An extended Cahn-Hilliard model for interfaces with cubic anisotropy

For studying systems with a cubic anisotropy in interfacial energy sigma, we extend the Cahn-Hilliard model by including in it a fourth-rank term, namely, gamma (ijlm) [partial derivative (2) c/(partial derivativex(i) partial derivativex(j))] [partial derivative (2) c/(partial derivativex(l) partial derivativex(m))]. This term leads to an additional linear term in the evolution equation for the composition parameter field. It also leads to an orientation-dependent effective fourth-rank coefficient gamma ([hkl]) in the governing equation for the one-dimensional composition profile across a planar interface. The main effect of a non-negative gamma ([hkl]) is to increase both sigma and interfacial width w, each of which, upon suitable scaling, is related to gamma ([hkl]) through a universal scaling function. In this model, sigma is a differentiable function of interface orientation (n) over cap, and does not exhibit cusps; therefore, the equilibrium particle shapes (Wulff shapes) do not contain planar facets. However, the anisotropy in the interfacial energy can be large enough to give rise to corners in the Wulff shapes in two dimensions. In particles of finite sizes, the corners become rounded, and their shapes tend towards the Wulff shape with increasing particle size.

The effect of host glass on optical absorption and fluorescence of Nd3+ in xNa(2)O-(30-x)K2O-70B(2)O(3) glasses

The effect of host glass composition on the optical absorption and fluorescence spectra of Nd3+ has been studied in mixed alkali borate glasses of the type xNa(2)O-(30-x)K2O-69.5B(2)O(3)-0.5Nd(2)O(3) (X = 5,10,15,20 and 25). Various spectroscopic parameters such as Racah (E-1, E-2 and E-3), spin-orbit (xi(4f)) and configuration interaction (alpha, beta) parameters have been calculated. The Judd-Ofelt intensity parameters (Omega(lambda)) have been calculated and the radiative transition probabilities (A(rad)), radiative lifetimes (tau(r)), branching ratios (beta) and integrated absorption cross sections (Sigma) have been obtained for certain excited states of the Nd3+, ion and are discussed with respect to x. From the fluorescence spectra, the effective fluorescence line widths (Deltalambda(eff)) and stimulated emission cross sections (sigma(p)) have been obtained for the three transitions F-4(3/2) --> I-4(9/2), F-4(3/2) --> I-4(11/2) and F-4(3/2) --> I-4(13/2) of Nd3+. The stimulated emission cross section (sigma(p)) values are found to be in the range (2.0-4.8) x 10(-2)0 cm(2) and they are large enough to indicate that the mixed alkali borate glasses could be potential laser host materials.

Optical conductivity of perovskite manganites

We calculate the optical conductivity sigma(omega) for doped rare-earth manganites based on the recently proposed microscopic ``two fluid'' l-b model. We study the temperature dependence of sigma(omega) for La(0.825)Sr(0.175)MnO(3), which has a metallic ground state. At low temperatures, the calculated sigma(omega) shows a ``two-peak'' structure consisting of a far-infrared coherent Drude peak and a broad mid-infrared ``polaron'' peak, as observed in experiments. Upon heating, the Drude peak rapidly loses spectral weight, and sigma(omega) crosses over to having just a single broad mid-infrared peak. The temperature dependence of the mid-infrared peak and the spectral weight transfer between the two peaks are also in agreement with experimental findings. We also study the doping dependence of sigma(omega) for the same compound. The integrated spectral weight under the Drude peak increases rapidly as the doping level is increased from an underdoped, insulating state (x = 0.1) to a highly doped, metallic state (x = 0.3), again in agreement with trends seen experimentally.

Non-Gaussianity and direction-dependent systematics in HST Key Project data

Two new statistics, namely Delta(chi 2) and Delta(chi), based on the extreme value theory, were derived by Gupta et al. We use these statistics to study the direction dependence in the HST Key Project data, which provides one of the most precise measurements of the Hubble constant. We also study the non-Gaussianity in this data set using these statistics. Our results for Delta(chi 2) show that the significance of direction-dependent systematics is restricted to well below the 1 sigma confidence limit; however, the presence of non-Gaussian features is subtle. On the other hand, the Delta(chi). statistic, which is more sensitive to direction dependence, shows direction dependence systematics to be at a slightly higher confidence level, and the presence of non-Gaussian features at a level similar to the Delta(chi 2) statistic.

