Bogoliubov theory of a Bose-Einstein condensate of rigid rotor molecules

We consider a BEC of rigid rotor molecules confined to quasi-2d through harmonic trapping. The molecules are subjected to an external electric field which polarizes the gas, and the molecules interact via dipole-dipole interactions. We present a description of the ground state and low-energy excitations of the system including an analysis of the mean-field energy, polarization, and stability. Under large electric fields the gas becomes fully polarized and we reproduce a well known density-wave instability which arises in polar BECs. Under smaller applied electric fields the gas develops an in-plane polarization leading to the emergence of a new global instability as the molecules “tilt”. The character of these instabilities is clarified by means of momentum-space density-density structure factors. A peak at zero momentum in the spin-spin structure factor for the in-plane component of the polarization indicates that the tilt instability is a global phonon-like instability.

Anomalous dielectric behaviors of electrolyte solutions confined in graphene oxide nanochannels

Dielectric behavior of salt aqueous solutions with various concentration in pristine and oxide graphene nanochannels has been investigated by means of molecular dynamic simulations. The motivation in performing this integrated set of simulations was to provide deep insight into the interaction between the size of the enclosure and the oxidation degree of the membrane sheets on the dielectric properties. It was shown that the dielectric permittivity of both aqueous and NaCl solution in confined phase exhibits an anisotropic behavior. The in-plane component decreases with the increase of the concentration of NaCl solution while an increase of the out-of-plane dielectric is observed and these out-of-plane components exhibit a non-monotonous trend and thus exist a critical concentration of NaCl solution with 0.2 mol/L and 0.4 mol/L for both pristine and oxide graphene nanochannels, respectively. This peculiar dielectric behavior results from the addition of ions that significantly perturb the hydrogen bonding network of the confined system, and hence leading to a fluctuation of dipolar of water molecules and dielectric permittivity.

Magnetic Shielding Study of Bonding and Aromaticity in Corannulene and Coronene

Bonding and aromaticity in the bowl-shaped C5v and planar D5h geometries of corannulene and the planar D6h geometry of coronene are investigated using 3D isosurfaces and 2D contour plots of the isotropic magnetic shielding σiso(r) and, for planar geometries, of the out-of-plane component of the shielding tensor σzz(r). Corannulene and coronene both feature conjoined shielded “doughnuts” around a peripheral six-membered carbon ring, suggesting strong bonding interactions and aromatic stability; a deshielded region inside the hub ring of corannulene indicates that this ring is antiaromatic, more so in planar corannulene. The switch from the planar to the bowl-shaped geometry of corannulene is shown to enhance both bonding and the local aromaticities of the five- and six-membered rings; these factors, in addition to ring strain reduction, favour the bowl-shaped geometry. The most and least shielded bonds in both corannulene and coronene turn out to be the spoke and hub bonds, respectively. The higher π electron activity over spoke bonds in planar corannulene and coronene is supported by σzz(r) contour plots in planes 1 Å above the respective molecular planes; these findings about spoke bonds are somewhat unexpected, given that ring current studies indicate next to no currents over spoke bonds.

Out-of-plane trion emission in monolayer WSe2 revealed by whispering gallery modes of dielectric microresonators

The manipulation of light emitted by two-dimensional semiconductors grounds forthcoming technologies in the field of on-chip communications. However, these technologies require from the so elusive out-of-plane photon sources to achieve an efficient coupling of radiated light into planar devices. Here we propose a versatile spectroscopic method that enables the identification of the out-of-plane component of dipoles. The method is based on the selective coupling of light emitted by in-plane and out-of-plane dipoles to the whispering gallery modes of spherical dielectric microresonators, in close contact to them. We have applied this method to demonstrate the existence of dipoles with an out-of-plane orientation in monolayer WSe2 at room temperature. Micro-photoluminescent measurements, numerical simulations based on finite element methods, and ab-initio calculations have identified trions as the source responsible for this out-of-plane emission, opening new routes for realizing on-chip integrated systems with applications in information processing and quantum communications.

