Phase-field crystals with elastic interactions

We report on a novel extension of the recently introduced phase-field crystal (PFC) method [Elder, Phys. Rev. Lett. 88, 245701 (2002)10.1103/PhysRevLett.88.245701], which incorporates elastic interactions as well as crystal plasticity and diffusive dynamics. In our model, elastic interactions are mediated through wave modes that propagate on time scales many orders of magnitude slower than atomic vibrations but still much faster than diffusive time scales. This allows us to preserve the quintessential advantage of the PFC model: the ability to simulate atomic-scale interactions and dynamics on time scales many orders of magnitude longer than characteristic vibrational time scales. We demonstrate the two different modes of propagation in our model and show that simulations of grain growth and elastoplastic deformation are consistent with the microstructural properties of nanocrystals.     

Bit error probability of phase-coherent communication systems in the presence of noise and interference

The signal, interference and noise are applied at the input to the phase-coherent communication receiver and an expression for the bit error probability is derived. Error curves are calculated for the case when the reference carrier is not ideal. The reference carrier is extracted by the first order loop.<>     

Optimizing cross-reactivity with evolutionary search for sensors

We report a straightforward evolutionary procedure to build an optimal sensor array from a pool of DNA sequences oriented toward three-way junctions. The individual sensors were mined from this pool under separate selection pressures to interact with four steroids, while allowing cross-reactivity, in a manner designed to achieve perfect classification of individual steroids. The resulting sensor array had three sensors and displayed discriminatory capacity between steroid classes over full ranges of concentrations. We propose that similar protocols can be used whenever we have two or more classes of samples, with individual classes being defined through gross differences in ratios of dominant families of responsive components.     

Evaluation of optimal bandwidth in optical FSK system influenced bylaser phase noise

In this paper, an optical frequency shift keying (FSK) system with TFS (two-filter structure), also known as dual-filter FSK, is observed in the presence of laser phase noise. Sensitivity of the receiver is shown as a function of intermediate frequency (IF) bandwidth and a bandwidth of the low-pass postdetection filter. It is shown that there is an optimal pair of bandwidths which minimizes required sensitivity; a few figures for different amounts of phase noise are given. The results in this paper are based on truncated Taylor expansion method and a method based on complex analysis is used to evaluate the integrals involved     

Time-dependent approaches for the calculation of intersystem crossing rates

We present three formulas for calculating intersystem crossing rates in the Condon approximation to the golden rule by means of a time-dependent approach: an expression using the full time correlation function which is exact for harmonic oscillators, a second-order cumulant expansion, and a short-time approximation of this expression. While the exact expression and the cumulant expansion require numerical integration of the time correlation function, the integration of the short-time expansion can be performed analytically. To ensure convergence in the presence of large oscillations of the correlation function, we use a Gaussian damping function. The strengths and weaknesses of these approaches as well as the dependence of the results on the choice of the technical parameters of the time integration are assessed on four test examples, i.e., the nonradiative S(1) ? T(1) transitions in thymine, phenalenone, flavone, and porphyrin. The obtained rate constants are compared with previous results of a time-independent approach. Very good agreement between the literature values and the integrals over the full time correlation functions are observed. Furthermore, the comparison suggests that the cumulant expansion approximates the exact expression very well while allowing the interval of the time integration to be significantly shorter. In cases with sufficiently high vibrational density of states also the short-time approximation yields rates in good agreement with the results of the exact formula. A great advantage of the time-dependent approach over the time-independent approach is its excellent computational efficiency making it the method of choice in cases of large energy gaps, large numbers of normal modes, and high densities of final vibrational states.     

Outage Performance of Dual-Hop AF Relay Channels with Co-Channel Interferences over Rayleigh Fading

This paper studies the outage performance of a dual-hop amplify-and-forward (AF) relay fading channel in an interference-limited environment. The relay and destination nodes are corrupted by multiple co-channel Rayleigh interferences. New exact closed-form expressions for the outage probability for channel-state-information (CSI)—assisted relay, in which gain is dependent on previous hop CSI and interference, are derived. Monte Carlo simulations are performed to verify the obtained theoretical results. For the cases where the number of interferers at the relay and the destination node is equal, we derive novel expressions for outage probability upper and lower bounds.     

Theoretical Investigation of the Excited States of 2‐Nitrobenzyl and 4,5‐Methylendioxy‐2‐nitrobenzyl Caging Groups†

The photochemistry of caged compounds of the o‐nitrobenzyl type has been investigated thoroughly in the past. However, even recently new side reactions have been discovered. Earlier, we reported [Bley, F., K. Schaper, and H. Görner (2008), Photochem. Photobiol. 84 162–171] that we found long‐lived triplet states which do not lead to product formation for the bathochromic absorbing compounds with 4,5‐methylendioxy‐2‐nitrobenzyl caging group. Here, we report on theoretical studies which explain the special behavior of these compounds. These studies reveal that the bathochromic shift of absorption for these compounds compared with o ‐nitrobenzyl compounds themselves is not due to a shift in energy of the involved states, but due to a substantial change of oscillator strength of the respective transitions. The lack of reactivity of the triplet state of 4,5‐methylendioxy‐2‐nitrobenzyl compounds can be attributed to state switching. In the triplet manifold the lowest state is a nonreactive charge transfer state, while the lowest state in the singlet manifold is a reactive local excitation in the nitro‐group. From these results we conclude that it will be most likely not possible to create derivatives of caged compounds based on the o ‐nitrobenzyl caging group which have absorption which is shifted even more strongly to longer wavelengths.     

Effect of Microdiversity and Macrodiversity on Average Bit Error Probability in Shadowed Fading Channels in the Presence of Interference

The detrimental effect of short‐term fading and shadowing can be mitigated using microdiversity and macrodiversity systems, respectively. In this paper, implementation of selection combining at both micro and macro levels to improve system performance is analyzed. An assessment of the performance of such a system is carried out by considering the desired signal as Rician fading with lognormal shadowing and cochannel interference signal as Rayleigh fading superimposed over lognormal shadowing. The proposed analysis is complemented by various performance evaluation results, including the effects on overall system performance of fading severity, shadowing spreads and branch correlation existing at the base station, and correlation between base stations.     

Inclusion complexes of amlodipine besylate and cyclodextrins

In this paper the procedure for the preparation of inclusion complexes of amlodipine besylate with β-cyclodextrin (β-CD) and 2-hydrohypropyl-β-cyclodextrin (HPβ-CD) and their structural characterization was described. Molecular inclusion complexes of amlodipine besylate are prepared by the coprecipitation method and characterised by the application of spectroscopic methods FTIR, ¹H-NMR and XRD. The photosensitivity of amlodipine besylate in the inclusion complexes was also determined with respect to uncomplexed agent. DSC curves indicate the loss of the clear peak due to melting of amlodipine besylate at about 200°C, while on XR diffractograms certain reflections are lost belonging to amlodipine besylate in complexes. This indicates its inclusion in the vacancies of the host. The inclusion of amlodipine besylate with cyclodextrins increases the stability, i.e. decreases the photosensitivity of amlodipine besylate.