Polymorphism and Phase Transformation Behavior of Solid Forms of 4-Amino-3,5-dinitrobenzamide

We report the preparation, analysis, and phase transformation behavior of polymorphs and the hydrate of 4-amino-3,5-dinitrobenzamide. The compound crystallizes in four different polymorphic forms, Form I (monoclinic, P2(1)/n), Form II (orthorhombic, Pbca), Form III (monoclinic, P2(1)/c), and Form IV (monoclinic, P2(1)/c). Interestingly, a hydrate (triclinic, P (1) over bar) of the compound is also discovered during the systematic identification of the polymorphs. Analysis of the polymorphs has been investigated using hot stage microscopy, differential scanning calorimetry, in situ variable-temperature powder X-ray diffraction, and single-crystal X-ray diffraction. On heating, all of the solid forms convert into Form I irreversibly, and on further heating, melting is observed. In situ single-crystal X-ray diffraction studies revealed that Form II transforms to Form I above 175 degrees C via single-crystal-to-single-crystal transformation. The hydrate, on heating, undergoes a double phase transition, first to Form III upon losing water in a single-crystal-to-single-crystal fashion and then to a more stable polymorph Form I on further heating. Thermal analysis leads to the conclusion that Form II appears to be the most stable phase at ambient conditions, whereas Form I is more stable at higher temperature.

Thermoelectric properties of a Mn substituted synthetic tetrahedrite

Tetrahedrite compounds Cu12-xMnxSb4S13 (0 <= x <= 1.8) were prepared by solid state synthesis. A detailed crystal structure analysis of Cu10.6Mn1.4Sb4S13 was performed by single crystal X-ray diffraction (XRD) at 100, 200 and 300 K confirming the noncentrosymmetric structure (space group I (4) over bar 3m) of a tetrahedrite. The large atomic displacement parameter of the Cu2 atoms was described by splitting the 12e site into a partially and randomly occupied 24g site (Cu22) in addition to the regular 12e site (Cu21), suggesting a mix of dynamic and static off-plane Cu2 atom disorder. Rietveld powder XRD pattern and electron probe microanalysis revealed that all the Mn substituted samples showed a single tetrahedrite phase. The electrical resistivity increased with increasing Mn due to substitution of Mn2+ at the Cu1+ site. The positive Seebeck coefficient for all samples indicates that the dominant carriers are holes. Even though the thermal conductivity decreased as a function of increasing Mn, the thermoelectric figure of merit ZT decreased, because the decrease of the power factor is stronger than the decrease of the thermal conductivity. The maximum ZT = 0.76 at 623 K is obtained for Cu12Sb4S13. The coefficient of thermal expansion 13.5 +/- 0.1 x 10(-6) K-1 is obtained in the temperature range from 460 K to 670 K for Cu10.2Mn1.8Sb4S13. The Debye temperature, Theta(D) = 244 K for Cu10.2Mn1.8Sb4S13, was estimated from an evaluation of the elastic properties. The effective paramagnetic moment 7.45 mu(B)/f.u. for Cu10.2Mn1.8Sb4S13 is fairly consistent with a high spin 3d(5) ground state of Mn.

Optimal values of bipartite entanglement in a tripartite system

For a general tripartite system in some pure state, an observer possessing any two parts will see them in a mixed state. By the consequence of Hughston-Jozsa-Wootters theorem, each basis set of local measurement on the third part will correspond to a particular decomposition of the bipartite mixed state into a weighted sum of pure states. It is possible to associate an average bipartite entanglement ((S) over bar) with each of these decompositions. The maximum value of (S) over bar is called the entanglement of assistance (E-A) while the minimum value is called the entanglement of formation (E-F). An appropriate choice of the basis set of local measurement will correspond to an optimal value of (S) over bar; we find here a generic optimality condition for the choice of the basis set. In the present context, we analyze the tripartite states W and GHZ and show how they are fundamentally different. (C) 2014 Elsevier B.V. All rights reserved.

Enhanced photocatalytic efficiency of AuPd nanoalloy decorated ZnO-reduced graphene oxide nanocomposites

Inhibition of electron-hole pair recombination is the most desirable solution for stimulating photocatalytic activity in semiconductor nanostructures. To implement this, herein we study the photocatalytic efficiency of elemental Au, Pd and bimetallic AuPd nanoalloy decorated pristine and reduced graphene oxide (RGO) hybridized ZnO nanorods for degrading rhodamine 6G (R6G) dye. Fabrication of Au, Pd and AuPd nanoalloy on pristine and RGO modified ZnO nanorods is simple and more importantly surfactant or polymer free. AuPd nanoalloyed ZnO-RGO nanocomposites exhibit higher photocatalytic activity for degrading dye than both Au and Pd hybridized ones, indicating the promising potential of bimetallic nanoalloys over elemental components. A non-monotonic dependence on the composite composition was found by analyzing photodegradation efficiency of a series of ZnO-RGO-AuPd hybrid nanostructures with different weight percentages of RGO. The hybrid nanostructure ZnO-RGO (5 wt%)-AuPd (1 wt%) exhibits highest photodegradation efficiency (similar to 100% degradation in 20 min) with an improvement in rate constant (k) by a factor of 10 compared to that of the ZnO-RGO nanocomposite. The enhancement of the photocatalytic activity is attributed to the better separation of photogenerated charge carriers in photocatalysts thereby suggesting possible usefulness in a broad range of applications, such as sensing, photocatalysis and solar energy conversion.

Independent Positioning of Magnetic Nanomotors

There is considerable interest in powering and maneuvering nanostructures remotely in fluidic media using noninvasive fuel-free methods, for which small homogeneous magnetic fields are ideally suited. Current strategies include helical propulsion of chiral nanostructures, cilia-like motion of flexible filaments, and surface assisted translation of asymmetric colloidal doublets and magnetic nanorods, in all of which the individual structures are moved in a particular direction that is completely tied to the characteristics of the driving fields. As we show in this paper, when we use appropriate magnetic field configurations and actuation time scales, it is possible to maneuver geometrically identical nanostructures in different directions, and subsequently position them at arbitrary locations with respect to each other. The method reported here requires proximity of the nanomotors to a solid surface, and could be useful in applications that require remote and independent control over individual components in microfluidic environments.

Laboratory-frame observables for probing the top-Higgs boson interaction

We investigate methods to explore the CP nature of the t (t) over barh coupling at the LHC, focusing on associated production of the Higgs boson with a t (t) over bar pair. We first discuss the constraints implied by low-energy observables and by the Higgs-rate information from available LHC data, emphasizing that they cannot provide conclusive evidence on the nature of this coupling. We then investigate kinematic observables that could probe the t (t) over barh coupling directly, in particular, quantities that can be constructed out of just laboratory-frame kinematics. We define one such observable by exploiting the fact that t (t) over bar spin correlations do also carry information about the CP nature of the t (t) over barh coupling. Finally, we introduce a CP-odd quantity and a related asymmetry, able to probe CP violation in the t (t) over barh coupling and likewise, constructed out of laboratory-frame momenta only.

Looking for BSM physics using top-quark polarization and decay-lepton kinematic asymmetries

We explore beyond-standard-model (BSM) physics signatures in the l + jets channel of the t (t) over bar pair production process at the Tevatron and the LHC. We study the effects of BSM physics scenarios on the top-quark polarization and on the kinematics of the decay leptons. To this end, we construct asymmetries using the lepton energy and angular distributions. Further, we find their correlations with the top polarization, net charge asymmetry and top forward-backward asymmetry. We show that when used together, these observables can help discriminate effectively between SM and different BSM scenarios, which can lead to varying degrees of top polarization at the Tevatron as well as the LHC. We use two types of colored mediator models to demonstrate the effectiveness of proposed observables, an s-channel axigluon and a u-channel diquark.

Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion

A new monoclinic polymorph, form II (P2(1)/c, Z = 4), has been isolated for 3,4-dimethoxycinnamic acid (DMCA). Its solid-state 2 + 2 photoreaction to the corresponding alpha-truxillic acid is different from that of the first polymorph, the triclinic form I (P (1) over bar, Z = 4) that was reported in 1984. The crystal structures of the two forms are rather different. The two polymorphs also exhibit different photomechanical properties. Form I exhibits photosalient behavior but this effect is absent in form II. These properties can be explained on the basis of the crystal packing in the two forms. The nanoindentation technique is used to shed further insights into these structure-property relationships. A faster photoreaction in form I and a higher yield in form II are rationalized on the basis of the mechanical properties of the individual crystal forms. It is suggested that both Schmidt-type and Kaupp-type topochemistry are applicable for the solid-state trans-cinnamic acid photodimerization reaction. Form I of DMCA is more plastic and seems to react under Kaupp-type conditions with maximum molecular movements. Form II is more brittle, and its interlocked structure seems to favor Schmidt-type topochemistry with minimum molecular movement.

Status of the MSSM Higgs sector using global analysis and direct search bounds, and future prospects at the High Luminosity LHC

In this paper, we search for the regions of the phenomenological minimal supersymmetric standard model (pMSSM) parameter space where one can expect to have moderate Higgs mixing angle (alpha) with relatively light (up to 600 GeV) additional Higgses after satisfying the current LHC data. We perform a global fit analysis using most updated data (till December 2014) from the LHC and Tevatron experiments. The constraints coming from the precision measurements of the rare b-decays B-s -> mu(+)mu(-) and b -> s gamma are also considered. We find that low M-A(less than or similar to 350) and high tan beta(greater than or similar to 25) regions are disfavored by the combined effect of the global analysis and flavor data. However, regions with Higgs mixing angle alpha similar to 0.1-0.8 are still allowed by the current data. We then study the existing direct search bounds on the heavy scalar/pseudoscalar (H/A) and charged Higgs boson (H-+/-) masses and branchings at the LHC. It has been found that regions with low to moderate values of tan beta with light additional Higgses (mass <= 600 GeV) are unconstrained by the data, while the regions with tan beta > 20 are excluded considering the direct search bounds by the LHC-8 data. The possibility to probe the region with tan beta <= 20 at the high luminosity run of LHC are also discussed, giving special attention to the H -> hh, H/A -> t (t) over bar and H/A -> tau(+)tau(-) decay modes.

On variant distribution and coarsening behavior of the a phase in a metastable beta titanium alloy

The stereology, variant distribution and coarsening behavior of semicoherent alpha(hcp) precipitates in a beta(bcc) matrix of a Ti5553 alloy has been analyzed, and a dominant 3-variant cluster has been observed in which the variants are related to each other by an axis-angle pair <<11(2)over bar> 0 >/60 degrees. Shape and spatial distribution independent elastic self and interaction energies for all pairwise and triplet combinations of a have been calculated and it is found that the 3-cluster combination that is experimentally observed most frequently has the lowest energy for the semicoherent state. The coarsening behavior of the delta distribution follows LSW kinetics after an initial transient, and has been modeled by phase field methods. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Thermoelectric properties of indium doped Cu2CdSnSe4

Recently, research in copper-based quaternary chalcogenide materials has been found to be interesting for the study of thermoelectric properties because of their low thermal conductivity due to complex crystal structures. In the present work, stoichiometric quaternary chalcogenide compounds Cu2CdSn1-xInxSe4(x = 0, 0.025, 0.05, 0.1) were prepared by solid state synthesis. The powder X-ray diffraction patterns of all the samples showed a tetragonal crystal structure with the space group I (4) over bar 2m of the main phase. In addition to this phase, a small amount of impurity phase CdSe was present in all the samples, as confirmed by Rietveld analysis. The elemental composition of all the samples characterized by an Electron Probe Micro Analyzer showed a slight deviation from the nominal composition. The transport properties were measured in the temperature range of 350 K-723 K. The positive Seebeck coefficient of all the compounds indicate that the majority carriers are holes. The Seebeck coefficient and electrical resistivity did not follow the trend in the expected manner with In doping, which could be influenced by the presence of the impurity phases. The total thermal conductivity of all the samples was dominated by the lattice thermal conductivity, while the electronic contribution was very small due to the low carrier contribution. A lattice thermal conductivity decrease with an increase of temperature indicates the dominance of phonon-phonon scattering at higher temperatures. The maximum figure of merit zT = 0.30 at 723 K was obtained for the compound Cu2CdSn0.9In0.1Se4. (C) 2016 Elsevier Ltd. All rights reserved.

