Structure constants of beta deformed super Yang-Mills

We study the structure constants of the N = 1 beta deformed theory perturbatively and at strong coupling. We show that the planar one loop corrections to the structure constants of single trace gauge invariant operators in the scalar sector is determined by the anomalous dimension Hamiltonian. This result implies that 3 point functions of the chiral primaries of the theory do not receive corrections at one loop. We then study the structure constants at strong coupling using the Lunin-Maldacena geometry. We explicitly construct the supergravity mode dual to the chiral primary with three equal U(1) R-charges in the Lunin-Maldacena geometry. We show that the 3 point function of this supergravity mode with semi-classical states representing two other similar chiral primary states but with large U(1) charges to be independent of the beta deformation and identical to that found in the AdS(5) x S-5 geometry. This together with the one-loop result indicate that these structure constants are protected by a non-renormalization theorem. We also show that three point function of U(1) R-currents with classical massive strings is proportional to the R-charge carried by the string solution. This is in accordance with the prediction of the R-symmetry Ward identity.

Energy Hyperspace for Stacking Interaction in AU/AU Dinucleotide Step: Dispersion-Corrected Density Functional Theory Study

Double helical structures of DNA and RNA are mostly determined by base pair stacking interactions, which give them the base sequence-directed features, such as small roll values for the purine-pyrimidine steps. Earlier attempts to characterize stacking interactions were mostly restricted to calculations on fiber diffraction geometries or optimized structure using ab initio calculations lacking variation in geometry to comment on rather unusual large roll values observed in AU/AU base pair step in crystal structures of RNA double helices. We have generated stacking energy hyperspace by modeling geometries with variations along the important degrees of freedom, roll, and slide, which were chosen via statistical analysis as maximally sequence dependent. Corresponding energy contours were constructed by several quantum chemical methods including dispersion corrections. This analysis established the most suitable methods for stacked base pair systems despite the limitation imparted by number of atom in a base pair step to employ very high level of theory. All the methods predict negative roll value and near-zero slide to be most favorable for the purine-pyrimidine steps, in agreement with Calladine's steric clash based rule. Successive base pairs in RNA are always linked by sugar-phosphate backbone with C3-endo sugars and this demands C1-C1 distance of about 5.4 angstrom along the chains. Consideration of an energy penalty term for deviation of C1-C1 distance from the mean value, to the recent DFT-D functionals, specifically B97X-D appears to predict reliable energy contour for AU/AU step. Such distance-based penalty improves energy contours for the other purine-pyrimidine sequences also. (c) 2013 Wiley Periodicals, Inc. Biopolymers 101: 107-120, 2014.

Negative differential resistance and effect of defects and deformations in MoS2 armchair nanoribbon metal-oxide-semiconductor field effect transistor

In this work, we present a study on the negative differential resistance (NDR) behavior and the impact of various deformations (like ripple, twist, wrap) and defects like vacancies and edge roughness on the electronic properties of short-channel MoS2 armchair nanoribbon MOSFETs. The effect of deformation (3 degrees-7 degrees twist or wrap and 0.3-0.7 angstrom ripple amplitude) and defects on a 10 nm MoS2 ANR FET is evaluated by the density functional tight binding theory and the non-equilibrium Green's function approach. We study the channel density of states, transmission spectra, and the I-D-V-D characteristics of such devices under the varying conditions, with focus on the NDR behavior. Our results show significant change in the NDR peak to valley ratio and the NDR window with such minor intrinsic deformations, especially with the ripple. (C) 2013 AIP Publishing LLC.

Detailed investigation of contact deformation in ZrN/Zr multiplayer-understanding the role of volume fraction, bilayer spacing, and morphology of interfaces

A systematic study was done to understand the influence of volume fractions and bilayer spacings for metal/nitride multilayer coating using finite element method (FEM). An axisymmetric model was chosen to model the real situation by incorporating metal and substrate plasticity. Combinations of volume fractions and bilayer spacings were chosen for FEM analysis consistent with experimental results. The model was able to predict trends in cracking with respect to layer spacing and volume fraction. Metal layer plasticity is seen to greatly influence the stress field inside nitride. It is seen that the thicker metal induces higher tensile stresses inside nitride and hence leads to lower cracking loads. Thin metal layers < 10 nm were seen to have curved interfaces, and hence, the deformation mode was interfacial delamination in combination with edge cracking. There is an optimum seen with respect to volume fraction similar to 13% and metal layer thickness similar to 30 nm, which give maximum crack resistance.

