Magnetization-steps in Y2CoMnO6 double perovskite: The role of antisite disorder

Antisite disorder is observed to have significant impact on the magnetic properties of the double perovskite Y2CoMnO6 which has been recently identified as a multiferroic. A paramagnetic-ferromagnetic phase transition occurs in this material at T-c approximate to 75 K. At 2K, it displays a strong ferromagnetic hysteresis with a significant coercive field of H-c approximate to 15 kOe. Sharp steps are observed in the hysteresis curves recorded below 8K. In the temperature range 2K <= T <= 5K, the hysteresis loops are anomalous as the virgin curve lies outside the main loop. The field-cooling conditions as well as the rate of field-sweep are found to influence the steps. Quantitative analysis of the neutron diffraction data shows that at room temperature, Y2CoMnO6 consists of 62% of monoclinic P2(1)/n with nearly 70% antisite disorder and 38% Pnma. The bond valence sums indicate the presence of other valence states for Co and Mn which arise from disorder. We explain the origin of steps by using a model for pinning of magnetization at the antiphase boundaries created by antisite disorder. The steps in magnetization closely resemble the martensitic transformations found in intermetallics and display first-order characteristics as revealed in the Arrott's plots. (C) 2014 AIP Publishing LLC.

Checking Liveness Properties of Presburger Counter Systems Using Reachability Analysis

Counter systems are a well-known and powerful modeling notation for specifying infinite-state systems. In this paper we target the problem of checking liveness properties in counter systems. We propose two semi decision techniques towards this, both of which return a formula that encodes the set of reachable states of the system that satisfy a given liveness property. A novel aspect of our techniques is that they use reachability analysis techniques, which are well studied in the literature, as black boxes, and are hence able to compute precise answers on a much wider class of systems than previous approaches for the same problem. Secondly, they compute their results by iterative expansion or contraction, and hence permit an approximate solution to be obtained at any point. We state the formal properties of our techniques, and also provide experimental results using standard benchmarks to show the usefulness of our approaches. Finally, we sketch an extension of our liveness checking approach to check general CTL properties.

Temperature-Induced Reversible First-Order Single Crystal to Single Crystal Phase Transition in Boc-gamma(4)(R)Val-Val-OH: Interplay of Enthalpy and Entropy

Crystals of Boc-gamma y(4)(R)Val-Val-OH undergo a reversible first-order single crystal to single crystal phase transition at T-c approximate to 205 K from the orthorhombic space group P22(1)2(1) (Z' = 1) to the monoclinic space group P2(1) (Z' = 2) with a hysteresis of similar to 2.1 K. The low-temperature monoclinic form is best described as a nonmerohedral twin with similar to 50% contributions from its two components. The thermal behavior of the dipeptide crystals was characterized by differential scanning calorimetry experiments. Visual changes in birefringence of the sample during heating and cooling cycles on a hot-stage microscope with polarized light supported the phase transition. Variable-temperature unit cell check measurements from 300 to 100 K showed discontinuity in the volume and cell parameters near the transition temperature, supporting the first-order behavior. A detailed comparison of the room-temperature orthorhombic form with the low-temperature (100 K) monoclinic form revealed that the strong hydrogen-bonding motif is retained in both crystal systems, whereas the non-covalent interactions involving side chains of the dipeptide differ significantly, leading to a small change in molecular conformation in the monoclinic form as well as a small reorientation of the molecules along the ac plane. A rigid-body thermal motion analysis (translation, libration, screw; correlation of translation and libration) was performed to study the crystal entropy. The reversible nature of the phase transition is probably the result of an interplay between enthalpy and entropy: the low-temperature monoclinic form is enthalpically favored, whereas the room-temperature orthorhombic form is entropically favored.

Dissimilar friction stir welding between aluminum alloy and magnesium alloy at a low rotational speed

A sound weld was obtained between 2024-T3 Al alloy and AZ31B-O Mg alloy dissimilar metal plates of 5 mm thickness, at a rotational speed of 300 rev min(-1) and at a welding speed of 50 mm min(-1). One of the parameter studied was, the effect of interface offset variation, on the quality and properties of the welded samples and on the thickness of intermetallic layer formed in the welded samples. The intermetallic layer at the midst of the weld volume contains intermetallic compounds Al12Mg17 and Al3Mg2. Highest tensile strength of 106.86 MPa, corresponding tensile joint efficiency of 44.52% and corresponding elongation 1.33% were obtained for the tensile sample, with interface offset of 0.66 mm from zero interface offset in retreating side and with approximate least intermetallic thickness of 1.2 mu m. Dissimilar friction stir welded joint samples had failed completely in brittle fracture mode; the position of tensile fracture was located at the midst of intermetallic layer, which had maximum hardness and minimum ductility. The nano hardness values fluctuate in the weld nugget owing to dynamic recrystallization of alloy materials and formation of brittle intermetallic compounds of alloy materials in the weld nugget; maximum hardness of 10.74 GPa occurred for the sample with least intermetallic thickness of 1.2 mu m. (C) 2014 Elsevier B.V. All rights reserved.

