Dynamical simulations of charged soliton transport in conjugated polymers with the inclusion of electron-electron interactions

We present numerical studies of the transport dynamics of a charged soliton in conjugated polymers under the influence of an external time-dependent electric field. All relevant electron-phonon and electron-electron interactions are nearly fully taken into account by simulating the monomer displacements with classical molecular dynamics (MD) and evolving the wavefunction for the $\pi$ electrons by virtue of the adaptive time-dependent density matrix renormalization group (TDDMRG) simultaneously and nonadiabatically. It is found that after a smooth turn-on of the external electric field the charged soliton is accelerated at first up to a stationary constant velocity as one entity consisting of both the charge and the lattice deformation. An ohmic region (6 mV/$\text{\AA}$ $\leq E_0\leq$ 12 mV/$\text{\AA}$) where the stationary velocity increases linearly with the electric field strength is observed. The relationship between electron-electron interactions and charged soliton transport is also investigated in detail. We find that the dependence of the stationary velocity of a charged soliton on the on-site Coulomb interactions $U$ and the nearest-neighbor interactions $V$ is due to the extent of delocalization of the charged soliton defect.Comment: 25 pages, 15 figure

A modelling evaluation of electromagnetic fields emitted by buried subsea power cables and encountered by marine animals : considerations for marine renewable energy development

Part of this work was supported by the Bureau of Ocean Energy Management (contract number M14PC00009).The expanding marine renewable energy industry will increase the prevalence of electromagnetic fields (EMFs) from power cables in coastal waters. Assessments of environmental impacts are required within licensing/permitting processes and increased prevalence of cables will increase questions concerning EMF emissions and potential cumulative impacts. It is presumed that protecting a cable by burial, may also mitigate EMF emissions and potential impacts on species. Focussing on a bundled high voltage direct current (HVDC) transmission cable, we use computational and interpretive models to explore the influence of cable properties and burial depth on the DC magnetic field (DC-MF) potentially encountered by receptive species. Greater cable pair separation increased the deviations from the geomagnetic field and while deeper burial reduced the deviations, the DC-MF was present at intensities perceivable by receptive species. An animal moving along a cable route may be exposed to variable EMFs due to varied burial depth and that combined with an animal’s position in the water column determines the distance from source and EMF exposure. Modelling contextually realistic scenarios would improve assessments of potential effects. We suggest developers and cable industries make cable properties and energy transmission data available, enabling realistic modelling and environmental assessment supporting future developments.PostprintPeer reviewe

Regenerative Electroless Etching of Silicon

Regenerative electroless etching (ReEtching), described herein for the first time, is a method of producing nanostructured semiconductors in which an oxidant (Ox1) is used as a catalytic agent to facilitate the reaction between a semiconductor and a second oxidant (Ox2) that would be unreactive in the primary reaction. Ox2 is used to regenerate Ox1, which is capable of initiating etching by injecting holes into the semiconductor valence band. Therefore, the extent of reaction is controlled by the amount of Ox2 added, and the rate of reaction is controlled by the injection rate of Ox2. This general strategy is demonstrated specifically for the production of highly luminescent, nanocrystalline porous Si from the reaction of V2O5 in HF(aq) as Ox1 and H2O2(aq) as Ox2 with Si powder and wafers

Low temperature ordering and high (001) orientation of [Fe/Pt/Cu]\u3csub\u3e18\u3c/sub\u3e multilayer films

[Fe/Pt/Cu]18 multilayer films with different Cu thicknesses were prepared on thermally oxidized Si (111) substrates at room temperature using dc- and rf-magnetron sputtering. The magnetic proper-ties and microstructure of [Fe/Pt/Cu]18 multilayer films annealed at various temperatures have been investigated. Compared with pure [Fe/Pt]18 multilayer films low-temperature ordering and (001) ori-entation in the annealed films with Cu volume concentration below 20% can be obtained. During annealing process Cu atoms diffused into FePt lattice which enhanced the diffusion of Fe and Pt atoms and the grain growth of the films. The perpendicular anisotropy and hard magnetic properties of the films deteriorated with increasing Cu volume concentration due to the formation of L10 Fe-CuPt2 phase

Low temperature ordering and high (001) orientation of [Fe/Pt/Cu]\u3csub\u3e18\u3c/sub\u3e multilayer films

