TITLE

Heteroclinic solutions of a van der Waals model with indefinite nonlocal interactions

AUTHOR(S)
Bates, Peter; Chen, Xinfu; Chmaj, Adam
PUB. DATE
November 2005
SOURCE
Calculus of Variations & Partial Differential Equations;Nov2005, Vol. 24 Issue 3, p261
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We construct heteroclinic the global minimizers of a nonlocal free energy functional that van der Waals derived in 1893. We study the case where the nonlocality satisfies only a weakened type of ellipticity, which precludes the use of comparison methods. In the interesting case when the local part of the energy is nonconvex, we construct a classical the global minimizer by studying a relaxed functional corresponding to the convexification of the local part and exclude the possibility of minimizers of the relaxed functional having rapid oscillations. We also construct examples where the global minimizer is not monotonic.
ACCESSION #
18455995

 

Related Articles

  • A one-dimensional model with water-like anomalies and two phase transitions. Heckmann, Lotta; Drossel, Barbara // Journal of Chemical Physics;8/14/2012, Vol. 137 Issue 6, p064503 

    We investigate a one-dimensional model that shows several properties of water. The model combines the long-range attraction of the van der Waals model with the nearest-neighbor interaction potential by Ben-Naim, which is a step potential that includes a hard core and a potential well. Starting...

  • Generalized van der Waals density functional theory for nonuniform polymers. Patra, Chandra N.; Yethiraj, Arun // Journal of Chemical Physics;1/15/2000, Vol. 112 Issue 3 

    A density functional theory is presented for the effect of attractions on the structure of polymers at surfaces. The theory treats the ideal gas functional exactly, and uses a weighted density approximation for the hard chain contribution to the excess free energy functional. The attractive...

  • A density functional study of van der Waals interactions. Kamiya, Muneaki; Tsuneda, Takao; Hirao, Kimihiko // Journal of Chemical Physics;10/1/2002, Vol. 117 Issue 13, p6010 

    The applicability of density functional theory (DFT) to van der Waals (vdW) calculations are investigated by using the long-range exchange correction scheme and the Andersson-LangrethLundqvist vdW functional. By calculating bond energy potentials of rare-gas dimers, it was found that the present...

  • Density functional results for isotropic and anisotropic multipole polarizabilities and C[sub 6],... Osinga, V.P.; van Gisbergen, S.J.A. // Journal of Chemical Physics;3/22/1997, Vol. 106 Issue 12, p5091 

    Uses time-dependent density functional response theory to obtain the Vander der Waals dispersion coefficients C[sub 6], C[sub 7] and C[sub 8]. Calculation from the multipole polarizabilities at imaginary frequencies of the two interacting molecules; Use of one of the Van der Waals energy...

  • Calculation of van der Waals coefficients in hydrodynamic approach to time-dependent density functional theory. Banerjee, Arup; Harbola, Manoj K. // Journal of Chemical Physics;11/1/2002, Vol. 117 Issue 17, p7845 

    In this paper we employ hydrodynamic formulation of time-dependent density-functional theory to obtain coefficient C[sub 6] of the long-range part of the van der Waals interaction between alkali-metal clusters of large sizes. Such a calculation becomes computationally very demanding in the...

  • Studies of chirality effect of 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine on p38a by molecular dynamics simulations and free energy calculations. Quan Chen; Wei Cui; Mingjuan Ji // Journal of Computer-Aided Molecular Design;Oct2009, Vol. 23 Issue 10, p737 

    4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazines have been discovered as inhibitors of p38a. Experimental assays have proven that the configuration of a-Me-benzyl connected with amide at C6 is essential for the binding affinity. The S-configured inhibitor (11j) displays 80 times more potency than...

  • Van der Waals interactions in a dielectric with continuously varying dielectric function. Podgornik, Rudi; Parsegian, V. Adrian // Journal of Chemical Physics;10/15/2004, Vol. 121 Issue 15, p7467 

    We formulate and evaluate the van der Waals part of the free energy due to a dielectric profile that varies continuously throughout the space between two interacting bodies. Not considering the work needed to create the inhomogeneous dielectric profile, focusing only on that part of the free...

  • Henry’s law, surface tension, and surface adsorption in dilute binary mixtures. Onuki, Akira // Journal of Chemical Physics;3/28/2009, Vol. 130 Issue 12, p124703 

    Equilibrium properties of dilute binary fluid mixtures are studied in two-phase states on the basis of a Helmholtz free energy including the gradient free energy. The solute partitioning between gas and liquid (Henry’s law) and the surface tension change Δγ are discussed. A...

  • Variational approach for nonpolar solvation analysis. Chen, Zhan; Zhao, Shan; Chun, Jaehun; Thomas, Dennis G.; Baker, Nathan A.; Bates, Peter W.; Wei, G. W. // Journal of Chemical Physics;8/28/2012, Vol. 137 Issue 8, p084101 

    Solvation analysis is one of the most important tasks in chemical and biological modeling. Implicit solvent models are some of the most popular approaches. However, commonly used implicit solvent models rely on unphysical definitions of solvent-solute boundaries. Based on differential geometry,...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics