Reduced-Order Modeling of Subsurface Multi-phase Flow Models Using Deep Residual Recurrent Neural Networks

Transport in Porous Media - We present a reduced-order modeling technique for subsurface multi-phase flow problems building on the recently introduced deep residual recurrent neural network...     

External Classical Field and Damping Effects on a Moving two Level atom in a Cavity Field Interaction with Kerr-like Medium

International Journal of Theoretical Physics - The interaction between a moving two-level atom and squeezed coherent states in the presence of Kerr like medium and an external classical field is...     

Synthesis,structural, spectroscopic,and thermal studies of some transition-metal complexes of a ligand containing the amino mercapto triazole moiety

A new series of transition-metal complexes of Schiff base ligand containing the amino mercapto triazole moiety ( HL ) was prepared. The Schiff base and its metal complexes were elucidated by different spectroscopic techniques (infrared [IR], ¹H nuclear magnetic resonance, UV–Visible, mass, and electron spin resonance [ESR]), and magnetic moment and thermal studies. Quantum chemical calculations have been carried out to study the structure of the ligand and some of its complexes. The IR spectra showed that the ligand is chelated with the metal ion in a neutral, tridentate, and bidentate manner using NOS and NO donors in complexes 1 – 6 , 10–12 , and 7 and 8 , respectively, whereas it behaves in a monobasic tridentate fashion using NOS donor sites in copper(II) nitrate complex ( 9 ). The magnetic moment and electronic spectra data revealed octahedral and square pyramidal geometries for complexes 2 , 11 , 12 , and 5 – 8 and 10 , respectively. However, the other complexes were found to have tetrahedral ( 4 ), trigonal bipyramidal ( 1 and 3 ), and square planar ( 9 ) structures. Thermal studies revealed that the chelates with different crystallized solvents undergo different types of interactions and the decomposition pathway ended with the formation of metal oxygen (MO) and metal sulfur (MS) as final products. The ESR spectrum of copper(II) complex 10 is axial in nature with hyperfine splitting with ²B_1g as a ground state. By contrast, complexes 7 and 8 undergo distortion around the Cu(II) center, affording rhombic ESR spectra. The HL ligand and some of its complexes were screened against two bacterial species. Data showed that complex 12 demonstrated a better antibacterial activity than HL ligand and other chelates.     

One-Pot Synthesis of Chiral N-Arylamines by Combining Biocatalytic Aminations with Buchwald–Hartwig N-Arylation

The combination of biocatalysis and chemo-catalysis increasingly offers chemists access to more diverse chemical architectures. Here, we describe the combination of a toolbox of chiral-amine-producing biocatalysts with a Buchwald–Hartwig cross-coupling reaction, affording a variety of α-chiral aniline derivatives. The use of a surfactant allowed reactions to be performed sequentially in the same flask, preventing the palladium catalyst from being inhibited by the high concentrations of ammonia, salts, or buffers present in the aqueous media in most cases. The methodology was further extended by combining with a dual-enzyme biocatalytic hydrogen-borrowing cascade in one pot to allow for the conversion of a racemic alcohol to a chiral aniline.     

Structural characterization,thermal, DFT,cytotoxicity, and antimetastatic properties of cocaine complexes with La(III), Er(III), and Yb(III)

Research on Chemical Intermediates - Reaction of cocaine (Cn) with Ln(III) chloride salts [where Ln?=?La(III), Er(III), and Yb(III)] afforded complexes of the [Ln(Cn)Cl(OH2)3].2Cl type...     

The (d,p) Reactions below 3.0 MeV

Excitation functions for a number of proton groups for the reactions ²³Na(d, p)²⁴Na and ²⁷Al(d, p)²⁸Al were measured in the energy range E_d = 1.5 to 3.0 MeV. The angular distributions for a number of proton groups were measured at a number of deuteron energies below 3.0 MeV for the three reactions ¹²C(d, p)¹³C, ²³Na(d, p)²⁴Na and ²⁷Al(d, p)²⁸Al. The theory of deuteron stripping reactions at incident energies below the Coulomb barrier has been considered. A closed analytical form for the differential cross-section has been obtained considering three cases according to the incident deuteron and outgoing proton energies. An attempt has been made to fit the angular distribution measurements at a number of deuterons bombarding energies accordingly.     

Photodissociation of iodocyclohexane at 266 and 277 nm: Energy partitioning and curve crossing analysis

The photodissociation dynamics of iodocyclohexane (C₆H₁₁I) at 266 and 277 nm has been investigated by ion velocity imaging technique. The velocity distributions, angular distributions and relative quantum yields are obtained for I (²P_3/2) (denoted I) and I (²P_1/2) (denoted I*) fragments. The energy partitioning shows that about 70% of the available energy goes into the internal excitation of the photofragments for both dissociation channels. From the angular distributions, we found the value of the anisotropy parameter β for I* at the corresponding excitation wavelength was less than that for I. Based on the measured angular distributions and relative quantum yields, the relative fractions of each excited state to the products are determined. The curve crossing probabilities between the ³Q₀ and ¹Q₁ states are determined 0.503 at 266 nm and 0.443 at 277 nm.     

Remarks on the decay of the local energy for semilinear wave equation

In this note, we prove the global well posedness and the local energy decay for semilinear wave equation with small data.     

DC electrical resistivity for CoxNi5/3−xSb1/3Fe1O4 ferrites

The DC electrical resistivity (p) was studied for Co substituted SbNi ferrites as a function of temperature and composition. The experimental results showed that DC resistivity, Curie temperature and activation energies for electrical conduction increase as Co-ion substitution decreases. The DC electrical conductivity increases as temperature increases. The real part of dielectric constant (e') was found to be inversely proportional to the root mean square value of the electrical resistivity.     

Optimization of laser welding of DP/TRIP steel sheets using statistical approach

Generally, the quality of a weld joint is directly influenced by the welding input parameter settings. Selection of proper process parameters is important to obtain the desired weld bead profile and quality. In this research work, numerical and graphical optimization techniques of the CO₂ laser beam welding of dual phase (DP600)/transformation induced plasticity (TRIP700) steel sheets were carried out using response surface methodology (RSM) based on Box–Behnken design. The procedure was established to improve the weld quality, increase the productivity and minimize the total operation cost by considering the welding parameters range of laser power (2–2.2 kW), welding speed (40–50 mm/s) and focus position (?1 to 0 mm). It was found that, RSM can be considered as a powerful tool in experimental welding optimization, even when the experimenter does not have a model for the process. Strong, efficient and low cost weld joints could be achieved using the optimum welding conditions.