Ab-initio investigation of phonon dispersion and anomalies in palladium

In recent years, palladium has proven to be a crucial component for devices ranging from nanotube field effect transistors to advanced hydrogen storage devices. In this work, I examine the phonon dispersion of fcc Pd using first principle calculations based on density functional perturbation theory. While several groups in the past have studied the acoustic properties of palladium, this is the first study to reproduce the phonon dispersion and associated anomaly with high accuracy and no adjustable parameters. In particular, I focus on the Kohn anomaly in the [110] direction.Comment: 19 pages, preprint format, 7 figures, added new figures and discussio

First-principles calculation of positron lifetimes and affinities in perfect and imperfect transition-metal carbides and nitrides

First-principles electronic structure and positron-state calculations for transition-metal carbides and nitrides are performed. Perfect NaCl structures as well as structures with metal or carbon/nitrogen vacancies are considered. The positron affinities and lifetimes are determined. The trends are discussed and the results are compared with recent positron lifetime measurements for group-IV and -V refractory metal carbides. The present analysis suggests, contradictory to an earlier interpretation, that positrons are trapped and annihilated at both carbon and metal vacancies. The concentration of metal vacancies detected by positron annihilation methods is probably very low, below the sensitivity limit of other experimental methods.Peer reviewe

Re-evaluation of the optimum dietary protein level for maximum growth of juvenile barred knifejaw Oplegnathus fasciatus reared in cages

Abstract We determined the optimum dietary protein level in juvenile barred knifejaw Oplegnathus fasciatus in cages. Five semi-purified isocaloric diets were formulated with white fish meal and casein-based diets to contain 35, 40, 45, 50, and 60 % crude protein (CP). Fish with an initial body weight of 7.1 ± 0.06 g (mean ± SD) were randomly distributed into 15 net cages (each size: 60 cm × 40 cm × 90 cm, W × L × H) as groups of 20 fish in triplicates. The fish were fed at apparent satiation level twice a day. After 8 weeks of feeding, the weight gain (WG) of fish fed 45, 50, and 60 % CP diets were significantly higher than those of fish fed 35 and 40 % CP diets. However, there were no significant differences in WG among fish fed 45, 50, and 60 % CP diets. Generally, feed efficiency (FE) and specific growth rate (SGR) showed a similar trend as WG. However, the protein efficiency ratio (PER) was inversely related to dietary protein levels. Energy retention efficiency increased with the increase of dietary protein levels by protein sparing from non-protein energy sources. Blood hematocrit content was not affected by dietary protein levels. However, a significantly lower amount of hemoglobin was found in fish fed 35 % CP than in fish fed 40, 45, 50, and 60 % CP diets. Fish fed 60 % CP showed the lowest survival rate than the fish fed 35, 40, 45, and 50 % CP diets. Broken-line analysis of WG showed the optimum dietary protein level was 45.2 % with 18.8 kJ/g diet for juvenile barred knifejaw. This study has potential implication for the successful cage culture of barred knifejaw

Evaluation of some basic positron-related characteristics of SiC

First-principles electronic structure and positron-state calculations for perfect and defected 3C- and 6H-SiC polytypes of SiC have been performed. Monovacancies and divacancies have been treated; the influence of lattice position and nitrogen impurities have been considered in the former case. Positron affinities and binding energies have been calculated; trends are discussed, and the results compared with recent atomic superposition method calculations. Experimental determination of the electron and positron work functions of the same 6H-SiC allows an assessment of the accuracy of the present first-principles calculations, and to suggest further improvements. © 1996 The American Physical Society.Peer reviewe

Transcultural nursing and malaria: Identifying global health strategies through the lived experiences of nurses from the villages surrounding Bamenda, Cameroon

This study highlights the challenges faced by nurses working in the villages surrounding Bamenda, Cameroon. This is done as a necessary first step towards developing a culturally compelling intervention strategy fro Malaria prevention/treatment, through direct interaction of nurses in villages surrounding Bamenda in Cameroon. Malaria and other diseases pose significant health care problems in remote regions of Cameroon