Classical integrability in the BTZ black hole

Using the fact the BTZ black hole is a quotient of AdS(3) we show that classical string propagation in the BTZ background is integrable. We construct the flat connection and its monodromy matrix which generates the non-local charges. From examining the general behaviour of the eigen values of the monodromy matrix we determine the set of integral equations which constrain them. These equations imply that each classical solution is characterized by a density function in the complex plane. For classical solutions which correspond to geodesics and winding strings we solve for the eigen values of the monodromy matrix explicitly and show that geodesics correspond to zero density in the complex plane. We solve the integral equations for BMN and magnon like solutions and obtain their dispersion relation. We show that the set of integral equations which constrain the eigen values of the monodromy matrix can be identified with the continuum limit of the Bethe equations of a twisted SL(2, R) spin chain at one loop. The Landau-Lifshitz equations from the spin chain can also be identified with the sigma model equations of motion.

0.84 ps Resolution Clock Skew Measurement via Subsampling

An all-digital on-chip clock skew measurement system via subsampling is presented. The clock nodes are sub-sampled with a near-frequency asynchronous sampling clock to result in beat signals which are themselves skewed in the same proportion but on a larger time scale. The beat signals are then suitably masked to extract only the skews of the rising edges of the clock signals. We propose a histogram of the arithmetic difference of the beat signals which decouples the relationship of clock jitter to the minimum measurable skew, and allows skews arbitrarily close to zero to be measured with a precision limited largely by measurement time, unlike the conventional XOR based histogram approach. We also analytically show that the proposed approach leads to an unbiased estimate of skew. The measured results from a 65 nm delay measurement front-end indicate that for an input skew range of +/- 1 fan-out-of-4 (FO4) delay, +/- 3 sigma resolution of 0.84 ps can be obtained with an integral error of 0.65 ps. We also experimentally demonstrate that a frequency modulation on a sampling clock maintains precision, indicating the robustness of the technique to jitter. We also show how FM modulation helps in restoring precision in case of rationally related clocks.

Analysis of residual tropical cemented soil behaviour

In -situ soils in gee-material spectrum might arise due to sedimentation or could be non-sedimentary residual formations. The inherent nature and diversity of geological processes involved in the soil formation stage itself are responsible for a wide variability in the in-situ state of the soil. In this paper the possibility of analyses to arrive at engineering parameters of residual soils with varied degrees of residual or acquired cementation by the use of physical and in-situ parameters normally determined in routine investigations, are examined. An Intrinsic State Line,(ISL), with reference to an intrinsic state parameter (e/e(L)) and its variation with effective stress for reconstituted clays has been developed for residual tropical soils of non-sedimentary origin. In relation to the Intrinsic State Line (ISL), the undisturbed state, e, the potential parameter, e(L), along with the overburden pressure data has been analyzed to identify the dominance of cementation or stress history or both in controlling the compressibility and strength behaviour of natural residual soil. The location of yield stress point in relation to the ISL, pre-, and post- yield stress, compression indices along the e- log sigma(v) path provide a simple means to the analysis of the compressibility characteristics of cemented soils for analysis.

Experimental and Theoretical Studies of Unusual Four-Membered Metallacycles from Reactions of Group 4 Metallocene Bis(trimethylsilyl)-acetylene Complexes with the Sulfurdiimide Me3SiN=S=NSiMe3

The use of the sulfurdiimide RN=S=NR' (R = R' = SiMe3, 3) in reactions with group 4 metallocene bis(trimethylsilyl)-acetylene complexes of the type [Cp2M(L (eta(2)-Me3Si-C2SiMe3)] (1: M = Ti, no L; 2: M = Zr, L = pyridine) has led to the formation of four-membered metallacycles 4M containing the group 4 metal, nitrogen and sulfur. DFT calculations performed on compound 4Ti indicate that this complex is best described as a sigma-complex with cyclic delocalisation of the ring electrons. Moreover, pseudo-Jahn-Teller distortion plays a significant role in stabilising this complex.

