Collective Effects on Single Particle Orientational Relaxation in Slow Dipolar Liquids

Theoretical and computer simulation studies of orientational relaxation in dense molecular liquids are presented. The emphasis of the study is to understand the effects of collective orientational relaxation on the single-particle orientational dynamics. The theoretical analysis is based on a recently developed molecular hydrodynamic theory which allows a self-consistent description of both the collective and the single-particle orientational relaxation. The molecular hydrodynamic theory can be used to derive a relation between the memory function for the collective orientational correlation function and the frequency-dependent dielectric function. A novel feature of the present work is the demonstration that this collective memory function is significantly different from the single-particle rotational friction. However, a microscopic expression for the single-particle rotational friction can be derived from the molecular hydrodynamic theory where the collective memory function can be used to obtain the single-particle orientational friction. This procedure allows, us to calculate the single-particle orientational correlation function near the alpha-beta transition in the supercooled liquid. The calculated correlation function shows an interesting bimodal decay below the bifurcation temperature as the glass transition is approached from above. Brownian dynamics simulations have been carried out to check the validity of the above procedure of translating the memory function from the dielectric relaxation data. We have also investigated the following two issues important in understanding the orientational relaxation in slow liquids. First, we present an analysis of the ''orientational caging'' of translational motion. The value of the translational friction is found to be altered significantly by the orientational caging. Second, we address the question of the rank dependence of the dielectric friction using both simulation and the molecular hydrodynamic theory.

Quantitation of spermatogenesis by DNA flow cytometry: Comparative study among six species of mammals

Suspensions of testicular germ cells from six species of mammals were prepared and stained for the DNA content with a fluorochrome (ethidium bromide) adopting a common technique and subjected to DNA flow cytometry. While uniform staining of the germ cells of the mouse, hamster, rat and monkey could be obtained by treating with 0.5% pepsin for 60 min followed by staining with ethidium bromide for 30 min, that of the guinea pig and rabbit required for optimal staining pepsinization for 90 min and treatment with ethidium bromide for 60 min. The procedure adopted here provided a uniform recovery of over 80% of germ cells with each one of the species tested and the cell population distributed itself according to the DNA content (expressed as C values) into 5 major classes-spermatogonia (2C), cells in S-phase, primary spermatocytes (4C), round spermatids (1C), and elongating/elongated spermatids (HC). Comparison of the DNA distribution pattern of the germ cell populations between species revealed little variation in the relative quantities of cells with 2C (8-11%), S-phase (6-9%), and 4C (6-9%) amount of DNA. Though the spermatid cell populations exhibited variations (1C:31-46%, HCI:7-20% and and HC2:11-25%) they represented the bulk of germ cells (70-80%). The overall conversion of 2C to 1C (1C:2C ratio) and meiotic transformation of 4C cells to IC (1C:4C ratio) kinetics were relatively constant between the species studied. The present study clearly demonstrates that DNA flow cytometry can be adopted with ease and assurance to quantify germ cell transformation and as such spermatogenesis by analysing a large number of samples with consistency both within and across the species barrier. Any variation from the norms in germ cell proportions observed following treatment, for e.g. hormonal stimulation or deprivation can then be ascribed due to a specific effect of the hormone/drug on single/multiple steps in germ cell transformation

Prediction of nonlocal scaling parameter for armchair and zigzag single-walled carbon nanotubes based on molecular structural mechanics, nonlocal elasticity and wave propagation

Atomic vibration in the Carbon Nanotubes (CNTs) gives rise to non-local interactions. In this paper, an expression for the non-local scaling parameter is derived as a function of the geometric and electronic properties of the rolled graphene sheet in single-walled CNTs. A self-consistent method is developed for the linearization of the problem of ultrasonic wave propagation in CNTs. We show that (i) the general three-dimensional elastic problem leads to a single non-local scaling parameter (e(0)), (ii) e(0) is almost constant irrespective of chirality of CNT in the case of longitudinal wave propagation, (iii) e(0) is a linear function of diameter of CNT for the case of torsional mode of wave propagation, (iv) e(0) in the case of coupled longitudinal-torsional modes of wave propagation, is a function which exponentially converges to that of axial mode at large diameters and to torsional mode at smaller diameters. These results are valid in the long-wavelength limit. (C) 2011 Elsevier Ltd. All rights reserved.

Thermodynamic modelling of absorption-resorption heating cycles with some new working pairs

This paper presents the results of a thermodynamic cycle analysis of single stage resorption heat pump (RHP) and resorption heat transformer (RHT) cycles with the new working pairs R22-NMP and R22-DMA. The coefficients of performance (COP) are correlated with the low grade source temperature, temperature at which useful heat is obtained and ambient temperature. The COPs are in the range 1.20–1.60 for the RHP mode and 0.25–0.45 for the RHT mode. Absorber temperatures (useful temperatures) as high as 50°C in the RHP mode and 87°C in the RHT mode have been obtained. It is observed that absorption-resorption systems are inflexible in their range of operating temperature and necessitate a higher pump work as compared with simple single-stage absorption heating systems. However, single stage RHTs show higher temperature boosts than simple absorption heat transformers.