Ferrimagnetism and magnetic phase separation in Nd1-xYxMnO3 studied by magnetization and high frequency electron paramagnetic resonance

Ferrimagnetism and metamagnetic features tunable by composition are observed in the magnetic response of Nd1-xYxMnO3, for x=0.1-0.5. For all values of x in the series, the compound crystallizes in orthorhombic Pbnm space group similar to NdMnO3. Magnetization studies reveal a phase transition of the Mn-sublattice below T-N(Mn) approximate to 80 K for all compositions, which, decreases up on diluting the Nd-site with Yttrium. For x=0.35, ferrimagnetism is observed. At 5 K, metamagnetic transition is observed for all compositions x < 0.4. The evolution of magnetic ground states and appearance of ferrimagnetism in Nd1-xYxMnO3 can be accounted for by invoking the scenario of magnetic phase separation. The high frequency electron paramagnetic resonance measurements on x=0.4 sample, which is close to the critical composition for phase separation, revealed complex temperature dependent lineshapes clearly supporting the assumption of magnetic phase separation. (C) 2014 Elsevier B.V. All rights reserved.

Use of a structural alphabet to find compatible folds for amino acid sequences

The structural annotation of proteins with no detectable homologs of known 3D structure identified using sequence-search methods is a major challenge today. We propose an original method that computes the conditional probabilities for the amino-acid sequence of a protein to fit to known protein 3D structures using a structural alphabet, known as Protein Blocks (PBs). PBs constitute a library of 16 local structural prototypes that approximate every part of protein backbone structures. It is used to encode 3D protein structures into 1D PB sequences and to capture sequence to structure relationships. Our method relies on amino acid occurrence matrices, one for each PB, to score global and local threading of query amino acid sequences to protein folds encoded into PB sequences. It does not use any information from residue contacts or sequence-search methods or explicit incorporation of hydrophobic effect. The performance of the method was assessed with independent test datasets derived from SCOP 1.75A. With a Z-score cutoff that achieved 95% specificity (i.e., less than 5% false positives), global and local threading showed sensitivity of 64.1% and 34.2%, respectively. We further tested its performance on 57 difficult CASP10 targets that had no known homologs in PDB: 38 compatible templates were identified by our approach and 66% of these hits yielded correctly predicted structures. This method scales-up well and offers promising perspectives for structural annotations at genomic level. It has been implemented in the form of a web-server that is freely available at http://www.bo-protscience.fr/forsa.

Transverse single spin asymmetry in e plus p up arrow -> e plus J/psi plus X and Q(2) evolution of Sivers function-II

We present estimates of single spin asymmetry in the electroproduction of J/psi taking into account the transverse momentum-dependent (TMD) evolution of the gluon Sivers function. We estimate single spin asymmetry for JLab, HERMES, COMPASS and eRHIC energies using the color evaporation model of J/psi. We have calculated the asymmetry using recent parameters extracted by Echevarria et al. using the Collins-Soper-Sterman approach to TMD evolution. These recent TMD evolution fits are based on the evolution kernel in which the perturbative part is resummed up to next-to-leading logarithmic accuracy. We have also estimated the asymmetry by using parameters which had been obtained by a fit by Anselmino et al., using both an exact numerical and an approximate analytical solution of the TMD evolution equations. We find that the variation among the different estimates obtained using TMD evolution is much smaller than between these on one hand and the estimates obtained using DGLAP evolution on the other. Even though the use of TMD evolution causes an overall reduction in asymmetries compared to the ones obtained without it, they remain sizable. Overall, upon use of TMD evolution, predictions for asymmetries stabilize.

