Nonlocal interactions and particle number fluctuations in a solvable model

We present an extension of Bardeen's model for the formation of Cooper pairs that includes a schematic representation of a nonlocal interaction. The model is exactly solvable and we investigate its Hartree-Fock, BCS and Hartree-Fock-Bogoliubov approximations focusing upon the role and significance of the particle number dispersions.     

Enantioselective heterogeneous catalytic production of alpha-amino acids

Summary In the present paper the heterogeneous catalytic preparation of alpha-amino acids by hydrogenation of the dehydroamino acids catalyzed by palladium is described. Enantiomeric excess of up to 26% was achieved when the hydrogenation was carried out in ethanol at 0.5 MPa, 298 K with substrate concentration kept at 80 mmol L^-1, 50 mol% cinchonidine as modified and triethylamine as addictive.</o:p>     

Estimation of Temperatures in Geothermal Wells During Circulation and Shut-in in the Presence of Lost Circulation

The estimation of temperatures in and around a geothermal well during circulation, and during shut-in conditions in the presence of lost circulation is presented in this work. Estimated temperatures are compared with temperature logs measured during drilling stoppages. Temperatures were estimatted using a computer code specifically developed to account for the transient convective heat transfer due to lost circulation in the rock surrounding a well. This feature of the present code is important since wellbore simulators normally consider the heat transfer process in the rock as a merely conductive problem. The code is capable of accounting for these losses at any point in the well and application was made to the study of two Mexican geothermal wells(well LV-3 from the Las Tres Vírgenes field and well EAZ-2 from the Los Azufres field). The results show that the effect of lost circulation on the shut-in temperature profiles can be modelled satisfactorily. Research is under way to improve the present methodology.     

The role of induced current density in Steroelectronic effects: Perlin effect

The normal and reverse Perlin effect is usually explained by the redistribution of electron density produced by hyperconjugative mechanisms, which increases the electron population within axial or equatorial proton in normal or reverse effect, respectively. Here an alternative explanation for the Perlin effect is presented on the basis of the topology of the induced current density, which directly determines the nuclear magnetic shielding. Current densities around the C? H bond critical point and intra‐atomic and interatomic contributions to the magnetic shielding explain the observed Perlin effect. The balance between intra‐atomic and interatomic contributions determines the difference in the total atomic shielding. Normal Perlin effect is dominated by intra‐atomic part, whereas reverse effect is dominated by interatomic contribution. © 2015 Wiley Periodicals, Inc.     

Scatter search for minimizing weighted tardiness in a single machine scheduling with setups

Single machine scheduling problems have many real-life applications and may be hard to solve due to the particular characteristics of some production environments. In this paper, we tackle the single machine scheduling problem with sequence-dependent setup times with the objective of minimizing the weighted tardiness. To solve this problem, we propose a scatter search algorithm which uses path relinking in its core. This algorithm is enhanced with some procedures to speed-up the neighbors’ evaluation and with some diversification and intensification techniques, the latter taking some elements from iterated local search. We conducted an experimental study across a well-known set of instances to analyze the contribution of each component to the overall performance of the algorithm, as well as to compare our proposal with the state-of-the-art metaheuristics, obtaining competitive results. We also propose a new benchmark with larger and more challenging instances and provide the first results for them.     

On the Pseudolinear Crossing Number

A drawing of a graph is pseudolinear if there is a pseudoline arrangement such that each pseudoline contains exactly one edge of the drawing. The pseudolinear crossing number of a graph G is the minimum number of pairwise crossings of edges in a pseudolinear drawing of G. We establish several facts on the pseudolinear crossing number, including its computational complexity and its relationship to the usual crossing number and to the rectilinear crossing number. This investigation was motivated by open questions and issues raised by Marcus Schaefer in his comprehensive survey of the many variants of the crossing number of a graph.     

Spectral density estimates with partial symmetries and an application to Bahri–Lions-type results

We are concerned with the existence of infinitely many solutions for the problem \(-\Delta u=|u|^{p-2}u+f\) in \(\Omega \), \(u=u_0\) on \(\partial \Omega \), where \(\Omega \) is a bounded domain in \(\mathbb {R}^N\), \(N\ge 3\). This can be seen as a perturbation of the problem with \(f=0\) and \(u_0=0\), which is odd in u. If \(\Omega \) is invariant with respect to a closed strict subgroup of O(N), then we prove infinite existence for all functions f and \(u_0\) in certain spaces of invariant functions for a larger range of exponents p than known before. In order to achieve this, we prove Lieb–Cwikel–Rosenbljum-type bounds for invariant potentials on \(\Omega \), employing improved Sobolev embeddings for spaces of invariant functions.     

The Development of Appropriate Upscaling Procedures

Permeability upscaling should be carried out with careful attention to the nature of rock heterogeneities. While there are many large-scale features which must be taken into account, there are also important heterogeneities at the small-scale. Many sedimentary structures contain laminae at the mm–cm scale, and beds at the m-scale, which give rise to strong contrasts in permeability. We use a 2D model derived from a photo-panel of an aeolian outcrop, along with permeability measurements from a North Sea oil field, to demonstrate the effects of small-scale heterogeneity. This model is similar in size to a typical cell of a reservoir geological model. We take imaginary probe and core plug measurements from the model, average them, and compare these with the effective permeability for the model computed from a finite difference flow calculation. Although this procedure is standard practice, we show that it can lead to biased estimates of the permeabilities used in flow simulation. As an alternative we suggest using models of representative beds, and performing flow simulation to calculate effective permeabilities for both single-phase and two-phase flow.     

Preparation of a Series of 5-Methyl-3-(substituted)-[1,2,4]triazines

Procedures for the synthesis of thirty-six 5-methyl-3-(substituted)-[1,2,4]triazines have been described. These compounds were evaluated for antagonism at metabotropic glutamate receptor subtype 5 (mGluR5). Two compounds, 5b and 3c, were determined to be low micromolar inhibitors of mGluR5.