The stretching of single poly-ubiquitin molecules: Static versus dynamic disorder in the non-exponential kinetics of chain unfolding

Static disorder has recently been implicated in the non-exponential kinetics of the unfolding of single molecules of poly-ubiquitin under a constant force Kuo, Garcia-Manyes, Li, Barel, Lu, Berne, Urbakh, Klafter, and Fernandez, Proc. Natl. Acad. Sci. U. S. A. 107, 11336 (2010)]. In the present paper, it is suggested that dynamic disorder may provide a plausible, alternative description of the experimental observations. This suggestion is made on the basis of a model in which the barrier to chain unfolding is assumed to be modulated by a control parameter r that evolves in a parabolic potential under the action of fractional Gaussian noise according to a generalized Langevin equation. The treatment of dynamic disorder within this model is pursued using Zwanzig's indirect approach to noise averaging Acc. Chem. Res. 23, 148 (1990)]. In conjunction with a self-consistent closure scheme developed by Wilemski and Fixman J. Chem. Phys. 58, 4009 (1973); ibid. 60, 866 (1974)], this approach eventually leads to an expression for the chain unfolding probability that can be made to fit the corresponding experimental data very closely. (C) 2011 American Institute of Physics.

Orientational disorder and other aspects of C70 and C60-C70 films deposited on single-crystal substrates

C-70 films deposited on highly oriented pyrolytic graphite (HOPG), Ag(110), Ag(111) and Pt(110) substrates have been investigated by scanning tunnelling microscopy. Interesting observations on novel molecular arrangements, as well as orientational disorder, are presented. Solid solutions of C-60 and C-70 show interesting packing of these molecules when deposited on HOPG.

Some Algorithms for Eigensubspace Estimation

An important tool in signal processing is the use of eigenvalue and singular value decompositions for extracting information from time-series/sensor array data. These tools are used in the so-called subspace methods that underlie solutions to the harmonic retrieval problem in time series and the directions-of-arrival (DOA) estimation problem in array processing. The subspace methods require the knowledge of eigenvectors of the underlying covariance matrix to estimate the parameters of interest. Eigenstructure estimation in signal processing has two important classes: (i) estimating the eigenstructure of the given covariance matrix and (ii) updating the eigenstructure estimates given the current estimate and new data. In this paper, we survey some algorithms for both these classes useful for harmonic retrieval and DOA estimation problems. We begin by surveying key results in the literature and then describe, in some detail, energy function minimization approaches that underlie a class of feedback neural networks. Our approaches estimate some or all of the eigenvectors corresponding to the repeated minimum eigenvalue and also multiple orthogonal eigenvectors corresponding to the ordered eigenvalues of the covariance matrix. Our presentation includes some supporting analysis and simulation results. We may point out here that eigensubspace estimation is a vast area and all aspects of this cannot be fully covered in a single paper. (C) 1995 Academic Press, Inc.

Surface damage of yttria-tetragonal zirconia polycrystals and magnesia-partially-stabilized zirconia in single-point abrasion

Commercially available 3Y-TZP and Mg-PSZ flats mere abraded by a 150 degrees diamond cone at -196 degrees, 25 degrees, 200 degrees, and 400 degrees C. The coefficient of friction, the track width, and the morphological features of the track were recorded. Raman spectroscopy mas used to record the tetragonal-to-monoclinic phase transformation (t --> m) as a function of distance away from the track. The study was undertaken to establish the influence of tangential traction on phase transformation and surface damage.

Preparation and Characterization of Single-Phase Beta-Sialon

A simple method for the preparation of monophasic beta-SiAlON using nitridation of Si and AIN with an oxygen partial pressure of 10(-4) atm is described. The effect of the AlN/Si ratio in the initial mixture on the formation of beta-SiAlON is discussed. The likely mechanism of the formation of beta-SiAlON is outlined.

Critical buckling temperature of single-walled carbon nanotubes embedded in a one-parameter elastic medium based on nonlocal continuum mechanics

In this paper, the critical budding temperature of single-walled carbon nanotubes (SWCNTs), which are embedded in one-parameter elastic medium (Winkler foundation) is estimated under the umbrella of continuum mechanics theory. Nonlocal continuum theory is incorporated into Timoshenko beam model and the governing differential equations of motion are derived. An explicit expression for the non-dimensional critical buckling temperature is also derived in this work. The effect of the nonlocal small scale coefficient, the Winkler foundation parameter and the ratio of the length to the diameter on the critical buckling temperature is investigated in detail. It can be observed that the effects of nonlocal small scale parameter and the Winkler foundation parameter are significant and should be considered for thermal analysis of SWCNTs. The results presented in this paper can provide useful guidance for the study and design of the next generation of nanodevices that make use of the thermal buckling properties of embedded single-walled carbon nanotubes. (C) 2011 Elsevier B.V. All rights reserved.

