On the limit Sobolev regularity for Dirichlet and Neumann problems on Lipschitz domains

We construct a bounded C¹ domain Ω in for which the regularity for the Dirichlet and Neumann problems for the Laplacian cannot be improved, that is, there exists f in such that the solution of in Ω and either on or on is contained in but not in for any . An analogous result holds for Sobolev spaces with .     

‐Theory for Schrödinger systems

In this article, we study for the ‐realization of the vector‐valued Schrödinger operator . Using a noncommutative version of the Dore–Venni theorem due to Monniaux and Prüss, we prove that the ‐realization of , defined on the intersection of the natural domains of the differential and multiplication operators which form , generates a strongly continuous contraction semigroup on . We also study additional properties of the semigroup such as extension to L¹, positivity, ultracontractivity and prove that the generator has compact resolvent.     

Evolution and properties of antiphase boundaries in silicate minerals

Experimental and observational evidence is reviewed for the mechanisms and kinetics of antiphase domain coarsening in silicate minerals. The expected rate law has the form (domain size)ⁿ ≈ annealing time, but the ideal value of n=2 has been observed in only one of three cases. Values of n≈8 or 10 are interpreted as implying adsorption of impurity atoms onto the antiphase boundaries. Diffusion of these impurities can then provide the rate determining step for boundary migration. Local ordering at the boundaries can also provide some stabilising influence, though this does not appear to affect the coarsening rate law. If the stabilisation is sufficient it might result in the development of an incommensurate superstructure, either as a stable phase or as a metastable phase under non-equilibrium conditions. The effective width of these boundaries appears to be ～ 25°, or approximately two unit cells, and their maximum effective interaction length appears to be ～ 4 times this width.     

Time domain simulation of vortex-induced vibrations in stationary and oscillating flows

This paper focuses on the further development of a previously published semi-empirical method for time domain simulation of vortex-induced vibrations (VIV). A new hydrodynamic damping formulation is given, and the necessary coefficients are found from experimental data. It is shown that the new model predicts the observed hydrodynamic damping in still water and for cross-flow oscillations in stationary incoming flow with high accuracy. Next, the excitation force model, which is one component of the total hydrodynamic force model, is optimized by simulating the VIV response of an elastic cylinder in a series of experiments with stationary flow. The optimization is performed by repeating the simulations until the best possible agreement with the experiments is found. The optimized model is then applied to simulate the cross-flow VIV of an elastic cylinder in oscillating flow, without introducing any changes to the hydrodynamic force modeling. By comparison with experiment, it is shown that the model predicts the frequency content, mode and amplitude of vibration with a high level of realism, and the amplitude modulations occurring at high Keulegan–Carpenter numbers are well captured. The model is also utilized to investigate the effect of increasing the maximum reduced velocity and the mass ratio of the elastic cylinder in oscillating flow. Simulations show that complex response patterns with multiple modes and frequencies appear when the maximum reduced velocity is increased. If, however, the mass ratio is increased by a factor of 5, a single mode dominates. This illustrates that, in oscillating flows, the mass ratio is important in determining the mode participation at high maximum reduced velocities.     

THE GENERALIZED RIEMANN PROBLEM FOR A SCALAR NONCONVEX COMBUSTION MODEL-THE PERTURBATION ON INITIAL BINDING ENERGY

In this article,we study the generalized Riemann problem for a scalar nonconvex Chapman-Jouguet combustion model in a neighborhood of the origin (t ＞ 0) on the (x,t) plane.We focus our attention to the...     

Phosphoinositide-binding interface proteins involved in shaping cell membranes

The mechanism by which cell and cell membrane shapes are created has long been a subject of great interest. Among the phosphoinositide-binding proteins, a group of proteins that can change the shape of membranes, in addition to the phosphoinositide-binding ability, has been found. These proteins, which contain membrane-deforming domains such as the BAR, EFC/F-BAR, and the IMD/I-BAR domains, led to inward-invaginated tubes or outward protrusions of the membrane, resulting in a variety of membrane shapes. Furthermore, these proteins not only bind to phosphoinositide, but also to the N-WASP/WAVE complex and the actin polymerization machinery, which generates a driving force to shape the membranes.     

A finite volume scheme preserving extremum principle for convection–diffusion equations on polygonal meshes

We propose a nonlinear finite volume scheme for convection–diffusion equation on polygonal meshes and prove that the discrete solution of the scheme satisfies the discrete extremum principle. The approximation of diffusive flux is based on an adaptive approach of choosing stencil in the construction of discrete normal flux, and the approximation of convection flux is based on the second‐order upwind method with proper slope limiter. Our scheme is locally conservative and has only cell‐centered unknowns. Numerical results show that our scheme can preserve discrete extremum principle and has almost second‐order accuracy. Copyright © 2017 John Wiley & Sons, Ltd.     

Rivality index neighbourhood algorithm with density and distances weighted schemes for the building of robust QSAR classification models with high reliable applicability domain

The rivality index (RI) is a normalized distance measurement between a molecule and their first nearest neighbours providing a robust prediction of the activity of a molecule based on the known activity of their nearest neighbours. Negative values of the RI describe molecules that would be correctly classified by a statistic algorithm and, vice versa, positive values of this index describe those molecules detected as outliers by the classification algorithms. In this paper, we have described a classification algorithm based on the RI and we have proposed four weighted schemes (kernels) for its calculation based on the measuring of different characteristics of the neighbourhood of molecules for each molecule of the dataset at established values of the threshold of neighbours. The results obtained have demonstrated that the proposed classification algorithm, based on the RI, generates more reliable and robust classification models than many of the more used and well-known machine learning algorithms. These results have been validated and corroborated by using 20 balanced and unbalanced benchmark datasets of different sizes and modelability. The classification models generated provide valuable information about the molecules of the dataset, the applicability domain of the models and the reliability of the predictions.