[Fe/Pt/Cu]18 multilayer films with different Cu thicknesses were prepared on thermally oxidized Si (111) substrates at room temperature using dc- and rf-magnetron sputtering. The magnetic proper-ties and microstructure of [Fe/Pt/Cu]18 multilayer films annealed at various temperatures have been investigated. Compared with pure [Fe/Pt]18 multilayer films low-temperature ordering and (001) ori-entation in the annealed films with Cu volume concentration below 20% can be obtained. During annealing process Cu atoms diffused into FePt lattice which enhanced the diffusion of Fe and Pt atoms and the grain growth of the films. The perpendicular anisotropy and hard magnetic properties of the films deteriorated with increasing Cu volume concentration due to the formation of L10 Fe-CuPt2 phase

Repulsion and attraction in high Tc superconductors

The influence of repulsion and attraction in high-Tc superconductors to the gap functions is studied. A systematic method is proposed to compute the gap functions using the irreducible representations of the point group. It is found that a pure s-wave superconductivity exists only at very low temperatures, and attractive potentials on the near shells significantly expand the gap functions and increase significantly the critical temperature of superconductivity. A strong on-site repulsion drives the $A_{1g}$ gap into a $B_{1g}$ gap. It is expected that superconductivity with the $A_{1g}$ symmetry reaches a high critical temperature due to the cooperation of the on-site and the next-nearest neighbor attractions.Comment: 4 pages, 5figure

Hydrodynamic Performance of Aquatic Flapping: Efficiency of Underwater Flight in the Manta

The manta is the largest marine organism to swim by dorsoventral oscillation (flapping) of the pectoral fins. The manta has been considered to swim with a high efficiency stroke, but this assertion has not been previously examined. The oscillatory swimming strokes of the manta were examined by detailing the kinematics of the pectoral fin movements swimming over a range of speeds and by analyzing simulations based on computational fluid dynamic potential flow and viscous models. These analyses showed that the fin movements are asymmetrical up- and downstrokes with both spanwise and chordwise waves interposed into the flapping motions. These motions produce complex three-dimensional flow patterns. The net thrust for propulsion was produced from the distal half of the fins. The vortex flow pattern and high propulsive efficiency of 89% were associated with Strouhal numbers within the optimal range (0.2–0.4) for rays swimming at routine and high speeds. Analysis of the swimming pattern of the manta provided a baseline for creation of a bio-inspired underwater vehicle, MantaBot

Genetic Ablation of CD68 Results in Mice with Increased Bone and Dysfunctional Osteoclasts

CD68 is a member of the lysosome associated membrane protein (LAMP) family that is restricted in its expression to cells of the monocyte/macrophage lineage. This lineage restriction includes osteoclasts, and, while previous studies of CD68 in macrophages and dendritic cells have proposed roles in lipid metabolism, phagocytosis, and antigen presentation, the expression and function of CD68 in osteoclasts have not been explored. In this study, we investigated the expression and localization of CD68 in macrophages and osteoclasts in response to the monocyte/macrophage-colony stimulating factor (M-CSF) and the receptor activator of NF-κB ligand (RANKL). We found that M-CSF stimulates CD68 expression and RANKL alters the apparent molecular weight of CD68 as measured by Western immunoblotting. In addition, we explored the significance of CD68 expression in osteoclasts by generating mice that lack expression of CD68. These mice have increased trabecular bone, and in vitro assessment of CD68−/− osteoclasts revealed that, in the absence of CD68, osteoclasts demonstrate an accumulation of intracellular vesicle-like structures, and do not efficiently resorb bone. These findings demonstrate a role for CD68 in the function of osteoclasts, and future studies will determine the mechanistic nature of the defects seen in CD68−/− osteoclasts

Hierarchical Porous Silicon and Porous Silicon Nanowires Produced with Regenerative Electroless Etching (ReEtching) and Metal Assisted Catalytic Etching (MACE)

ReEtching produces nanostructured silicon when a catalytic agent, e.g. dissolved V2O5, is used to facilitate etching between Si and H2O2. H2O2 regenerates dissolved V in a 5+ oxidation state, which initiates etching by injecting holes into the Si valence band. Independent control over the extent of reaction (controlled by the amount of H2O2 added) and the rate of reaction (controlled by the rate at which H2O2 is pumped into the etchant solution) allows us to porosify Si substrates of arbitrary size, shape and doping, including wafers, single-crystal powders, polycrystalline powders, metallurgical grade powder, Si nanowires, Si pillars and Si powders that have been textured with metal-assisted catalytic etching (MACE). Similarly, improved control over the nucleation and etching in MACE is achieved by pumped delivery of reagents. Nanowires are not produced directly by MACE of powders, rather they form when a porosified layers is cleaved by capillary forces or sonication