Coordination driven self-assembly of metallamacrocycles using ambidentate linkers and self-selection of single linkage isomer

Nicotinate-N-oxide and isonicotinate-N-oxide have been employed to synthesize four heterometallic metallamacrocycles (dppf)(2)Pd-2(nicotinate-N-oxide)(2)](OTf)(2) (1), (dppf)(2)Pt-2(nicotinate-N-oxide)(2)](OTf)(2) (2), (dppf) 2Pd2(isonicotinate-N-oxide)(2)](OTf)(2) (3) and (dppf)(2)Pt-2(isonicotinate-N-oxide)(2)](OTf)(2) (4). The complexes represent the first examples of metallamacrocycles driven by solely Pd(II)/Pt(II)-O coordination using carboxylate-N-oxide donor. All the complexes 1-4 are characterized by IR, UV-Vis, multinuclear NMR spectroscopic and ESI-MS studies. The molecular structures of the complexes 1 and 3 are unambiguously determined by single crystal X-ray diffraction analysis. Despite the possibility of formation of several linkage isomers due to ambidentate nature of the donors, exclusive formation of 2 + 2] self-assembled single isomeric metallamacrocycle in each case is interesting observation. (C) 2011 Elsevier B.V. All rights reserved.

Metamorphic-metasomatic fluids and Al, Si order/disorder of K-rich alkali feldspars from southern Indian high grade terrain

The structural state of K-feldspars in the quartzofeldspathic gneisses, charnockites, metapelites and pegmatites from the southern Kamataka, northern Tamil Nadu and southern Kerala high-grade regions of southern India has been characterized using petrographic and powder X-ray diffraction methods. The observed distribution pattern of structural state with a preponderance of disordered K-feldspar polymorphs in granulites compared to the ordered microclines in the amphibolite facies rocks is interpreted to reflect principally the varying H2O contents in the metamorphic-metasomatic fluids across metamorphic grade. The K-feldspars in the pegmatites of granitic derivation and in a pegmatite of inferred metamorphic origin also point to the important role of aqueous fluids in their structural state.

On the optimality of exhaustive service policies in multiclass queueing systems with modulated arrivals and switchovers

Consider a single-server multiclass queueing system with K classes where the individual queues are fed by K-correlated interrupted Poisson streams generated in the states of a K-state stationary modulating Markov chain. The service times for all the classes are drawn independently from the same distribution. There is a setup time (and/or a setup cost) incurred whenever the server switches from one queue to another. It is required to minimize the sum of discounted inventory and setup costs over an infinite horizon. We provide sufficient conditions under which exhaustive service policies are optimal. We then present some simulation results for a two-class queueing system to show that exhaustive, threshold policies outperform non-exhaustive policies.

Piezoelectrically stimulated dielectric dispersion in KAP single crystals

The frequency response of the dielectric constant (epsilon(r)), the loss tangent (tan delta) and impedance Z of potassium acid phthalate (KAP) single crystals, monitored along the polar axis, exhibit strong resonances in the frequency range 50-200 kHz, depending on the dimensions of the sample. The observed resonance effect, which is strongly dependent on the geometric shape and size of the sample, is attributed to its piezoelectric nature. The resonance peak positions have been monitored as a function of both temperature and uniaxial pressure. The stiffness coefficient (C), computed based on the resonance data, is found to decrease with increasing temperature and increase with increasing pressure. The electro-mechanical coupling coefficient (k), obtained by resonance-anti-resonance method, has also been found to increase with rise in temperature. The epsilon(r) behaviour along the polar axis, as a function of temperature is consistent with that of k. The preliminary results on the influence, of partial replacement of K+ ions in the KAP crystal by Cs+ and Li+ ions, on the observed piezoelectric resonance effects are also included.

Photoluminescence studies on gray tracked KTiOPO4 single crystals

The photochromic, electrochromic and x-ray irradiation damages (commonly called the gray tracks) produced in KTiOPO4 single crystals have been studied using photoluminescence (PL) spectroscopy. Gray tracks were produced in this material by exposure to high laser powers (similar to MW/cm(2)), application of electric fields (similar to kV), and exposure to x rays (30 kV). The PL spectra recorded for such gray tracked samples at 4.2 K, exhibited a luminescence band in the 1-1.8 eV range with a peak at 1.41 eV. Temperature and excitation intensity dependence of PL peaks were carried out to probe the exact nature of the broad emission band in the gray tracked samples. The observed photoluminescence is attributed to transitions in the Ti3+ levels, created on irradiation. The microscopic effects produced in the crystal by electric field, optical field, and x rays are similar, as can be concluded from the similarity of PL spectra as well as their intensity and temperature dependences. (C) 1999 American Institute of Physics. [S0021-8979(99)04512-0].