The effect of alloy composition on instabilities in the beta phase of titanium alloys

A metastable nano-scale disordered precipitate with orthorhombic symmetry has been identified using high resolution scanning transmission electron microscopy. The phase, termed O', is metastable, formed by a shuffle mechanism involving a {110}<1<(1)over bar>0> transverse phonon wave in samples of Ti-26Nb-2Zr (at.%) quenched from the beta phase. The addition of 2% Zr to Ti-26Nb appears to suppress significantly the stability of both the {11 (2) over bar}<111> shear and 2/3 <111> longitudinal phonon wave but promotes the {110}<1<(1)over bar>0> transverse shuffle. This results in the nano-size O' phase being homogeneously formed in the parent beta phase matrix rather than the massive alpha `' phase. (C) 2016 Elsevier B.V. All rights reserved.

A nano-scale instability in the beta phase of dilute Ti-Mo alloys

A nano-scale instability in the beta phase resulting in the formation of the disordered orthorhombic O' phase has been discovered in a fairly dilute binary Ti-Mo alloy, using selected area electron diffraction and high resolution scanning transmission electron microscopy. The O' phase informed in the alloy when the Mo content exceeds a critical value. The instability occurs in beta-solutionized samples that have been quenched to room temperature and is found to co-exist with athermal omega to phase. Interestingly, this nano-scale instability, involving the {110}<1<(1)over bar>0> soft-phonon shuffle, occurs in the beta phase without deliberate additions of either interstitial or substitutional solutes. (C) 2016 Elsevier Ltd. All rights reserved.

Status of the 98-125 GeV Higgs bosons scenario with updated LHC-8 data

In the context of the minimal supersymmetric standard model (MSSM), we discuss the possibility of the lightest Higgs boson with mass M-h = 98 GeV to be consistent with the 2.3 sigma excess observed at the LEP in the decay mode e(+)e(-) -> Zh, with h -> b (b) over bar. In the same region of the MSSM parameter space, the heavier Higgs boson (H) with mass M-H similar to 125 GeV is required to be consistent with the latest data on Higgs coupling measurements at the end of the 7 + 8 TeV LHC run with 25 fb(-1) of data. While scanning the MSSM parameter space, we impose constraints coming from flavor physics, relic density of the cold dark matter as well as direct dark matter searches. We study the possibility of observing this light Higgs boson in vector boson fusion process and associated production with W/Z-boson at the high luminosity (3000 fb(-1)) run of the 14 TeV LHC. Our analysis shows that this scenario can hardly be ruled out even at the high luminosity run of the LHC. However, the precise measurement of the Higgs signal strength ratios can play a major role to distinguish this scenario from the canonical MSSM one.

On the Implementation of a Streaming Video over Peer to Peer network using Middleware Components

Video streaming applications have hitherto been supported by single server systems. A major drawback of such a solution is that it increases the server load. The server restricts the number of clients that can be simultaneously supported due to limitation in bandwidth. The constraints of a single server system can be overcome in video streaming if we exploit the endless resources available in a distributed and networked system. We explore a P2P system for streaming video applications. In this paper we build a P2P streaming video (SVP2P) service in which multiple peers co-operate to serve video segments for new requests, thereby reducing server load and bandwidth used. Our simulation shows the playback latency using SVP2P is roughly 1/4th of the latency incurred when the server directly streams the video. Bandwidth consumed for control messages (overhead) is as low as 1.5% of the total data transfered. The most important observation is that the capacity of the SVP2P grows dynamically.