Dispirooxindole-β-Lactams: Synthesis via Staudinger Ketene-Imine Cycloaddition and Biological Evaluation

In this work, we present the first synthesis of dispirooxindole-β-lactams employing optimized methodology of one-pot Staudinger ketene-imine cycloaddition with N-aryl-2-oxo-pyrrolidine-3-carboxylic acids as the ketene source. Spiroconjugation of indoline-2-one with β-lactams ring is considered to be able to provide stabilization and wide scope of functionalization to resulting scaffolds. The dispipooxindoles obtained demonstrated medium cytotoxicity in the MTT test on A549, MCF7, HEK293, and VA13 cell lines, and one of the compounds demonstrated antibacterial activity against E. coli strain LPTD.     

uBench: exposing the impact of CUDA block geometry in terms of performance

The choice of thread-block size and shape is one of the most important user decisions when a parallel problem is written for any CUDA architecture. The reason is that thread-block geometry has a significant impact on the global performance of the program. Unfortunately, the programmer has not enough information about the subtle interactions between this choice of parameters and the underlying hardware. This paper presents uBench, a complete suite of micro-benchmarks, in order to explore the impact on performance of (1) the thread-block geometry choice criteria, and (2) the GPU hardware resources and configurations. Each micro-benchmark has been designed to be as simple as possible to focus on a single effect derived from the hardware and thread-block parameter choice. As an example of the capabilities of this benchmark suite, this paper shows an experimental evaluation and comparison of Fermi and Kepler architectures. Our study reveals that, in spite of the new hardware details introduced by Kepler, the principles underlying the block geometry selection criteria are similar for both architectures.     

Piezoelectric effect in GaAs nanowires

The anomalous piezoelectric effect in GaAs nanowires was detected (the piezoelectric module d ₃₃ ≈ 26 pC/N). This result can be explained by the dominant content of the phase with the wurtzite-type crystal structure in GaAs nanowires and an increased pressing force on the contact layer.     

Making a mesh router/gateway from a smartphone: Is that a practical solution?

This paper aims at answering the question whether it is practical to build a mesh-phone or not. A mesh-phone is a smartphone acting as a mesh router, i.e. either actively participating in the process of packet forwarding towards a mesh gateway, or acting itself as a gateway toward the Internet. Technical aspects of the mesh-phone implementation, such as design constraints and implementation details, are addressed. The technical feasibility is validated by describing the implementation of a prototype of the mesh-enabled phone over the Openmoko^TM open platform. Besides technical feasibility also convenience of the addressed solution is analyzed in terms of the consumed power, and some “energy-saving” related enhancements are suggested to be applied to future user’s devices.     

Stabilized space–time computation of wind-turbine rotor aerodynamics

We show how we use the Deforming-Spatial-Domain/Stabilized Space–Time (DSD/SST) formulation for accurate 3D computation of the aerodynamics of a wind-turbine rotor. As the test case, we use the NREL 5MW offshore baseline wind-turbine rotor. This class of computational problems are rather challenging, because they involve large Reynolds numbers and rotating turbulent flows, and computing the correct torque requires an accurate and meticulous numerical approach. We compute the problem with both the original version of the DSD/SST formulation and a recently introduced version with an advanced turbulence model. The DSD/SST formulation with the advanced turbulence model is a space–time version of the residual-based variational multiscale method. We compare our results to those reported recently, which were obtained with the residual-based variational multiscale Arbitrary Lagrangian–Eulerian method using NURBS for spatial discretization and which we take as the reference solution. While the original DSD/SST formulation yields torque values not far from the reference solution, the DSD/SST formulation with the variational multiscale turbulence model yields torque values very close to the reference solution.     

A weighted mean excess function approach to the estimation of Weibull-type tails

A new class of estimators for the Weibull-tail coefficient is proposed. The estimators are based on linear combinations of log-spacings of the mean excess function evaluated at high levels. The asymptotic distribution of this new class of estimators is derived under some mild conditions on the weight function and a second order condition on the tail behavior. The finite sample properties of some estimators obtained with important special cases of the weight function are examined with a small simulation experiment.     

On Homogeneous Nucleation of Dislocation Loops in Nanocrystalline Materials

In this article, we readdress the question of homogeneous nucleation of dislocation loops in the context of nanocrystalline materials. In this case, the commonly adopted assumption of an infinite medium is no longer valid, and image forces on dislocations must be accounted for in the analysis. An additional energy term associated with the presence of finite boundaries may act to promote homogeneous nucleation and growth of dislocation loops. Based on a simplified consideration of a circular dislocation loop in a spherical nanoparticle or nanosized grain in a polycrystal, energy calculations are carried out to estimate the activation energy for homogeneous nucleation of a dislocation loop in such a system. Two different cases are considered: (1) a single nanoparticle and (2) a grain in a polycrystalline nanomaterial. Based on simulations for aluminum, it is shown that this mechanism may be plausible in both cases, albeit only for small particles and grains in the nanometer range.     

Modelling and Characterisation of the Texture Development in the Fusion Zone of An Austenitic Weld

The relation between texture and microstructure and the macroscopic solidification direction has been investigated for an austenitic 316L stainless steel weld. The fusion zone has been characterised by EBSD. Texture development has been simulated by thermal Finite Element Analysis coupled with a simple model of preferential <100>‐oriented solidification following the solidification direction. The thermal part is validated by means of thermocouple measurements at several locations on the specimen. The predicted texture is in very good agreement with the measured one.     

Forming Nanocrystalline Structures in Metal Particle Impact

Grain refinement by plastic deformation is becoming increasingly popular as a way of producing metals with improved properties, such as higher mechanical strength. Surface treatment techniques in which a metallic substrate is bombarded with metallic particles can generate nanocrystalline layers in the impact zone. Understanding the physical mechanisms underlying this grain refinement is crucial for achieving an improvement of existing experimental processes. In this article, we propose a numerical framework combining finite element (FE) simulations with a dislocation-based material model to predict the evolution of the microstructure under particle impact. A single particle normally impacting on a metallic substrate was simulated at different initial velocities. The simulations were compared with previously reported numerical and experimental data. The results indicate that our model accurately captures the grain refinement in the impact zone for a broad range of velocities. This approach provides valuable information on the formation of nanocrystalline layers in both the substrate and the impacting particle. Its potential applications include processes involving surface treatment by high velocity particles, such as shot peening, surface mechanical attrition treatment, kinetic metallization, cold spray, etc.