A second eigenvalue bound for the Dirichlet Schroedinger operator

Let $\lambda_i(\Omega,V)$ be the $i$th eigenvalue of the Schr\"odinger operator with Dirichlet boundary conditions on a bounded domain $\Omega \subset \R^n$ and with the positive potential $V$. Following the spirit of the Payne-P\'olya-Weinberger conjecture and under some convexity assumptions on the spherically rearranged potential $V_\star$, we prove that $\lambda_2(\Omega,V) \le \lambda_2(S_1,V_\star)$. Here $S_1$ denotes the ball, centered at the origin, that satisfies the condition $\lambda_1(\Omega,V) = \lambda_1(S_1,V_\star)$. Further we prove under the same convexity assumptions on a spherically symmetric potential $V$, that $\lambda_2(B_R, V) / \lambda_1(B_R, V)$ decreases when the radius $R$ of the ball $B_R$ increases. We conclude with several results about the first two eigenvalues of the Laplace operator with respect to a measure of Gaussian or inverted Gaussian density

On a classical spectral optimization problem in linear elasticity

We consider a classical shape optimization problem for the eigenvalues of elliptic operators with homogeneous boundary conditions on domains in the $N$-dimensional Euclidean space. We survey recent results concerning the analytic dependence of the elementary symmetric functions of the eigenvalues upon domain perturbation and the role of balls as critical points of such functions subject to volume constraint. Our discussion concerns Dirichlet and buckling-type problems for polyharmonic operators, the Neumann and the intermediate problems for the biharmonic operator, the Lam\'{e} and the Reissner-Mindlin systems.Comment: To appear in the proceedings of the workshop `New Trends in Shape Optimization', Friedrich-Alexander Universit\"{a}t Erlangen-Nuremberg, 23-27 September 201

Segue Between Favorable and Unfavorable Solvation

Solvation of small and large clusters are studied by simulation, considering a range of solvent-solute attractive energy strengths. Over a wide range of conditions, both for solvation in the Lennard-Jones liquid and in the SPC model of water, it is shown that the mean solvent density varies linearly with changes in solvent-solute adhesion or attractive energy strength. This behavior is understood from the perspective of Weeks' theory of solvation [Ann. Rev. Phys. Chem. 2002, 53, 533] and supports theories based upon that perspective.Comment: 8 pages, 7 figure

Interaction of paraffin wax gels with ethylene/vinyl acetate copolymers

The commercial grades of ethylene/vinyl acetate (EVA) co-polymers have found application as pour point" depressants in refined fuels. This study focuses on their behavior as additives to crude oils, where the intent is to reduce the yield stress of the gels that can form when the oil exits the reservoir. The model crude oils consisted of 4 wt % wax in decane. At EVA dosage levels of similar to200 ppm, the reduction in yield stress is 3 orders of magnitude for the C-36 wax, whereas the reduction is 1 order of magnitude for C-32 and only 3-fold for the C-28 wax. This decrease in efficiency with decreasing wax carbon number indicates that the EVA materials would not provide an adequate reduction in yield stress to ensure against gelation in pipeline transport. Neutron scattering studies, as a function of temperature, of the self-assembly of the EVA co-polymers show dramatically different aggregated structures in decane. The EVA with the lowest ethylene content shows scattering that increases with a power-law exponent of similar to1.6. This scattering behavior is typical for weakly aggregating polymer gels. In contrast, the EVA with the higher ethylene content shows a transition from surface scattering (found for strongly segregated objects) to a plateau whose height is dependent on temperature. Micrographs of the wax crystal morphology indicate that the ethylene-poor EVA alters the wax crystal habit at higher concentrations more effectively than does its higher-ethylene-content counterpart, whereas the latter EVA grade seems to form more wax crystals at low concentrations

Predictors of measles vaccination coverage among children 6-59 months of age in the Democratic Republic of the Congo.

