Comparison between standard and counterpoise-corrected optimization using some hydrogen and halogen bonded systems

The effect of the counterpoise correction on the geometries, stabilization energies, and vibrational harmonic frequencies of some hydrogen- and halogen-bonded systems (B?=?CH₃CN,?HCN,?NH₃,?N₂,?CO,?H₂O,?H₂S,?PH₃;?HX?=?HF,?HCl,?HBr,?HCN,?HCF₃; XY?=?Br₂,?BrCl,?BrF,?Cl₂,?ClF,?F₂) has been analysed at the MP2 level of theory using the popular 6-311++G(d,p) basis set. The optimized B?···?H and B?···?X bond lengths increase with counterpoise (CP) correction. In some cases standard values and in other cases CP-corrected values are close to experimental data. The absolute values of complexation energies of CP-corrected structures are higher than standard by inclusion of BSSE correction. The effect of CP correction on intermolecular bond lengths and complexation energies of B?···?XY series are usually higher than B?···?HX. Also, this effect is higher for H₂S and PH₃ groups. The CP correction changes the vibrational harmonic frequencies by 0–100%. The changes are frequently lower than 20% for frequencies higher than 300?cm^?1.     

Brownian motion and thermophoresis effects on unsteady stagnation point flow of Eyring-Powell nanofluid: a Galerkin approach

This article concerns the analysis of an unsteady stagnation point flow of Eyring-Powell nanofluid over a stretching sheet. The influence of thermophoresis and Brownian motion is also considered in transport equations. The nonlinear ODE set is obtained from the governing nonlinear equations via suitable transformations. The numerical experiments are performed using the Galerkin scheme. A tabular form comparison analysis of outcomes attained via the Galerkin approach and numerical scheme (RK-4) is available to show the credibility of the Galerkin method. The numerical exploration is carried out for various governing parameters, namely, Brownian motion, steadiness, thermophoresis, stretching ratio, velocity slip, concentration slip, thermal slip, and fluid parameters, and Hartmann, Prandtl and Schmidt numbers. The velocity of fluid enhances with an increase in fluid and magnetic parameters for the case of opposing, but the behavior is reversed for assisting cases. The Brownian motion and thermophoresis parameters cause an increase in temperature for both cases (assisting and opposing). The Brownian motion parameter provides a drop-in concentration while an increase is noticed for the thermophoresis parameter. All the outcomes and the behavior of emerging parameters are illustrated graphically. The comparison analysis and graphical plots endorse the appropriateness of the Galerkin method. It is concluded that said method could be extended to other problems of a complex nature.     

Efficient model order reduction for dynamic systems with local nonlinearities

In the nonlinear structural analysis, the nonlinear effects are commonly localized and the rest of the structure behaves in a linear manner. Considering this fact, this research work proposes a harmonic balance solution in order to determine the nonlinear response of the structures. The solution is simplified by using an exact dynamic reduction along with the modal expansion technique. This novel approach, which is applicable to both discrete and continuous systems, converts the system equations of motion in each harmonic to a small set of nonlinear algebraic equations. The full set of system equations is reduced to a discrete system with a few generalized degrees of freedom (DOFs) confined to the localized nonlinear regions. The resultant reduced order model is shown to be accurate enough for determining the periodic response. To demonstrate the capability of the proposed method, numerical case studies for continuous and discrete systems, including systems with internal resonance, have been studied and the outcomes are validated with benchmark studies. In addition, the method is applied in the identification process of an experimental test setup with unknown frictional support parameters, and the results are presented and discussed.     

Robust adaptive synchronization for a general class of uncertain chaotic systems with application to Chua's circuit

The synchronization problem for a general class of uncertain chaotic systems is addressed. The underlying systems may be perturbed by unknown time-varying parameters, unstructured uncertainties, and external disturbances. Meanwhile, the time-varying parameters and disturbances are neither required to be periodic nor to have known bounds. Assuming the disturbances are L(2) signals, an adaptive control incorporated with H(∞) control technique is employed to construct a robust adaptive synchronization algorithm. Then, removing such assumption, a novel adaptive-based method is developed to achieve the goal of synchronization. In order to demonstrate the effectiveness of the proposed algorithms, such methods are applied to solve the synchronization problem of uncertain chaotic Chua's circuits.     

