نتایج جستجو برای: dispersion interaction

تعداد نتایج: 622852  

2002
V. E. ZAKHAROV E. I. SCHULMAN

Here A, B are arbitrary constants, t~ is an arbitrary constant vector. The notion of the dispersion laws, degenerative to processes including several types of waves may be defined by analogous way, Let us consider, for example, the process in which one ~ave with dispersion law 11(k) is formed as a result of the interaction of two waves with d~:~peJsion law o(k). Such a process is described %' ~...

2003
S. K. Aggarwal T. W. Park

The effects of swirl and vaporization on droplet dispersion are investigated in the near region of a two-phase, swirling, heated jet. Simulations are based on the numerical solution of time-dependent, axisymmetric gas-phase equations.Droplets’ trajectories are tracked byusingaLagrangianapproach.Forall of the swirl cases investigated, the droplet dispersion exhibits a nonmonotonic behavior, with...

2014
Roland G. Huber Michael A. Margreiter Julian E. Fuchs Susanne von Grafenstein Christofer S. Tautermann Klaus R. Liedl Thomas Fox

In this study we investigate π-stacking interactions of a variety of aromatic heterocycles with benzene using dispersion corrected density functional theory. We calculate extensive potential energy surfaces for parallel-displaced interaction geometries. We find that dispersion contributes significantly to the interaction energy and is complemented by a varying degree of electrostatic interactio...

2016
A. Hopper R. Seviour

Currently there is an increasing interest in dielectric wall accelerators. These work by slowing the speed of an EM wave to match the velocity of a particle beam, allowing wave-beam interactions, accelerating the beam. However conventional dielectric materials have limited interaction regions, so wave-beam energy transfer is minimal. In this paper we consider Artificial Materials (AMs), as slow...

2012
Shufang Liu Yu Sui Kai Guo Zhijuan Yin Xibao Gao

The interaction of nanomaterials with biological macromolecules is an important foundation of the design and the biological safety assessments of nanomaterials. This work aims to investigate the interaction between pristine C60 and serum albumins (human serum albumin and bovine serum albumin) in solution. Stable aqueous dispersion of C60 was prepared by simple direct ultrasonic method and chara...

2003
Lev I. Deych

We consider phonon polariton states which may arise in disordered dielectrics due to a random light-phonon coupling. We show that these states can be described within the model of disorder-induced crossing resonance (DICR). The dispersion laws and relaxation rates of these states have been explored. Polaritons are shown to be good candidates for the experimental observation of the effects of DI...

Journal: :Physical review letters 2004
Klaus van Benthem Guolong Tan Linda K DeNoyer Roger H French Manfred Rühle

Quantitative analysis of spatially resolved valence electron energy-loss spectra shows strong physical property contrasts for Sigma5 and near Sigma13 grain boundaries in Fe-doped SrTiO3, resulting in London dispersion interaction energies of 14 to 50 mJ/m(2) between the adjacent grains. The determination of local physical properties of grain boundary cores and the appreciable contribution of lo...

Journal: :Proceedings of the National Academy of Sciences of the United States of America 2008
Lan Hua Ruhong Zhou D Thirumalai B J Berne

The mechanism of denaturation of proteins by urea is explored by using all-atom microseconds molecular dynamics simulations of hen lysozyme generated on BlueGene/L. Accumulation of urea around lysozyme shows that water molecules are expelled from the first hydration shell of the protein. We observe a 2-stage penetration of the protein, with urea penetrating the hydrophobic core before water, fo...

Journal: :Physical review. A, Atomic, molecular, and optical physics 1995
Jamieson Drake Dalgarno

2009
Jing Kong Zhengting Gan Emil Proynov Marek Freindorf Thomas R. Furlani

One of the major deficiencies of the standard density functionals is their inability to describe dispersion interactions. Becke and Johnson recently proposed a conceptually simple yet accurate dispersion model called the exchange-dipole moment XDM model, which allows the calculation of both intermolecular and intramolecular dispersion interactions with density functional theory DFT . In this pa...

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