Sufficient conditions for continuous dependence in nonlinear hyperelasticity

Sufficient conditions are derived for the continuous dependence of C ¹-solutions of the mixed boundary value problem (with dead loading) upon the given data, within the framework of nonlinear hyperelasticity.The second author was a visitor at the Department of Mathematics, University of Strathclyde, Glasgow, Scotland, at the time that the revised version was prepared. Author's present address: Department of Mathematics, Plymouth Polytechnic, Plymouth, England.     

Size extensivity of the direct optimized effective potential method

We investigate the size extensivity of the direct optimized effective potential procedure of Yang and Wu [Phys. Rev. Lett. 89, 143002 (2002)]. The choice of reference potential within the finite basis construction of the local Kohn-Sham potential can lead to a method that is not size extensive. Such a situation is encountered when one employs the Fermi-Amaldi potential, which is often used to enforce the correct asymptotic behavior of the exact exchange-correlation potential. The size extensivity error with the Fermi-Amaldi reference potential is shown to behave linearly with the number of electrons in the limit of an infinite number of well separated monomers. In practice, the error tends to be rather small and rapidly approaches the limiting linear behavior. Moreover, with a flexible enough potential basis set, the error can be decreased significantly. We also consider one possible reference potential, constructed from the van Leeuwen-Baerends potential, which provides a size extensive implementation while also enforcing the correct asymptotic behavior.     

Heterogeneous multicomponent nucleation theorems for the analysis of nanoclusters

In this paper we present a new form of the nucleation theorems applicable to heterogeneous nucleation. These heterogeneous nucleation theorems allow, for the first time, direct determination of properties of nanoclusters formed on pre-existing particles from measured heterogeneous nucleation probabilities. The theorems can be used to analyze the size (first theorem) and the energetics (second theorem) of heterogeneous clusters independent of any specific nucleation model. We apply the first theorem to the study of small water and n-propanol clusters formed at the surface of 8 nm silver particles. According to the experiments the size of the two-component critical clusters is found to be below 90 molecules, and only less than 20 molecules for pure water, less than 300 molecules for pure n-propanol. These values are drastically smaller than the ones predicted by the classical nucleation theory, which clearly indicates that the nucleating clusters are too small to be quantitatively described using a macroscopic theory.     

Catalytic α-allylation of unprotected amino acid esters

Catalytic α-allylation of unprotected amino acid esters to produce α-quaternary α-allyl amino acid esters is reported. Catalytic loadings of picolinaldehyde and Ni(II) salts induce preferential reactivity at the enolizable α-carbon of amino acid esters over the free nitrogen with electrophilic palladium π-allyl complexes. Fourteen examples are given. Additionally, the use of chiral ligands to access enantioenriched α-quaternary amino acid esters from racemic precursors is demonstrated by the enantioselective synthesis of α-allyl phenylalanine methyl ester from racemic phenylalanine methyl ester.     

Cremona maps defined by monomials

Cremona maps defined by monomials of degree 2 are thoroughly analyzed and classified via integer arithmetic and graph combinatorics. In particular, the structure of the inverse map to such a monomial Cremona map is made very explicit as is the degree of its monomial defining coordinates. As a special case, one proves that any monomial Cremona map of degree 2 has inverse of degree 2 if and only if it is an involution up to permutation in the source and in the target. This statement is subsumed in a recent result of L. Pirio and F. Russo, but the proof is entirely different and holds in all characteristics. One unveils a close relationship binding together the normality of a monomial ideal, monomial Cremona maps and Hilbert bases of polyhedral cones.     

Quantitative characterization of critical nanoclusters nucleated on large single molecules

First order phase transitions involve nucleation, formation of nanoscale regions of a new phase within a metastable parent phase. Using the heterogeneous nucleation theorem we show how clusters formed by nucleation on single molecules evolve from the gas phase and determine the critical size beyond which condensation starts to form aerosol particles. Our experiments reveal the activation of molecules into droplets to happen via formation of critical clusters substantially larger than the seed molecule. The nanosized critical clusters were found to be well predicted by the Kelvin-Thomson relation pointing directly to the key step in the phase transition.     

Electrodynamics of Abrikosov vortices: the field theoretical formulation

Electrodynamic phenomena related to vortices in superconductors have been studied since their prediction by Abrikosov, and seem to hold no fundamental mysteries. However, most of the effects are treated separately, with no guiding principles.We demonstrate that the relativistic vortex worldsheet in spacetime is the object that naturally conveys all electric and magnetic information, for which we obtain simple and concise equations. Breaking Lorentz invariance leads to down-to-earth Abrikosov vortices, and special limits of these equations include for instance dynamic Meissner screening and the AC Josephson relation. On a deeper level, we explore the electrodynamics of two-form sources in the absence of electric monopoles, in which the electromagnetic field strength itself acquires the characteristics of a gauge field. This novel framework leaves room for unexpected surprises.