Novel and Highly Effective Method for the Trimethylsilylation of Alcohols and Phenols with Hexamethyldisilazane (HMDS), Catalyzed by I2 Generated in situ Using Fe(NO3)3⋅9 H2O/NaI under Heterogeneous and Neutral Conditions

Structurally diverse alcohols and phenols were trimethylsilylated in a clean and efficient reaction with hexamethyldisilazane (HMDS) based on the use of I₂ generated in situ from Fe(NO₃)₃?9 H₂O/NaI. The reaction occurs very rapid in good‐to‐high yield in CH₂Cl₂ at room temperature, and the use of toxic and corrosive molecular I₂ is avoided.     

High efficiency solar cells using quantum interferences

In this paper, we propose a solar cell model that absorbs specific band of sunlight and investigate the effect of noise–induced quantum coherence in enhancing the output power of this cell. We numerically demonstrate that such induced coherence can increase the maximum output power from a nano structured solar cell by more than 25% as compared to the same system with no coherence. We also study the influence of increasing the bandwidth of absorption on the solar cell power and numerically show that in spite of decrease in output power due to enhancement of thermalisation loss, presence of quantum coherence effect still increases the output power of solar cell compared to non-coherence case.     

Demagnetizing fields of crystallites and a method for measuring the thermodynamic fields of quasi-single-crystal and polycrystalline thin YBa2Cu3O7 − x disks

The role of the demagnetizing fields of crystallites in HTSC samples is studied. An increase in the crystallite size is shown to suppress the intra-and intercrystalline critical currents of the sample in lower fields. The demagnetizing fields of crystallites are shown to be one of the main causes of the fact that the Bean model is invalid for HTSC samples. A method is proposed to measure the thermodynamic field of a superconductor; this method allows the first thermodynamic critical magnetic fields of the sample and its crystallites and “subcrystallites” to be measured with a high accuracy. The first thermodynamic critical magnetic fields are used to estimate the critical current density J _c of the sample, crystallites, and subcrystallites.     

Highly enhanced second-order nonlinear susceptibilities in tailored GaN-AlGaN-AlN quantum well structures

A tailoring proposal for design of the strained quantum well structures, optimized with respect to the intersubband resonant second-order nonlinear properties, is presented in this article. A genetic-algorithm-based method is used in order to obtain the optimal potential shape, doping concentration and location in strained GaN-AlGaN-AlN quantum wells, and the structures are analyzed by a numerical solution of the Schrödinger-Poisson self-consistent method. In general form two types of asymmetric structures with remarkable results are obtained with different resonant frequencies, and in both cases results show a considerably high enhancement in the magnitude of the second-order nonlinear susceptibilities in higher resonant frequencies in comparison with a single quantum well structure with the same well width (5.02×10⁻⁸ m/V at to 2.9×10⁻⁵ m/V at and 2.43×10⁻⁵ m/V at ). The optimized structures exhibit considerable absorption coefficient and electroabsorption properties due to high dipole transition matrix element, high dopant concentration and reasonable Fermi level.     

Unsteady natural convection in an enclosure with vertical wavy walls

In this paper, unsteady heat transfer and fluid flow characteristics in an enclosure are investigated. The enclosure consists of two vertical wavy and two horizontal straight walls. The top and the bottom walls are considered adiabatic. Two wavy walls are kept isothermal and their boundaries are approximated by a cosine function. Governing equations including continuity, momentum and energy were discretized using the finite-volume method and solved by SIMPLE method in curvilinear coordinate. Simulation was carried out for a range of Grashof number Gr = 10³–10⁶, Prandtl number Pr = 0.5–4.0, wave ratio A (defined by amplitude/wavelength) 0.0–0.35 and aspect ratio W (defined by average width/wavelength) 0.5–1.0. Streamlines and isothermal lines are presented to corresponding flow and thermal fields. Local and average Nusselt number distributions are presented. The obtained results are in good agreement with available numerical and experimental data.     

Targeted L1-Regularization and Joint Modeling of Neural Networks for Causal Inference

The calculation of the Augmented Inverse Probability Weighting (AIPW) estimator of the Average Treatment Effect (ATE) is carried out in two steps, where in the first step, the treatment and outcome are modeled, and in the second step, the predictions are inserted into the AIPW estimator. The model misspecification in the first step has led researchers to utilize Machine Learning algorithms instead of parametric algorithms. However, the existence of strong confounders and/or Instrumental Variables (IVs) can lead the complex ML algorithms to provide perfect predictions for the treatment model which can violate the positivity assumption and elevate the variance of AIPW estimators. Thus the complexity of ML algorithms must be controlled to avoid perfect predictions for the treatment model while still learning the relationship between the confounders and the treatment and outcome. We use two NN architectures with an L1-regularization on specific NN parameters and investigate how their certain hyperparameters should be tuned in the presence of confounders and IVs to achieve a low bias-variance tradeoff for ATE estimators such as AIPW estimator. Through simulation results, we will provide recommendations as to how NNs can be employed for ATE estimation.     

A Novel Application of N‐Bromosaccharin as a Chemoselective and Efficient Oxidative Reagent for Oxidation of Thiols to Disulfides under Microwave Irradiation

Chemoselective oxidation of thiols to their corresponding disulfides with N‐bromosaccharin in a very short time and with high yields in dichloromathane under microwave irradiation conditions are described.     

Efficient Trimethylsilylation of Alcohols and Phenols with HMDS in the Presence of a Catalytic Amount of 1,3‐Dibromo‐5,5‐Dimethylhydantoin (DBDMH) as a Safe and Cheap Industrial Chemical

1,3‐Dibromo‐5,5‐dimethylhydantoin (DBDMH) is found to be an effective catalyst for trimethylsilylation various alcohols and phenols with hexamethyldisilazane (HMDS) in dichloromethane at room temperature.     

Measurement of Some Thermodynamic and Acoustic Properties of Binary Solutions of N,N-Dimethylformamide with 1-Alkanols at 30°C and Comparison with Theories

Densities, and ultrasonic velocities, uof binary mixtures of N,N-dimethylformamide (DMF) + methanol, + ethanol, + 1-propanol, + 1-butanol, + 1-pentanol, and + 1-hexanol have been measured at 30°C. The ultrasonic velocities have been compared with values calculated from the free-length theory ( FLT) due to Jacobson and collision-factor theory ( CFT) due to Schaaffs. The measured data are used to compute adiabatic compressibility (k _s), deviation in adiabatic compressibility (k _s), intermolecular free length (L _f), molar volume (V _m), and available volume (V _a). The excess molar volume ( V _m ^E) and excess free length (L _f ^E) are also evaluated. For all systems, these results were satisfactorily correlated by the Redlich–Kister polynomial. These parameters are used to discuss dissociation of the self-associated 1-alkanol molecules and the formation of aggregates between unlike molecules through C=O...H–O hydrogen bonding.