In Situ TEM Observation of Cooperative Grain Rotations and the Bauschinger Effect in Nanocrystalline Palladium

We report on cooperative grain rotation accompanied by a strong Bauschinger effect in nanocrystalline (nc) palladium thin film. A thin film of nc Pd was subjected to cyclic loading–unloading using in situ TEM nanomechanics, and the evolving microstructural characteristics were investigated with ADF-STEM imaging and quantitative ACOM-STEM analysis. ADF-STEM imaging revealed a partially reversible rotation of nanosized grains with a strong out-of-plane component during cyclic loading–unloading experiments. Sets of neighboring grains were shown to rotate cooperatively, one after the other, with increasing/decreasing strain. ACOM-STEM in conjunction with these experiments provided information on the crystallographic orientation of the rotating grains at different strain levels. Local Nye tensor analysis showed significantly different geometrically necessary dislocation (GND) density evolution within grains in close proximity, confirming a locally heterogeneous deformation response. The GND density analysis revealed the formation of dislocation pile-ups at grain boundaries (GBs), indicating the generation of back stresses during unloading. A statistical analysis of the orientation changes of individual grains showed the rotation of most grains without global texture development, which fits to both dislocation- and GB sliding-based mechanisms. Overall, our quantitative in situ experimental approach explores the roles of these different deformation mechanisms operating in nanocrystalline metals during cyclic loading.

Out-of-plane emission of trions in monolayer WSe2 revealed by whispering gallery modes of dielectric microresonators

The manipulation of light emitted by two-dimensional semiconductors grounds forthcoming technologies in the field of on-chip communications. However, these technologies require from the so elusive out-of-plane photon sources to achieve an efficient coupling of radiated light into planar devices. Here we propose a versatile spectroscopic method that enables the identification of the out-of-plane component of dipoles due to the selective coupling of light emitted by in-plane and out-of-plane dipoles to the whispering gallery modes of spherical dielectric microresonators, in close contact to them. We have applied this method to demonstrate the existence of dipoles with an out-of-plane orientation in monolayer WSe2 at room temperature, by means of micro-photoluminescent measurements, numerical simulations based on finite element methods, and ab-initio calculations. Experimental results and ab-initio calculations identify trions as the source responsible for this out-of-plane emission, opening new routes for realizing on-chip integrated systems with applications in information processing and quantum communications.

Movement Modeling and Control for Robotic Bonnet Polishing

The spin axis of bonnet tool maintains a constant angle (precession angle) with the normal of polishing point in polishing. In this paper, a controlled model was established on robotic machining platform to polish large diameter axisymmetric aspheric optics. Based on the transformation relationship in spatial coordinate system, the relationships between workpiece coordinate system, polishing point local coordinate system and the bonnet tool coordinate system were set up respectively. So that the movement model of bonnet precession polishing was obtained. What’s more, the efficiency optimal control was added to the movement model. the trajectories and poses of the polishing were determined, and the change of robot linkage angle difference was obtained. Finally, the precession movement model and the control algorithm were verified by the simulation in the Robotstudio, an offline simulation software and experiment for plane component.

Inaccuracy of Forefoot Axial Radiographs in Determining the Coronal Plane Angle of Sesamoid Rotation in Adult Hallux Valgus Deformity. A Study using Weight-Bearing CT Scanning

BACKGROUND:Hallux abducto valgus (HAV) is a triplane deformity with recent attention given to the significance of correcting the coronal plane component. This study explored the accuracy of the forefoot axial study as a standard radiographic assessment method compared to weight-bearing CT scanning.METHODS:Twelve feet with HAV from 12 subjects were included in this study. Three images of the affected foot were taken: 1) forefoot axial radiograph (FFA), 2) weight-bearing CT scan with the foot in a position of a) maximum pronation (Pronated CT) and b) maximum supination (Supinated CT). Five investigators (three faculty members and two podiatric16 medical students) determined the sesamoid rotation angle (SRA) from each of the images. The measurements from a single investigator were used to compare the SRA means from each of the image types, while those from all five investigators were used to determine reliability.RESULTS:The mean SRA for the pronated CT position was 22.1 {plus minus} 7.6 degrees, while that for the supinated CT image was 10.5 {plus minus} 5.0 degrees. In comparison, the mean SRA determined from the FFA image was 12.2 {plus minus} 9.4 degrees. The mean SRA from the Pronated CT was significantly greater than both the Supinated CT (p<0.001) and the FFA SRA (p<0.005). There were no significant differences in mean SRA between the FFA and Supinated CT images (p=1.000). Results indicated a high reliability in measurements between investigators.CONCLUSIONS:Using weight-bearing CT, the findings of this study indicate that the sesamoids significantly alter their position in the coronal plane, as determined by the SRA, with changes in weight-bearing subtalar joint position. Moreover, the affected foot positioning required for determining the SRA from the forefoot axial radiograph appears to significantly underestimate the true SRA value. Thus, the use of this image in surgical HAV planning is called into question.