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Potential flow solvers represent an appealing alternative for the simulation of non-viscous subsonic flows. In order to deliver accurate results, such techniques require prescribing explicitly the so called Kutta condition, as well as adding a special treatment on the “wake” of the body. The wake is traditionally modelled by introducing a gap in the CFD mesh, which requires an often laborious meshing work. The novelty of the proposed work is to embed the wake within the CFD domain. The approach has obvious advantages in the context of aeroelastic optimization, where the position of the wake may change due to evolutionary steps of the geometry. This work presents a simple, yet effective, method for the imposition of the embedded wake boundary condition. The presented method preserves the possibility of employing iterative techniques in the solution of the linear problems which stem out of the discretization. Validation and verification of the solver are performed for a NACA 0012 airfoil.

Oxygen deficiency (O-vacancy) contributes to the photoefficiency of TiO2 semiconductors by generating electron rich active sites. In this paper, the dispersion of O-vacancies in both bulk and surface of anatase and rutile phases was computationally investigated. The results showed that the O-vacancies dispersed in single- and double-cluster forms in the anatase and rutile phases, respectively, in both bulk and surface. The distribution of the O-vacancies was (roughly) homogeneous in anatase, and heterogenous in rutile bulk. The O-vacancy formation energy, width of defect band, and charge distribution indicated the overlap of the defect states in the rutile phase and thus eased the formation of clusters. Removal of the first and the second oxygen atoms from the rutile surface took less energy than the anatase one, which resulted in a higher deficiency concentration on the rutile surface. However, these deficiencies formed one active site per unit cell of rutile. On the other hand, the first O-vacancy formed on the surface and the second one formed in the subsurface of anatase (per unit cell). Supported by previous studies, we argue that this distribution of O-vacancies in anatase (surface and subsurface) could potentially create more active sites on its surface.

The aim of this work was to investigate the possibility of doping copper sulfide Cu2S with selected fifth-group elements, potentially having a positive effect on the thermoelectric properties of the resulting materials. For the selected model structures, theoretical calculations and an analysis of the electronic structure and changes in the enthalpy of formation due to doping were performed using the WIEN2k package employing the Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method within density functional theory (DFT) formalism. Polycrystalline materials with the nominal composition of Cu32S15X1 (X = P, As, Sb, Bi) were synthesized in quartz ampoules, then sintered using the spark plasma sintering (SPS) technique and “SPS melting” method. The chemical and phase compositions of the obtained sinters were studied by X-Ray diffraction (XRD) and scanning electron microscopy (SEM). Additionally, investigations of thermoelectric properties, i.e., electrical conductivity, Seebeck coefficient and thermal conductivity in the temperature range 300–920 K, were performed. The results of this study indicate that only phosphorus is successfully incorporated into the Cu₂S structure.

In response to the aging population, the Department for Professional Development in the Nursing Division at the Israeli Ministry of Health has invested significant resources in training registered nurses for post-basic certification in the field of geriatrics. However, little is known about how the nurses implement the scope of practice in the field and how they maximize their full potential following the training. To assess whether nurses' full potential is maximized in geriatric acute and long-term geriatric care, and community settings in Israel. A quantitative, cross-sectional study. The study population is a convenience sample of registered nurses who completed post-basic certification in geriatric care (n = 287). The participants completed a self-administered questionnaire addressing socio-demographic and occupational characteristics, implementation of the scope of practice, and a professional satisfaction questionnaire. Baseline demographic variables were summarized using means and counts, with frequency counts and percentages used for the scope of practice. A one-way ANOVA was utilized to examine the differences between the workplace and the scope of practice. Chi-square was used to examine practice types and the workplace. Nurses in all surveyed geriatric settings reported average to high overall performance in independent decision-making activities and delegated duties. The majority (66%) reported very high satisfaction with the completion of the post basic certification education However overall performance differed significantly between the different geriatric settings. Most of the nurses with a post-basic geriatric certification are satisfied with their scope of practice, feel valued by colleagues and managers, and are able to practice independently within their professional scope. This can have a positive impact on the care of the older adult population. Administrators should ensure that nurses with a post-basic geriatric certification are able to maximize their scope of practice. Specifically, we recommend nurse managers to leverage the results of this study and advocate for nurses to fulfill their full potential in their scope of practice.

In this study, using the first-principles calculation we presented a new field of materials concerning the transparent conducting halide perovskites CsGeX 3 (X = Cl, I, Br) in the phases: ideal cubic, S-cubic, D-cubic, and tetragonal. The study aimed to explore and investigate the most mechanical stable state by calculating the elastic constant C ij . Our findings indicated that the preferential ground state mechanical stability is the non-magnetic state. On analysis of optical properties, we found high optical transmission practically ~ 80%. Electrical conductivity is also high, and the figure of merit is close to ~ 1. Based on the results obtained from theoretical DFT calculation, it is proposed that these materials may be an appropriate candidate for photovoltaic and other optoelectronic device applications. As they have high coefficients, low reflection, and strong optical conductivity at the UV–Vis range which are crucial for designing a transparent conducting material for possible technological applications.