Design and performance analysis of a signal detector based on suprathreshold stochastic resonance

This paper presents the design and performance analysis of a detector based on suprathreshold stochastic resonance (SSR) for the detection of deterministic signals in heavy-tailed non-Gaussian noise. The detector consists of a matched filter preceded by an SSR system which acts as a preprocessor. The SSR system is composed of an array of 2-level quantizers with independent and identically distributed (i.i.d) noise added to the input of each quantizer. The standard deviation sigma of quantizer noise is chosen to maximize the detection probability for a given false alarm probability. In the case of a weak signal, the optimum sigma also minimizes the mean-square difference between the output of the quantizer array and the output of the nonlinear transformation of the locally optimum detector. The optimum sigma depends only on the probability density functions (pdfs) of input noise and quantizer noise for weak signals, and also on the signal amplitude and the false alarm probability for non-weak signals. Improvement in detector performance stems primarily from quantization and to a lesser extent from the optimization of quantizer noise. For most input noise pdfs, the performance of the SSR detector is very close to that of the optimum detector. (C) 2012 Elsevier B.V. All rights reserved.

Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding

Iodothyronine deiodinases (IDs) are mammalian selenoenzymes that catalyze the conversion of thyroxine (T4) to 3,5,3'-triiodothyronine (T3) and 3,3',5'-triiodothyronine (rT3) by the outer- and inner-ring deiodination pathways, respectively. These enzymes also catalyze further deiodination of T3 and rT3 to produce a variety of di- and monoiodo derivatives. In this paper, the deiodinase activity of a series of pen-substituted naphthalenes having different amino groups is described. These compounds remove iodine selectively from the inner-ring of T4 and T3 to produce rT3 and 3,3'-diiodothyronine (3,3'-T2), respectively. The naphthyl-based compounds having two selenols in the pen-positions exhibit much higher deiodinase activity than those having two thiols or a thiol selenol pair. Mechanistic investigations reveal that the formation of a halogen bond between the iodine and chalcogen (S or Se) and the pen-interaction between two chalcogen atoms (chalcogen bond) are important for the deiodination reactions. Although the formation of a halogen bond leads to elongation of the C-I bond, the chalcogen bond facilitates the transfer of more electron density to the C-I sigma* orbitals, leading to a complete cleavage of the C-I bond. The higher activity of amino-substituted selenium compounds can be ascribed to the deprotonation of thiol/selenol moiety by the amino group, which not only increases the strength of halogen bond but also facilitates the chalcogen chalcogen interactions.

Including the fermion vacuum fluctuations in the (2+1) flavor Polyakov quark-meson model

We consider the (2 + 1) flavor Polyakov quark-meson model and study the effect of including fermion vacuum fluctuations on the thermodynamics and phase diagram. The resulting model predictions are compared to the recent QCD lattice simulations by the HotQCD and Wuppertal-Budapest collaborations. The variation of the thermodynamic quantities across the phase transition region becomes smoother. This results in better agreement with the lattice data. Depending on the value of the mass of the sigma meson, including the vacuum term results in either pushing the critical end point into higher values of the chemical potential or excluding the possibility of a critical end point altogether.

Theoretical analysis of photoinduced H-atom elimination in thiophenol

The photoinduced hydrogen elimination reaction in thiophenol via the conical intersections of the dissociative (1)pi sigma* excited state with the bound (1)pi pi* excited state and the electronic ground state has been investigated with ab initio electronic-structure calculations and time-dependent quantum wave-packet calculations. A screening of the coupling constants of the symmetry-allowed coupling modes at the (1)pi pi*-(1)pi sigma* and (1)pi sigma*-S-0 conical intersection shows that the SH torsional mode is by far the most important coupling mode at both conical intersections. A model including three intersecting potential-energy surfaces (S-0, (1)pi pi*, (1)pi sigma*) and two nuclear degrees of freedom (SH stretch and SH torsion) has been constructed on the basis of ab initio complete-active-space self-consistent field and multireference second-order perturbation theory calculations. The nonadiabatic quantum wave-packet dynamics initiated by optical excitation of the (1)pi pi* and (1)pi sigma* states has been explored for this three-state two-coordinate model. The photodissociation dynamics is characterized in terms of snapshots of time-dependent wave packets, time-dependent electronic population probabilities, and the branching ratio of the (2)sigma/(2)pi electronic states of the thiophenoxyl radical. The dependence of the timescale of the photodissociation process and the branching ratio on the initial excitation of the SH stretching and SH torsional vibrations has been analyzed. It is shown that the node structure, which is imposed on the nuclear wave packets by the initial vibrational preparation as well as by the transitions through the conical intersections, has a profound effect on the photodissociation dynamics. The effect of additional weak coupling modes of CC twist (nu(16a)) and ring-distortion (nu(16b)) character has been investigated with three-dimensional and four-dimensional time-dependent wave-packet calculations, and has been found to be minor. (C) 2012 American Institute of Physics. http://dx.doi.org/10.1063/1.4709608]

