Effective-Hamiltonian parameters for \emph{ab initio} energy-level calculations of SrCl2_{2}:Yb2+^{2+} and CsCaBr3_{3}:Yb2+^{2+}

Calculated energy levels from recent \emph{ab initio} studies of the electronic structure of SrCl$_{2}$:Yb$^{2+}$ and CsCaBr$_{3}$:Yb$^{2+}$ are fitted with a semi-empirical "crystal-field" Hamiltonian, which acts within the model space $4f^{14} + 4f^{13}5d + 4f^{13}6s$. Parameters are obtained for the minima of the potential-energy curves for each energy level and also for a range of anion-cation separations. The parameters are compared with published results parameters fitted to experimental data and to atomic calculations. The states with significant $4f^{13}6s$ character give a good approximation of the impurity-trapped exciton states that appear in the \emph{ab initio} calculations.Comment: Minor revisio

Modeling near-field radiative heat transfer from sharp objects using a general 3d numerical scattering technique

We examine the non-equilibrium radiative heat transfer between a plate and finite cylinders and cones, making the first accurate theoretical predictions for the total heat transfer and the spatial heat flux profile for three-dimensional compact objects including corners or tips. We find qualitatively different scaling laws for conical shapes at small separations, and in contrast to a flat/slightly-curved object, a sharp cone exhibits a local \emph{minimum} in the spatially resolved heat flux directly below the tip. The method we develop, in which a scattering-theory formulation of thermal transfer is combined with a boundary-element method for computing scattering matrices, can be applied to three-dimensional objects of arbitrary shape.Comment: 5 pages, 4 figures. Corrected background information in the introduction, results and discussion unchange

A Stochastic Approach to Shortcut Bridging in Programmable Matter

In a self-organizing particle system, an abstraction of programmable matter, simple computational elements called particles with limited memory and communication self-organize to solve system-wide problems of movement, coordination, and configuration. In this paper, we consider a stochastic, distributed, local, asynchronous algorithm for "shortcut bridging", in which particles self-assemble bridges over gaps that simultaneously balance minimizing the length and cost of the bridge. Army ants of the genus Eciton have been observed exhibiting a similar behavior in their foraging trails, dynamically adjusting their bridges to satisfy an efficiency trade-off using local interactions. Using techniques from Markov chain analysis, we rigorously analyze our algorithm, show it achieves a near-optimal balance between the competing factors of path length and bridge cost, and prove that it exhibits a dependence on the angle of the gap being "shortcut" similar to that of the ant bridges. We also present simulation results that qualitatively compare our algorithm with the army ant bridging behavior. Our work gives a plausible explanation of how convergence to globally optimal configurations can be achieved via local interactions by simple organisms (e.g., ants) with some limited computational power and access to random bits. The proposed algorithm also demonstrates the robustness of the stochastic approach to algorithms for programmable matter, as it is a surprisingly simple extension of our previous stochastic algorithm for compression.Comment: Published in Proc. of DNA23: DNA Computing and Molecular Programming - 23rd International Conference, 2017. An updated journal version will appear in the DNA23 Special Issue of Natural Computin

Adverse Events among HIV/MDR-TB Co-Infected Patients Receiving Antiretroviral and Second Line Anti-TB Treatment in Mumbai, India.

Significant adverse events (AE) have been reported in patients receiving medications for multidrug- and extensively-drug-resistant tuberculosis (MDR-TB & XDR-TB). However, there is little prospective data on AE in MDR- or XDR-TB/HIV co-infected patients on antituberculosis and antiretroviral therapy (ART) in programmatic settings

Violations of Bell Inequalities for Measurements with Macroscopic Uncertainties: What does it Mean to Violate Macroscopic Local Realism?

We suggest to test the premise of ``macroscopic local realism'' which is sufficient to derive Bell inequalities when measurements of photon number are only accurate to an uncertainty of order $n$ photons, where $n$ is macroscopic. Macroscopic local realism is only sufficient to imply, in the context of the original Einstein-Podolsky-Rosen argument, fuzzy ``elements of reality'' which have a macroscopic indeterminacy. We show therefore how the violation of local realism in the presence of macroscopic uncertainties implies the failure of ``macroscopic local realism''. Quantum states violating this macroscopic local realism are presented.Comment: 28 pages, 5 figures- new version is unchanged but tightened-20 pages, 5 figure

