A Simple Three-Parameter Model Potential For Diatomic Systems: From Weakly and Strongly Bound Molecules to Metastable Molecular Ions

Based on a simplest molecular orbital theory of H$_{2}^{+}$, a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly wide range of internuclear distances. More than 200 weakly and strongly bound diatomics have been studied, including neutral and singly-charged diatomics (e.g., H$_{2}$, Li$_{2}$, LiH, Cd$_{2}$, Na$_{2}^{+}$, and RbH$^{-}$), long-range bound diatomics (e.g., NaAr, CdNe, He$_{2}$, CaHe, SrHe, and BaHe), metastable molecular dications (e.g., BeH$^{++}$, AlH$^{++}$, Mg$_{2}^{++}$, and LiBa$^{++}$), and molecular trications (e.g., YHe$^{+++}$ and ScHe$^{+++}$).Comment: 5 pages, 4 figures, accepted by Physical Review Letter

Stark effect on the exciton spectra of vertically coupled quantum dots: horizontal field orientation and non-aligned dots

We study the effect of an electric-field on an electron-hole pair in an asymmetric system of vertically coupled self-assembled quantum dots taking into account their non-perfect alignment. We show that the non-perfect alignment does not qualitatively influence the exciton Stark effect for the electric field applied in the growth direction, but can be detected by application of a perpendicular electric field. We demonstrate that the direction of the shift between the axes of non-aligned dots can be detected by rotation of a weak electric field within the plane of confinement. Already for a nearly perfect alignment the two-lowest energy bright exciton states possess antilocked extrema as function of the orientation angle of the horizontal field which appear when the field is parallel to the direction of the shift between the dot centers

Higher-order conservative interpolation between control-volume meshes: Application to advection and multiphase flow problems with dynamic mesh adaptivity

© 2016 .A general, higher-order, conservative and bounded interpolation for the dynamic and adaptive meshing of control-volume fields dual to continuous and discontinuous finite element representations is presented. Existing techniques such as node-wise interpolation are not conservative and do not readily generalise to discontinuous fields, whilst conservative methods such as Grandy interpolation are often too diffusive. The new method uses control-volume Galerkin projection to interpolate between control-volume fields. Bounded solutions are ensured by using a post-interpolation diffusive correction. Example applications of the method to interface capturing during advection and also to the modelling of multiphase porous media flow are presented to demonstrate the generality and robustness of the approach

Determination of Fluorescence Polarization and Absorption Anisotropy in Molecular Complexes Having Threefold Rotational Symmetry

The current work concerns investigation of the polarization properties of complex molecular ensembles exhibiting threefold (C3) rotational symmetry, particularly with regard to the interplay between their structure and dynamics of internal energy transfer. We assume that the molecules or chromophores in such complexes possess strongly overlapped spectra both for absorption and fluorescence. Such trimeric structures are widely found in biological preparations, as for example the trimer of C-phycocyanin (C-PC). Higher order aggregates, e.g. hex-amers and three-hexamer rods, are also investigated and compared with the trimer case. The theory addresses both steady-state and 8-pulse excitation and establishes some links between them. Monochromophoric, bichro-mophoric and trichromophoric molecular complexes are individually examined. For steady-state excitation, analytical formulas are reported for the degree of fluorescence polarization and absorption anisotropy. It is shown that the polarization is dependent on the chromophore inclination relative to the symmetry axis, the relative efficiencies of absorption and fluorescence by chromophores of different spectral types, and the rates of energy equilibration. To assess the validity of the theory, it has been applied to C-PC aggregates. Here it was found that different C-PC aggregates provide practically identical polarization response. For S-pulse excitation we give analytical formulas for determination of the fluorescence depolarization, and also the depolarization associated with absorption recovery, both for a monochromophoric trimer and some particular cases of bichromophoric trimer. More complicated systems are analyzed by computer modeling. Thus it transpires that the initial polarization anisotropy r(t = 0) takes the value 0.4 for all considered aggregates; the long-time limit r(t →∞) has about the same value as is associated with steady-state excitation. We also show that with steady-state excitation the degree of fluorescence polarization is practically equal for various C3 aggregates of C-PC, and that the major factor determining the polarization is the chromophore orientation relative to the symmetry axis

Effects of tai chi on postural control during dual-task stair negotiation in knee osteoarthritis : a randomised controlled trial protocol

Stair ascent and descent require complex integration between sensory and motor systems; individuals with knee osteoarthritis (KOA) have an elevated risk for falls and fall injuries, which may be in part due to poor dynamic postural control during locomotion. Tai chi exercise has been shown to reduce fall risks in the ageing population and is recommended as one of the non-pharmocological therapies for people with KOA. However, neuromuscular mechanisms underlying the benefits of tai chi for persons with KOA are not clearly understood. Postural control deficits in performing a primary motor task may be more pronounced when required to simultaneously attend to a cognitive task. This single-blind, parallel design randomised controlled trial (RCT) aims to evaluate the effects of a 12-week tai chi programme versus balance and postural control training on neuromechanical characteristics during dual-task stair negotiation. Sixty-six participants with KOA will be randomised into either tai chi or balance and postural control training, each at 60 min per session, twice weekly for 12 weeks. Assessed at baseline and 12 weeks (ie, postintervention), the primary outcomes are attention cost and dynamic postural stability during dual-task stair negotiation. Secondary outcomes include balance and proprioception, foot clearances, self-reported symptoms and function. A telephone follow-up to assess symptoms and function will be conducted at 20 weeks. The findings will help determine whether tai chi is beneficial on dynamic stability and in reducing fall risks in older adults with KOA patients in community. Ethics approval was obtained from the Ethics Committee of the Affiliated Rehabilitation Hospital of Fujian University of Traditional Chinese Medicine (#2018KY-006-1). Study findings will be disseminated through presentations at scientific conferences or publications in peer-reviewed journals. ChiCTR1800018028. [Abstract copyright: © Author(s) (or their employer(s)) 2020. Re-use permitted under CC BY-NC. No commercial re-use. See rights and permissions. Published by BMJ.

Infra-Red Plasmonic Sensors

Plasmonic sensors exploiting the localized surface plasmon resonance (LSPR) of noble metal nanoparticles are common in the visual spectrum. However, bio-sensors near the infra-red (NIR) windows (600–900 nm and 1000–1400 nm) are of interest, as in these regions the absorption coefficients of water, melanin deoxyglobin, and hemoglobin are all low. The first part of this paper reviews the work that has been undertaken using gold (Au) and silver (Ag) particles in metal enhanced fluorescence (MEF) in the NIR. Despite this success, there are limitations, as there is only a narrow band in the visual and NIR where losses are low for traditional plasmonic materials. Further, noble metals are not compatible with standard silicon manufacturing processes, making it challenging to produce on-chip integrated plasmonic sensors with Au or Ag. Therefore, it is desirable to use different materials for plasmonic chemical and biological sensing, that are foundry-compatible with silicon (Si) and germanium (Ge). One material that has received significant attention is highly-doped Ge, which starts to exhibit metallic properties at a wavelength as short as 6 μm. This is discussed in the second part of the paper and the results of recent analysis are included