BackgroundMeasles is a significant contributor to child mortality in the Democratic Republic of the Congo (DRC), despite routine immunization programs and supplementary immunization activities (SIA). Further, national immunization coverage levels may hide disparities among certain groups of children, making effective measles control even more challenging. This study describes measles vaccination coverage and reporting methods and identifies predictors of vaccination among children participating in the 2013-2014 DRC Demographic and Health Survey (DHS).MethodsWe examined vaccination coverage of 6947 children aged 6-59 months. A multivariate logistic regression model was used to identify predictors of vaccination among children reporting vaccination via dated card in order to identify least reached children. We also assessed spatial distribution of vaccination report type by rural versus urban residence.ResultsUrban children with educated mothers were more likely to be vaccinated (OR = 4.1, 95% CI: 1.6, 10.7) versus children of mothers with no education, as were children in wealthier rural families (OR = 2.9, 95% CI: 1.9, 4.4). At the provincial level, urban areas more frequently reported vaccination via dated card than rural areas.ConclusionsResults indicate that, while the overall coverage level of 70% is too low, socioeconomic and geographic disparities also exist which could make some children even less likely to be vaccinated. Dated records of measles vaccination must be increased, and groups of children with the greatest need should be targeted. As access to routine vaccination services is limited in DRC, identifying and targeting under-reached children should be a strategic means of increasing country-wide effective measles control

Coulomb plus power-law potentials in quantum mechanics

We study the discrete spectrum of the Hamiltonian H = -Delta + V(r) for the Coulomb plus power-law potential V(r)=-1/r+ beta sgn(q)r^q, where beta > 0, q > -2 and q \ne 0. We show by envelope theory that the discrete eigenvalues E_{n\ell} of H may be approximated by the semiclassical expression E_{n\ell}(q) \approx min_{r>0}\{1/r^2-1/(mu r)+ sgn(q) beta(nu r)^q}. Values of mu and nu are prescribed which yield upper and lower bounds. Accurate upper bounds are also obtained by use of a trial function of the form, psi(r)= r^{\ell+1}e^{-(xr)^{q}}. We give detailed results for V(r) = -1/r + beta r^q, q = 0.5, 1, 2 for n=1, \ell=0,1,2, along with comparison eigenvalues found by direct numerical methods.Comment: 11 pages, 3 figure

Self Consistent Molecular Field Theory for Packing in Classical Liquids

Building on a quasi-chemical formulation of solution theory, this paper proposes a self consistent molecular field theory for packing problems in classical liquids, and tests the theoretical predictions for the excess chemical potential of the hard sphere fluid. Results are given for the self consistent molecular fields obtained, and for the probabilities of occupancy of a molecular observation volume. For this system, the excess chemical potential predicted is as accurate as the most accurate prior theories, particularly the scaled particle (Percus-Yevick compressibility) theory. It is argued that the present approach is particularly simple, and should provide a basis for a molecular-scale description of more complex solutions.Comment: 6 pages and 5 figure

Analyticity and criticality results for the eigenvalues of the biharmonic operator

We consider the eigenvalues of the biharmonic operator subject to several homogeneous boundary conditions (Dirichlet, Neumann, Navier, Steklov). We show that simple eigenvalues and elementary symmetric functions of multiple eigenvalues are real analytic, and provide Hadamard-type formulas for the corresponding shape derivatives. After recalling the known results in shape optimization, we prove that balls are always critical domains under volume constraint.Comment: To appear on the proceedings of the conference "Geometric Properties for Parabolic and Elliptic PDE's - 4th Italian-Japanese Workshop" held in Palinuro (Italy), May 25-29, 201

Hydration dynamics at fluorinated protein surfaces

Water-protein interactions dictate many processes crucial to protein function including folding, dynamics, interactions with other biomolecules, and enzymatic catalysis. Here we examine the effect of surface fluorination on water-protein interactions. Modification of designed coiled-coil proteins by incorporation of 5,5,5-trifluoroleucine or (4S)-2-amino-4-methylhexanoic acid enables systematic examination of the effects of side-chain volume and fluorination on solvation dynamics. Using ultrafast fluorescence spectroscopy, we find that fluorinated side chains exert electrostatic drag on neighboring water molecules, slowing water motion at the protein surface