Molecular Motor of Double-Walled Carbon Nanotube Driven by Temperature Variation

An elegant formula for coordinates of carbon atoms in a unit cell of a single-walled nanotube (SWNT) is presented and a new molecular motor of double-walled carbon nanotube whose inner tube is a long (8,4) SWNT and outer tube a short (14,8) SWNT is constructed. The interaction between inner an outer tubes is analytically derived by summing the Lennard-Jones potentials between atoms in inner and outer tubes. It is proved that the molecular motor in a thermal bath exhibits a directional motion with the temperature variation of the bath.Comment: 9 pages, 4 figures, revtex

Contradiction of Quantum Mechanics with Local Hidden Variables for Continuous Variable Quadrature Phase Amplitude Measurements

We demonstrate a contradiction of quantum mechanics with local hidden variable theories for continuous variable quadrature phase amplitude (``position'' and ``momentum'') measurements, by way of a violation of a Bell inequality. For any quantum state, this contradiction is lost for situations where the quadrature phase amplitude results are always macroscopically distinct. We show that for optical realisations of this experiment, where one uses homodyne detection techniques to perform the quadrature phase amplitude measurement, one has an amplification prior to detection, so that macroscopic fields are incident on photodiode detectors. The high efficiencies of such detectors may open a way for a loophole-free test of local hidden variable theories.Comment: 9 pages,4 figures, previously publishe

Molecular Motor Constructed from a Double-Walled Carbon Nanotube Driven by Axially Varying Voltage

A new molecular motor is conceptually constructed from a double-walled carbon nanotube (DWNT) consisting of a long inner single-walled carbon nanotube (SWNT) and a short outer SWNT with different chirality. The interaction between inner and outer tubes is the sum of the Lennard-Jones potentials between carbon atoms in inner tube and those in outer one. Within the framework of Smoluchowski-Feynman ratchet, it is theoretically shown that this system in an isothermal bath will exhibit a unidirectional rotation in the presence of a varying axial electrical voltage.Comment: 11 pages + 3 figure

Spectroscopic And Computational Studies Of The Laser Photolysis Of Matrix Isolated 1,2-dibromoethanes: Formation And Fate Of The Bromoethyl Radicals

We report experimental and computational studies of the photolysis of atmospherically important 1,2-dibromoethanes (1,2-C(2)X(4)Br(2); X = H, F) in Ar matrixes at 5 K. Using the pulsed deposition method, we find that significant conformational relaxation occurs for 1,2-C(2)H(4)Br(2) (EDB; observed anti/gauche ratio =30:1) but not for 1,2-C(2)F(4)Br(2) (TFEDB; anti/gauche = 3:1), which is traced to a larger barrier to rotation about the C-C bond in the latter. Laser photolysis of matrix-isolated EDB at 220 nm reveals the growth of infrared bands assigned to the gauche conformer and C(2)H(4)-Br(2) charge transfer complex (both as major products), and the C(2)H(4)Br radical and C(2)H(3)Br-HBr complex as minor (trace) products. The presence of the C(2)H(4)-Br(2) complex is confirmed in the UV/visible spectrum, which shows an intense charge transfer band at 237 nm that grows in intensity upon annealing. In contrast to previous reports, our experimental and computational results do not support a bridged structure for the C(2)H(4)Br radical in either the gas phase or matrix environments. We also report on the laser photolysis of matrix-isolated TFEDB at 220 nm. Here, the dominant photoproducts are the anti and gauche conformers of the C(2)F(4)Br radical, the vibrational and electronic spectra of which are characterized here for the first time. The increase in yield of radical for TFEDB vs EDB is consistent with the stronger C-Br bond in the fluoro-substituted radical species. The photochemistry of the C(2)F(4)Br radical following excitation at 266 nm was investigated and found to lead C-Br bond cleavage and formation of C(2)F(4). The implications of this work for the atmospheric and condensed phase photochemistry of the alkyl halides is emphasized

Violation of multi-particle Bell inequalities for low and high flux parametric amplification using both vacuum and entangled input states

We show how polarisation measurements on the output fields generated by parametric down conversion will reveal a violation of multi-particle Bell inequalities, in the regime of both low and high output intensity. In this case each spatially separated system, upon which a measurement is performed, is comprised of more than one particle. In view of the formal analogy with spin systems, the proposal provides an opportunity to test the predictions of quantum mechanics for spatially separated higher spin states. Here the quantum behaviour possible even where measurements are performed on systems of large quantum (particle) number may be demonstrated. Our proposal applies to both vacuum-state signal and idler inputs, and also to the quantum-injected parametric amplifier as studied by De Martini et al. The effect of detector inefficiencies is included.Comment: 12 pages, 12 figure