MRT Letter: Experimental Verification of Vectorial Theory to Determine Field at the Geometrical Focus of a Cylindrical Lens

We provide experimental evidence supporting the vectorial theory for determining electric field at and near the geometrical focus of a cylindrical lens. This theory provides precise distribution of field and its polarization effects. Experimental results show a close match (approximate to 95% using (2)-test) with the simulation results (obtained using vectorial theory). Light-sheet generated both at low and high NA cylindrical lens shows the importance of vectorial theory for further development of light-sheet techniques. Potential applications are in planar imaging systems (such as, SPIM, IML-SPIM, imaging cytometry) and spectroscopy. Microsc. Res. Tech. 77:105-109, 2014. (c) 2014 Wiley Periodicals, Inc.

Experimental analysis of shape deformation of evaporating droplet using Legendre polynomials

Experiments involving heating of liquid droplets which are acoustically levitated, reveal specific modes of oscillations. For a given radiation flux, certain fluid droplets undergo distortion leading to catastrophic bag type breakup. The voltage of the acoustic levitator has been kept constant to operate at a nominal acoustic pressure intensity, throughout the experiments. Thus the droplet shape instabilities are primarily a consequence of droplet heating through vapor pressure, surface tension and viscosity. A novel approach is used by employing Legendre polynomials for the mode shape approximation to describe the thermally induced instabilities. The two dominant Legendre modes essentially reflect (a) the droplet size reduction due to evaporation, and (b) the deformation around the equilibrium shape. Dissipation and inter-coupling of modal energy lead to stable droplet shape while accumulation of the same ultimately results in droplet breakup. (C) 2013 Elsevier B.V. All rights reserved.

Simulation of inhomogeneous distributions of ultracold atoms in an optical lattice via a massively parallel implementation of nonequilibrium strong-coupling perturbation theory

We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a trap potential. Since the theory is formulated self-consistently, the numerical implementation relies on a massively parallel evaluation of the self-energy and the Green's function at each lattice site, employing thousands of CPUs. While the computation of the self-energy is straightforward to parallelize, the evaluation of the Green's function requires the inversion of a large sparse 10(d) x 10(d) matrix, with d > 6. As a crucial ingredient, our solution heavily relies on the smallness of the hopping as compared to the interaction strength and yields a widely scalable realization of a rapidly converging iterative algorithm which evaluates all elements of the Green's function. Results are validated by comparing with the homogeneous case via the local-density approximation. These calculations also show that the local-density approximation is valid in nonequilibrium setups without mass transport.

EVOLUTION OF DEFORMATION FIELDS IN PLOUGHING OF SAND

This paper reports on an experimental study on the ploughing or orthogonal cutting in sand. Plane strain cutting or ploughing experiments were carried out on model Ottawa sand while being imaged at high resolution. The images obtained were further processed using image analysis and the evolution of the velocity and deformation fields were obtained from these analysis. The deformation fields show the presence of a clear shear zone in which the sand accrues deformation. A net change in the direction of the velocity of the sand is also clearly visible. The effective depth of cut of the sand also increases with continuous cutting as the sand reposes on itself. This deformation mechanics at the incipient stages of cutting is similar to that observed in metal cutting.

Enhanced Gas Adsorption on Graphitic Substrates via Defects and Local Curvature: A Density Functional Theory Study

Using van-der-Waals-corrected density functional theory calculations, we explore the possibility of engineering the local structure and morphology of high-surface-area graphene-derived materials to improve the uptake of methane and carbon dioxide for gas storage and sensing. We test the sensitivity of the gas adsorption energy to the introduction of native point defects, curvature, and the application of strain. The binding energy at topological point defect sites is inversely correlated with the number of missing carbon atoms, causing Stone-Wales defects to show the largest enhancement with respect to pristine graphene (similar to 20%). Improvements of similar magnitude are observed at concavely curved surfaces in buckled graphene sheets under compressive strain, whereas tensile strain tends to weaken gas binding. Trends for CO2 and CH4 are, similar, although CO2 binding is generally stronger by similar to 4 to 5 kJ mol(-1). However, the differential between the adsorption of CO2 and CH4 is much higher on folded graphene sheets and at concave curvatures; this could possibly be leveraged for CH4/CO2 flow separation and gasselective sensors.