Optimal control of grinding mill circuit using model predictive static programming: A new nonlinear MPC paradigm

The recently developed reference-command tracking version of model predictive static programming (MPSP) is successfully applied to a single-stage closed grinding mill circuit. MPSP is an innovative optimal control technique that combines the philosophies of model predictive control (MPC) and approximate dynamic programming. The performance of the proposed MPSP control technique, which can be viewed as a `new paradigm' under the nonlinear MPC philosophy, is compared to the performance of a standard nonlinear MPC technique applied to the same plant for the same conditions. Results show that the MPSP control technique is more than capable of tracking the desired set-point in the presence of model-plant mismatch, disturbances and measurement noise. The performance of MPSP and nonlinear MPC compare very well, with definite advantages offered by MPSP. The computational speed of MPSP is increased through a sequence of innovations such as the conversion of the dynamic optimization problem to a low-dimensional static optimization problem, the recursive computation of sensitivity matrices and using a closed form expression to update the control. To alleviate the burden on the optimization procedure in standard MPC, the control horizon is normally restricted. However, in the MPSP technique the control horizon is extended to the prediction horizon with a minor increase in the computational time. Furthermore, the MPSP technique generally takes only a couple of iterations to converge, even when input constraints are applied. Therefore, MPSP can be regarded as a potential candidate for online applications of the nonlinear MPC philosophy to real-world industrial process plants. (C) 2014 Elsevier Ltd. All rights reserved.

Impact of diurnal forcing on intraseasonal sea surface temperature oscillations in the Bay of Bengal

The diurnal cycle is an important mode of sea surface temperature (SST) variability in tropical oceans, influencing air-sea interaction and climate variability. Upper ocean mixing mechanisms are significant at diurnal time scales controlling the intraseasonal variability (ISV) of SST. Sensitivity experiments using an Ocean General Circulation Model (OGCM) for the summer monsoon of the year 2007 show that incorporation of diurnal cycle in the model atmospheric forcings improves the SST simulation at both intraseasonal and shorter time scales in the Bay of Bengal (BoB). The increase in SST-ISV amplitudes with diurnal forcing is approximate to 0.05 degrees C in the southern bay while it is approximate to 0.02 degrees C in the northern bay. Increased intraseasonal warming with diurnal forcing results from the increase in mixed layer heat gain from insolation, due to shoaling of the daytime mixed layer. Amplified intraseasonal cooling is dominantly controlled by the strengthening of subsurface processes owing to the nocturnal deepening of mixed layer. In the southern bay, intraseasonal variability is mainly determined by the diurnal cycle in insolation, while in the northern bay, diurnal cycle in insolation and winds have comparable contributions. Temperature inversions (TI) develop in the northern bay in the absence of diurnal variability in wind stress. In the northern bay, SST-ISV amplification is not as large as that in the southern bay due to the weaker diurnal variability of mixed layer depth (MLD) limited by salinity stratification. Diurnal variability of model MLD is not sufficient to create large modifications in mixed layer heat budget and SST-ISV in the northern bay.

Limiting two-Higgs-doublet models

We update the constraints on two-Higgs-doublet models (2HDMs) focusing on the parameter space relevant to explain the present muon g - 2 anomaly, Delta alpha(mu), in four different types of models, type I, II, ``lepton specific'' (or X) and ``flipped'' (or Y). We show that the strong constraints provided by the electroweak precision data on the mass of the pseudoscalar Higgs, whose contribution may account for Delta alpha(mu), are evaded in regions where the charged scalar is degenerate with the heavy neutral one and the mixing angles alpha and beta satisfy the Standard Model limit beta - alpha approximate to pi/2. We combine theoretical constraints from vacuum stability and perturbativity with direct and indirect bounds arising from collider and B physics. Possible future constraints from the electron g - 2 are also considered. If the 126 GeV resonance discovered at the LHC is interpreted as the light CP-even Higgs boson of the 2HDM, we find that only models of type X can satisfy all the considered theoretical and experimental constraints.

Performance Analysis of Space-Shift Keying in Decode-and-Forward Multihop MIMO Networks

In this paper, space-shift keying (SSK) is considered for multihop multiple-input-multiple-output (MIMO) networks. In SSK, only one among n(s) = 2(m) available transmit antennas, chosen on the basis of m information bits, is activated during transmission. We consider two different systems of multihop co-operation, where each node has multiple antennas and employs SSK. In system I, a multihop diversity relaying scheme is considered. In system II, a multihop multibranch relaying scheme is considered. In both systems, we adopt decode-and-forward (DF) relaying, where each relay forwards the signal only when it correctly decodes. We analyze the end-to-end bit error rate (BER) and diversity order of both the systems with SSK. For binary SSK (n(s) = 2), our analytical BER expression is exact, and our numerical results show that the BERs evaluated through the analytical expression overlap with those obtained through Monte Carlo simulations. For nonbinary SSK (n(s) > 2), we derive an approximate BER expression, where the analytically evaluated BER results closely follow the simulated BER results. We show the comparison of the BERs of SSK and conventional phase-shift keying (PSK) and also show the instances where SSK outperforms PSK. We also present the diversity analyses for SSK in systems I and II, which predict the achievable diversity orders as a function of system parameters.

