Cationic surface segregation in doped LaMnO<Subscript>3</Subscript>

The surface cation chemistry in (La, A)MnO₃ (A = Ca, Sr and Ba) is investigated using first-principles thermodynamics. We find that, all three dopants tend to segregate to the surface over a wide range of T– \( p_{{{\text{O}}_{2} }} \) conditions and the tendency for segregation increases with the increase in the dopant cationic size. Moving toward the low oxygen pressure, dopants prefer to remain in the surface regions accompanied by the appropriate number of charge compensating oxygen vacancies. The situation when dopants remain in the bulk regions tends to occur close to the thermodynamic conditions that also favor the decomposition of LaMnO₃. The present work serves as an important step toward understanding of factors governing the cationic surface segregation in doped LaMnO₃ and opens a pathway to study other important chemical environments (such as water- and CO₂-containing air) which are crucially given the fact that the ‘real-world’ air enhances cationic segregation.     

The migration and formation energies of N-interstitials near [001] Fe surfaces: an ab initio study

Using density functional theory, the mechanism of surface segregation of N to the [001] Fe surface was studied. The formation and migration energies were decomposed into chemical bonding and strain energy components. While the segregation energy was determined to be ?1.1 eV, the bonding and strain energy components for segregation were ?0.5 and ?0.6 eV, respectively. The results indicate that strain energy relaxation plays a major role in surface segregation, and that there is approximately a 7-layer transient region, which separates bulk and surface environments. The role of the strain energy on interstitial migration barriers was also critically evaluated.     

Dietary Components Affect the Plasma and Tissue Levels of Lutein in Aged Rats with Lutein Deficiency—A Repeated Gavage and Dietary Study

The aim of this study was to find out the influence of selected dietary components on plasma and tissue response of repeated micellar and dietary lutein in aged rats with lutein deficiency. In repeated (16 d) gavage study, micellar lutein was co‐ingested with either phosphatidylcholine (PC), lyso‐phosphatidylcholine (lysoPC), β‐carotene, dietary fiber or vegetable fat (3% soybean oil). In dietary study, rats were fed (4 wk) semi‐synthetic diet either with lutein + PC, lutein + dietary fiber or B. alba (lutein source) + PC. The post‐prandial plasma and tissue response of lutein was measured by HPLC. Results showed that micellar fat, PC and lysoPC significantly (P ≤ 0.05) increased the lutein levels in plasma (31.1%, 26.8%, and 34.9%), liver (27.4%, 29.5%, and 8.6%), and eyes (63.5%, 90.2%, and 86%) compared to the control group (group gavaged micelles with no dietary components studied). Similarly, dietary study showed an enhanced plasma, liver, and eye lutein levels by 44.8%, 24.1%, and 42.0% (lutein + PC group) and 51.7%, 39.8%, and 31.7% (B.alba + PC group), respectively compared to control. The activity of antioxidant enzymes in plasma and liver of both the studies were also affected compared to control. Result reveals, that PC enhance the intestinal absorption of both micellar and dietary lutein which is either in free or bound form with food matrices in aged rats with lutein deficiency. Hence, PC at a concentration used in this study can be considered to improve the lutein bioavailability in lutein deficiency.     

Comparison of Performance of Packet Scheduling Algorithms in LTE-A HetNets

The concept of usage of heterogeneous networks (HetNets) is about improving the LTE system performance by increasing the capacity and coverage of the Macro cell. In this paper, a performance comparison of various packet scheduling algorithms such as Proportional Fair, Maximum Largest Weighted Delay First and Exponential/Proportional Fair is studied in detail in the HetNets environment. The key performance indicators such as throughput, packet loss ratio, delay and fairness are considered to judge the performance of the scheduling algorithms. Various strategies such as increasing the number of Pico cells in the cell edge were used in the simulation for the performance evaluation study. The results achieved through various simulations show that adding Pico cells to the existing Macros enhances the overall system performance in addition to the various scheduling algorithms implemented in Macros. For reader’s convenience, various types of graphs have been used to represent the simulation results to better understand the performance metrics of various scheduling algorithms. Simulation results shows that overall system gain has increased because of adding Picos and thereby providing better coverage in the cell edge areas and thereby increasing the capacity of the network to provide better quality of service.     

Multishell Carrier Transport in Multiwalled Carbon Nanotubes

Understanding carrier transport in carbon nanotubes (CNTs) and their networks is important for harnessing CNTs for device applications. Here, we report multishell carrier transport in individual multiwalled CNTs, and films of randomly dispersed multiwalled CNTs, as a function of electric field and temperature. Electrical measurements and first-principles density functional theory calculations indicate transport across CNT shells. Intershell conduction occurs across an energy barrier range of 60-250 meV in individual CNTs, and ~ 60 meV in CNT networks. In both cases, the conductance behavior can be explained based upon field-enhanced carrier injection and defect-enhanced transport, as described by the Poole-Frenkel model.     

The study of charge transport through organic thin films: mechanism, tools and applications

In this paper, we discuss the current state of organic and molecular-scale electronics, some experimental methods used to characterize charge transport through molecular junctions and some theoretical models (superexchange and barrier tunnelling models) used to explain experimental results. Junctions incorporating self-assembled monolayers of organic molecules - and, in particular, junctions with mercury-drop electrodes - are described in detail, as are the issues of irreproducibility associated with such junctions (due, in part, to defects at the metal-molecule interface).     

On the uniformity of film thickness on rotating spherical substrates on a planar work holder

Curves for the uniformity in film thickness on spherical substrates are drawn for various geometries. The optimum source-to-substrate height for maximum uniformity of the film thickness is determined. These data are approximated to achieve uniform thickness on a large number of small planar substrates loaded on a large spherical substrate holder, the appropriate geometry being selected on the basis of the radius of curvature of the substrate holder.     

Quantitative methods for regulatory control layer selection

In this paper, we apply the self-optimizing control ideas to find optimal controlled variables in the regulatory layer. The regulatory layer is designed to facilitate stable operation, to regulate and to keep the operation in the linear operating range. Its performance is here quantified using the state drift criterion and the method is evaluated on two distillation column case studies with one, two or more closed loops.     

CdSe/CdTe interface band gaps and band offsets calculated using spin–orbit and self-energy corrections

We performed ab initio calculations of the electronic structures of bulk CdSe and CdTe, and their interface band alignments on the CdSe in-plane lattice parameters. For this, we employed the LDA-1/2 self-energy correction scheme [L.G. Ferreira, M. Marques, L.K. Teles, Phys. Rev. B 78 (2008) 125116] to obtain corrected band gaps and band offsets. Our calculations include the spin–orbit effects for the bulk cases, which have shown to be of importance for the equilibrium systems and are possibly degraded in these strained semiconductors. Therefore, the SO showed reduced importance for the band alignment of this particular system. Moreover, the electronic structure calculated along the transition region across the CdSe/CdTe interface shows an interesting non-monotonic variation of the band gap in the range 0.8–1.8 eV, which may enhance the absorption of light for corresponding frequencies at the interface between these two materials in photovoltaic applications.