Deformation field heterogeneity in punch indentation

Plastic heterogeneity in indentation is fundamental for understanding mechanics of hardness testing and impression-based deformation processing methods. The heterogeneous deformation underlying plane-strain indentation was investigated in plastic loading of copper by a flat punch. Deformation parameters were measured, in situ, by tracking the motion of asperities in high-speed optical imaging. These measurements were coupled with multi-scale analyses of strength, microstructure and crystallographic texture in the vicinity of the indentation. Self-consistency is demonstrated in description of the deformation field using the in situ mechanics-based measurements and post-mortem materials characterization. Salient features of the punch indentation process elucidated include, among others, the presence of a dead-metal zone underneath the indenter, regions of intense strain rate (e. g. slip lines) and extent of the plastic flow field. Perhaps more intriguing are the transitions between shear-type and compression-type deformation modes over the indentation region that were quantified by the high-resolution crystallographic texture measurements. The evolution of the field concomitant to the progress of indentation is discussed and primary differences between the mechanics of indentation for a rigid perfectly plastic material and a strain-hardening material are described.

Dynamic recovery and recrystallization during high-temperature tensile deformation of a free-standing Pt-aluminide bond coat

Free-standing Pt-aluminide (PtAl) bond coat, when subjected to tensile testing at high temperatures (T >= 900 degrees C), exhibits significant decrease in strength and increase in ductility during deformation at strains exceeding that corresponding to the ultimate tensile strength (UTS), i.e., in the post-UTS regime. The stress-strain curve is also marked by serrations in this regime. Electron back scattered diffraction (EBSD) and transmission electron microscopy (TEM) studies suggest dynamic recovery and recrystallization (DRR) as the mechanisms for the observed tensile behavior in the coating. Activation energy values suggest vacancy diffusion assists DRR. The fine recrystallized grains formed after deformation had a strong < 110 > texture. (c) 2014 Elsevier B.V. All rights reserved.

Anomalous power law decay in solvation dynamics of DNA: a mode coupling theory analysis of ion contribution

Several time dependent fluorescence Stokes shift (TDFSS) experiments have reported a slow power law decay in the hydration dynamics of a DNA molecule. Such a power law has neither been observed in computer simulations nor in some other TDFSS experiments. Here we observe that a slow decay may originate from collective ion contribution because in experiments DNA is immersed in a buffer solution, and also from groove bound water and lastly from DNA dynamics itself. In this work we first express the solvation time correlation function in terms of dynamic structure factors of the solution. We use mode coupling theory to calculate analytically the time dependence of collective ionic contribution. A power law decay in seen to originate from an interplay between long-range probe-ion direct correlation function and ion-ion dynamic structure factor. Although the power law decay is reminiscent of Debye-Falkenhagen effect, yet solvation dynamics is dominated by ion atmosphere relaxation times at longer length scales (small wave number) than in electrolyte friction. We further discuss why this power law may not originate from water motions which have been computed by molecular dynamics simulations. Finally, we propose several experiments to check the prediction of the present theoretical work.

Incipient straining in severe plastic deformation methods

Knowledge of the plasticity associated with the incipient stage of chip formation is useful toward developing an understanding of the deformation field underlying severe plastic deformation processes. The transition from a transient state of straining to a steady state was investigated in plane strain machining of a model material system-copper. Characterization of the evolution to a steady-state deformation field was made by image correlation, hardness mapping, load analysis, and microstructure characterization. Empirical relationships relating the deformation heterogeneity and the process parameters were found and explained by the corresponding effects on shear plane geometry. The results are potentially useful to facilitate a framework for process design of large strain deformation configurations, wherein transient deformation fields prevail. These implications are considered in the present study to quantify the efficiency of processing methods for bulk ultrafine-grained metals by large strain extrusion machining and equal channel angular pressing.