A Modified Sum-Product Algorithm over Graphs with Isolated Short Cycles

We investigate into the limitations of the sum-product algorithm in the probability domain over graphs with isolated short cycles. By considering the statistical dependency of messages passed in a cycle of length 4, we modify the update equations for the beliefs at the variable and check nodes. We highlight an approximate log domain algebra for the modified variable node update to ensure numerical stability. At higher signal-to-noise ratios (SNR), the performance of decoding over graphs with isolated short cycles using the modified algorithm is improved compared to the original message passing algorithm (MPA).

Synthesis, crystal structure and spectroscopic and electrochemical properties of bridged trisbenzoato copper-zinc heterobinuclear complex of 2,2 `-bipyridine

The synthesis of the heterobinuclear copper-zinc complex CuZn(bz)(3)(bpy)(2)]ClO4 (bz = benzoate) from benzoic acid and bipyridine is described. Single crystal X-ray diffraction studies of the heterobinuclear complex reveals the geometry of the benzoato bridged Cu(II)-Zn(II) centre. The copper or zinc atom is pentacoordinate, with two oxygen atoms from bridging benzoato groups and two nitrogen atoms from one bipyridine forming an approximate plane and a bridging oxygen atom from a monodentate benzoate group. The Cu-Zn distance is 3.345 angstrom. The complex is normal paramagnetic having mu(eff) value equal to 1.75 BM, ruling out the possibility of Cu-Cu interaction in the structural unit. The ESR spectrum of the complex in CH3CN at RT exhibit an isotropic four line spectrum centred at g = 2.142 and hyperfine coupling constants A(av) = 63 x 10(-4) cm(-1), characteristic of a mononuclear square-pyramidal copper(II) complexes. At LNT, the complex shows an isotropic spectrum with g(parallel to) = 2.254 and g(perpendicular to) =2.071 and A(parallel to) = 160 x 10(-4) cm(-1). The Hamiltonian parameters are characteristic of distorted square pyramidal geometry. Cyclic voltammetric studies of the complex have indicated quasi-reversible behaviour in acetonitrile solution. (C) 2014 Elsevier B.V. All rights reserved.

Super Resolution Using a Single Image Dictionary

To perform super resolution of low resolution images, state-of-the-art methods are based on learning a pair of lowresolution and high-resolution dictionaries from multiple images. These trained dictionaries are used to replace patches in lowresolution image with appropriate matching patches from the high-resolution dictionary. In this paper we propose using a single common image as dictionary, in conjunction with approximate nearest neighbour fields (ANNF) to perform super resolution (SR). By using a common source image, we are able to bypass the learning phase and also able to reduce the dictionary from a collection of hundreds of images to a single image. By adapting recent developments in ANNF computation, to suit super-resolution, we are able to perform much faster and accurate SR than existing techniques. To establish this claim, we compare the proposed algorithm against various state-of-the-art algorithms, and show that we are able to achieve b etter and faster reconstruction without any training.

REDUCED ORDER MODELLING OF COMBUSTION INSTABILITY IN A BACKWARD FACING STEP COMBUSTOR

This paper develops a fully coupled time domain Reduced Order Modelling (ROM) approach to model unsteady combustion dynamics in a backward facing step combustor The acoustic field equations are projected onto the canonical acoustic eigenmodes of the systems to obtain a coupled system of modal evolution equations. The heat release response of the flame is modelled using the G-equation approach. Vortical velocity fluctuations that arise due to shear layer rollup downstream of the step are modelled using a simplified 1D-advection equation whose phase speed is determined from a linear, local, temporal stability analysis of the shear layer just downstream of the step. The hydrodynamic stability analysis reveals a abrupt change in the value of disturbance phase speed from unity for Re < Re-crit to 0.5 for Re > Re-crit, where Remit for the present geometry was found to be approximate to 10425. The results for self-excited flame response show highly wrinkled flame shapes that are qualitatively similar to those seen in prior experiments of acoustically forced flames. The effect of constructive and destructive interference between the two contributions to flame surface wrinkling results in high amplitude wrinkles for the case when K-c -> 1.