functions p1, p2 ∈ C 1 [0, 1] and δ(x) is the Dirac delta function. We discuss an inverse problem of determining simul...

Journal: :Advances in physiology education 2004
Mauricio J Giuliodori Gustavo Zuccolilli

As educators, we are continually designing new methods and procedures to enhance learning. During this process, good ideas are frequently generated and tested, but the extent of such activities may not be adequate for a full manuscript. Nonetheless, the ideas may be quite beneficial in improving the teaching and learning of physiology. Illuminations is a column designed to facilitate the sharin...

In this paper, the Elzaki transform method is used for solving two-dimensional (2D) elasticity problems in plane polar coordinates. Airy stress function was used to express the stress compatibility equation as a biharmonic equation. Elzaki transform was applied with respect to the radial coordinate to a modified form of the stress compatibility equation, and the biharmonic equation simplified t...

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