Study of the ν2 + ν3 and 2ν6 infrared bands of CH379Br and CH381Br

The rotational analysis of the ν₂ + ν₃ band, centered around 1912 cm^?1, and of both components 2ν₆^±2 and 2ν₆⁰, centered about 1912 and 1904 cm^?1, respectively, has been carried out from a Fourier transform spectrum having a resolution limit of 0.005 cm^?1. A standard deviation of about 0.001 cm^?1 was obtained for about 750 lines of the unperturbed 2ν₆^±2 component for both isotopic species. The ν₂ + ν₃ band, stronger than 2ν₆^±2, is perturbed by two resonances: a Coriolis resonance with the very weak ν₃ + ν₅ band, no line of which has been observed, and an anharmonic resonance with 2ν₆⁰, only four K subbands of which have been observed. For both isotopic species, a standard deviation of about 0.002 cm^?1 has been obtained for about 750 lines of ν₂ + ν₃ and 2ν₆⁰.     

The use of an atomizer for chemical pleurodesis

Summary An atomizer had been designed that could create an aerosol of a liquid with high viscosity. The amount of additional driving gas that had to be used was very low. In a cooperation with the University Hospital in Zurich the atomizer was miniaturized and used for treating six patients.     

Gauge field corrections to 11-dimensional supergravity via dimensional reduction

Using the fact that eleven-dimensional supergravity yields type IIA supergravity under dimensional reduction on a circle, we determine higher-derivative terms of 11-dimensional supergravity including the \( R^4 \), \( ({\partial {F_4}})^2 R^2 \) and \( ({\partial {F_4}})^4 \) terms.     

Real‐Time and Broadband Terahertz Wave Scattering Manipulation via Polarization‐Insensitive Conformal Graphene‐Based Coding Metasurfaces

Here, for the first time, the real‐time and broadband manipulation of terahertz (THz) waves are acquired by introducing a multifunctional graphene‐based coding metasurface (GBCM). The designed structure consists of subwavelength patterned graphene units whose operational statuses can be dynamically switched between two digital states of “0” and “1”. By engineering the spatial distribution of chemical potentials across the GBCM, various scattering patterns having single, two, four, and numerous reflection beams are elaborately achieved just within one planar structure. To compute the far‐field pattern of GBCM, an inverse discrete Fourier transform (IDFT) is established, providing a fast and efficient design method. The proposed GBCM provides a low reflection bellow ?10 dB over a broad frequency band ranging from 1 THz to 1.9 THz. In addition, the metasurface retains its low reflection behavior in a wide range of incident wave angles for both TE and TM polarizations. According to conformal invariance of graphene sheets, the stealth property of GBCM is well preserved while wrapping around a curved object. The proposed technique of real‐time scattering manipulation leads to multifunctional THz devices, opening new routes contributing to numerous applications such as imaging and stealth technology.     

Intelligent driving in traffic systems with partial lane discipline

It is a most common notion in traffic theory that driving in lanes and keeping lane changes to a minimum leads to smooth and laminar traffic flow, and hence to increased traffic capacity. On the other hand, there exist persistent vehicular traffic systems that are characterised by habitual disregarding of lane markings, and partial or complete loss of laminar traffic flow. Here, we explore the stability of such systems through a microscopic traffic flow model, where the degree of lane-discipline is taken as a variable, represented by the fraction of drivers that disregard lane markings completely. The results show that lane-free traffic may win over completely ordered traffic at high densities, and that partially ordered traffic leads to the poorest overall flow, while not considering the crash probability. Partial order in a lane-free system is similar to partial disorder in a lane-disciplined system in that both lead to decreased traffic capacity. This could explain the reason why standard enforcement methods, which rely on continuous increase of order, often fail to incur order to lane-free traffic systems. The results also provide an insight into the cooperative phenomena in open systems with self-driven particles.     

Assessment model of classroom acoustics criteria for enhancing speech intelligibility and learning quality

In this paper, a new classroom acoustics assessment model (CAAM) based on analytic hierarchy process (AHP) for enhancing speech intelligibility and learning quality is proposed. The model is based on five main criteria that affect the learning process and related to classrooms acoustical properties. These include classroom specifications, noise sources inside and outside the classroom, teaching style, and vocal effort. The priority and weights of these major criteria along with their alternatives are identified using the views of students, staff, education consultants, and expertise by using a developed questionnaire, and the AHP methodology. This model can be considered as a helpful framework enabling universities decision makers to take effective decisions on classroom acoustics treatment issues. It also provides colleges’ higher authorities the suitable guidelines that help for determining necessary requirements that help to raise the quality and efficiency of the educational environment; in order to reach an excellent learning environment; and hence increasing students learning outcomes.