Feasibility study of the measurement of Higgs pair creation at a photon linear collider

We studied the feasibility of the measurement of Higgs pair creation at a photon linear collider. From the sensitivity to the anomalous self-coupling of the Higgs boson, the optimum gamma gamma collision energy was found to be around 270 GeV for a Higgs mass of 120 GeV/c(2). We found that large backgrounds such as gamma gamma -> W+W-, ZZ, and b (b) over barb (b) over bar can be suppressed if correct assignment of tracks to parent partons is achieved and Higgs pair events can be observed with a statistical significance of similar to 5 sigma by operating the photon linear collider for 5 years.

Study of n-ZnO/p-Si (100) thin film heterojunctions by pulsed laser deposition without buffer layer

ZnO/Si heterojunctions were fabricated by growing ZnO thin films on p-type Si (100) substrate by pulsed laser deposition without buffer layers. The crystallinity of the heterojunction was analyzed by high resolution X-ray diffraction and atomic force microscopy. The optical quality of the film was analyzed by room temperature (RT) photoluminescence measurements. The high intense band to band emission confirmed the high quality of the ZnO thin films on Si. The electrical properties of the junction were studied by temperature dependent current-voltage measurements and RT capacitance-voltage (C-V) analysis. The charge carrier concentration and the barrier height (BH) were calculated, to be 5.6x10(19) cm(-3) and 0.6 eV respectively from the C-V plot. The BH and ideality factor, calculated using the thermionic emission (TE) model, were found to be highly temperature dependent. We observed a much lower value in Richardson constant, 5.19x10(-7)A/cm(2) K-2 than the theoretical value (32 A/cm(2) K-2) for ZnO. This analysis revealed the existence of a Gaussian distribution (GD) with a standard deviation of sigma(2)=0.035 V. By implementing the GD to the TE, the values of BH and Richardson constant were obtained as 1.3 eV and 39.97 A/cm(2) K-2 respectively from the modified Richardson plot. The obtained Richardson constant value is close to the theoretical value for n-ZnO. These high quality heterojunctions can be used for solar cell applications. (C) 2012 Elsevier B.V. All rights reserved.

Analysis of the temperature-dependent current-voltage characteristics and the barrier-height inhomogeneities of Au/GaN Schottky diodes

In this report, the currentvoltage (IV) characteristics of Au/GaN Schottky diodes have been carried out in the temperature range of 300510?K. The estimated values of the Schottky-barrier height (SBH) and the ideality factor of the diodes based on the thermionic emission (TE) mechanism were found to be temperature dependent. The barrier height was found to increase and the ideality factor to decrease with increasing temperature. The conventional Richardson plot of ln(Is/T2) versus 1/kT gives the SBH of 0.51?eV and Richardson constant value of 3.23?X?10-5?A?cm-2?K-2 which is much lower than the known value of 26.4?A?cm-2?K-2 for GaN. Such discrepancies of the SBH and Richardson constant value were attributed to the existence of barrier-height inhomogeneities at the Au/GaN interface. The modified Richardson plot of ln(Is/T2)q2 sigma 2/2k2T2 versus q/kT, by assuming a Gaussian distribution of barrier heights at the Au/GaN interface, provided the SBH of 1.47?eV and Richardson constant value of 38.8?A?cm-2?K-2. The temperature dependence of the barrier height is interpreted on the basis of existence of the Gaussian distribution of the barrier heights due to the barrier-height inhomogeneities at the Au/GaN interface.