Diversity climate, defined as an organizational climate characterized by openness towards and appreciation of individual differences, has been shown to enhance outcomes in culturally diverse teams. To date, it remains unclear which processes are responsible for these findings. This paper presents two quantitative studies ( n  = 91; 246) that identify trust and openness in workgroup communication as possible mediators. We replicate earlier findings that perceived diversity climate positively relates to job satisfaction, sense of inclusion, work group identification and knowledge sharing in teams. In study 1, trust is shown to mediate the effects of perceived diversity climate on team members’ sense of inclusion. In study 2, trust mediates the relationship between perceived diversity climate and workgroup identification and openness mediates its relationship with knowledge sharing.

In this paper, the prediction of the unsteady flow field over typical high aspect ratio (AR) wings in the transonic flow regime but below the sonic Mach number is of interest. The methodology adopted is a computational approach based on the transonic small disturbance unsteady potential equation. It is shown that the higher AR wings generally have a higher lift coefficient as well as a higher lift-to-drag ratio. With NASA’s common research model (CRM) wing, there is an increase in maximum lift with increasing AR while the induced drag is almost the same. There is also an optimum sweep angle, which is different for each angle-of-attack so that variable sweep lifting surfaces may be designed to provide optimum solutions. The computed flutter speeds indicate an expected reduction with increasing AR.

In this study, based on the augmented plane wave method (FP-LAPW) as implemented in the Wien2k code, we investigated the structural, mechanical, magnetoelectronic, and thermoelectric properties of Full-Heusler Rb2ZrZ (Z = C, Si, Ge, Sn) compounds. The results of optimization showed that all Rb2ZrZ alloys are stable in the Hg 2 CuTi-type structure. The calculation of elastic constants and other mechanical parameters was performed, which has shown that all compounds are stable and have a ductile nature. The analysis of the electronic structure using the GGA approximation and improved it by Tran Blaha modified Beck-Johnson confirm that the studied compounds have a half-metallic behavior with a total magnetic moment of 2 μ B . Using the semi-classical Boltzmann transport theory within the constant relaxation time approximation and Slack’s equation, we obtained the thermoelectric properties and lattice thermal conductivity, respectively. Rb 2 ZrZ compounds have moderate thermal conductivity, a great power factor, and a high Seebeck coefficient at room temperature. The maximum values of the figure of merit were found at 900 K to be 0.52, 0.62, 0.67, and 0.59 for Rb 2 ZrC, Rb 2 ZrSi, Rb 2 ZrGe, and Rb 2 ZrSn, respectively, which predicts the possibility of using these materials in thermoelectric applications in the future.

The aim of this study was to determine the location of Li atoms in Mg 2 Si structure, and verify the influence of Li dopant on the transport properties of obtained thermoelectric materials. The results of theoretical studies of the electronic band structure (full potential linearized augmented plane wave method) in Li-doped Mg 2 Si are presented. Theoretical calculations indicate that only in the case when Li is located in the Mg position, the samples will have p -type conduction. To confirm the theoretical predictions, a series of samples with nominal composition Mg 2− x Li x Si ( x  = 0–0.5) were prepared using the spark plasma sintering (SPS) method. Structural and phase composition analyses were carried out by x-ray and neutron powder diffraction, as well as scanning electron microscopy. Neutron diffraction studies confirmed that the lithium atoms substitute magnesium in the Mg 2 Si structure. The investigations of the influence of Li dopant on the transport properties, i.e. electrical conductivity, the Seebeck coefficient and the thermal conductivity, were carried out in a temperature range from 340 K to 720 K. Carrier concentration was measured with Hall method. The positive values of the Seebeck coefficient and Hall coefficient indicate that all examined samples show p -type conductivity. On the basis of the experimental data, the temperature dependencies of the thermoelectric figure of merit ZT were calculated.

In the context of a full-potential orbital-free approach for the modeling of multi-atomic systems we investigated the dependence of the cohesive energies and bulk elastic modules of the large nanosystems Cn (n is up to 4096 atoms), Aln (n is up to 23,328 atoms) and tin (n is up to 2160 atoms). It was shown that the cohesive energies and elastic modules tend towards bulk crystal values at n ≈ 3000 for Cn systems, at n ≈ 1500 for Tin and at n ≈ 20,000 for Aln. The execution time for one energy iteration for Ti23328 was only 23 min.