Calibration and imaging with variable radio sources

Calibration of radio interferometric data is one of the most important steps that are required to produce high dynamic range radio maps with high fidelity. However, naive calibration (inaccurate knowledge of the sky and instruments) leads to the formation of calibration artefacts: the generation of spurious sources and the deformations in the structure of extended sources. A particular class of calibration artefacts, called ghost sources, which results from calibration with incomplete sky models has been extensively studied by Grobler et al. (2014, 2016) and Wijnholds et al. (2016). They developed a framework which can be used to predict the fluxes and positions of ghost sources. This work uses the approach initiated by these authors to study the calibration artefacts and ghost sources that are produced when variable sources are not considered in sky models during calibration. This work investigates both long-term and short-term variability and uses the root mean square (rms) and power spectrum as metrics to evaluate the “quality” of the residual visibilities obtained through calibration. We show that the overestimation and underestimation of source flux density during calibration produces similar but symmetrically opposite results. We show that calibration artefacts from sky model errors are not normally distributed. This prevents them from being removed by employing advanced techniques, such as stacking. The power spectrums measured from the residuals with a variable source was significantly higher than those from residuals without a variable source. This implies advanced calibration techniques and sky model completeness will be required for studies such as probing the Epoch of Reoinization, where we seek to detect faint signals below thermal noise

Addressing flux suppression, radio frequency interference, and selection of optimal solution intervals during radio interferometric calibration

The forthcoming Square Kilometre Array is expected to provide answers to some of the most intriguing questions about our Universe. However, as it is already noticeable from MeerKAT and other precursors, the amounts of data produced by these new instruments are significantly challenging to calibrate and image. Calibration of radio interferometric data is usually biased by incomplete sky models and radio frequency interference (RFI) resulting in calibration artefacts that limit the dynamic range and image fidelity of the resulting images. One of the most noticeable of these artefacts is the formation of spurious sources which causes suppression of real emissions. Fortunately, it has been shown that calibration algorithms employing heavy-tailed likelihood functions are less susceptible to this due to their robustness against outliers. Leveraging on recent developments in the field of complex optimisation, we implement a robust calibration algorithm using a Student’s t likelihood function and Wirtinger derivatives. The new algorithm, dubbed the robust solver, is incorporated as a subroutine into the newly released calibration software package CubiCal. We perform statistical analysis on the distribution of visibilities and provide an insight into the functioning of the robust solver and describe different scenarios where it will improve calibration. We use simulations to show that the robust solver effectively reduces the amount of flux suppressed from unmodelled sources both in direction independent and direction dependent calibration. Furthermore, the robust solver is shown to successfully mitigate the effects of low-level RFI when applied to a simulated and a real VLA dataset. Finally, we demonstrate that there are close links between the amount of flux suppressed from sources, the effects of the RFI and the employed solution interval during radio interferometric calibration. Hence, we investigate the effects of solution intervals and the different factors to consider in order to select adequate solution intervals. Furthermore, we propose a practical brute force method for selecting optimal solution intervals. The proposed method is successfully applied to a VLA dataset

Effects of anharmonic strain on phase stability of epitaxial films and superlattices: applications to noble metals

Epitaxial strain energies of epitaxial films and bulk superlattices are studied via first-principles total energy calculations using the local-density approximation. Anharmonic effects due to large lattice mismatch, beyond the reach of the harmonic elasticity theory, are found to be very important in Cu/Au (lattice mismatch 12%), Cu/Ag (12%) and Ni/Au (15%). We find that is the elastically soft direction for biaxial expansion of Cu and Ni, but it is for large biaxial compression of Cu, Ag, and Au. The stability of superlattices is discussed in terms of the coherency strain and interfacial energies. We find that in phase-separating systems such as Cu-Ag the superlattice formation energies decrease with superlattice period, and the interfacial energy is positive. Superlattices are formed easiest on (001) and hardest on (111) substrates. For ordering systems, such as Cu-Au and Ag-Au, the formation energy of superlattices increases with period, and interfacial energies are negative. These superlattices are formed easiest on (001) or (110) and hardest on (111) substrates. For Ni-Au we find a hybrid behavior: superlattices along and like in phase-separating systems, while for they behave like in ordering systems. Finally, recent experimental results on epitaxial stabilization of disordered Ni-Au and Cu-Ag alloys, immiscible in the bulk form, are explained in terms of destabilization of the phase separated state due to lattice mismatch between the substrate and constituents.Comment: RevTeX galley format, 16 pages, includes 9 EPS figures, to appear in Physical Review