Einstein relation in n-i-p-i and microstructures of nonlinear optical, optoelectronic and related materials: Simplified theory, relative comparison and suggestions for an experimental determination

We investigate the Einstein relation for the diffusivity-mobility ratio (DMR) for n-i-p-i and the microstructures of nonlinear optical compounds on the basis of a newly formulated electron dispersion law. The corresponding results for III-V, ternary and quaternary materials form a special case of our generalized analysis. The respective DMRs for II-VI, IV-VI and stressed materials have been studied. It has been found that taking CdGeAs2, Cd3As2, InAs, InSb, Hg1−xCdxTe, In1−xGaxAsyP1−y lattices matched to InP, CdS, PbTe, PbSnTe and Pb1−xSnxSe and stressed InSb as examples that the DMR increases with increasing electron concentration in various manners with different numerical magnitudes which reflect the different signatures of the n-i-p-i systems and the corresponding microstructures. We have suggested an experimental method of determining the DMR in this case and the present simplified analysis is in agreement with the suggested relationship. In addition, our results find three applications in the field of quantum effect devices.

Mechanical Anisotropy in Crystalline Saccharin: Nanoindentation Studies

The nanoindentation technique has been employed to relate the mechanical properties of saccharin single crystals with their internal structure. Indentations were performed on (100) and (011) faces to assess the mechanical anisotropy. The load-displacement (P-h) curves indicate significant differences in the nature of the plastic deformation on the two faces. The P-h curves obtained on the (011) plane are smooth, reflecting homogeneous plasticity. However, displacement bursts (pop-ins) are observed in the P-h curves obtained on the (100) plane suggesting a discrete deformation mechanism. Marginal differences exist in the hardness and modulus on the two faces that may, in part, be rationalized, although one notes that saccharin has a largely three-dimensional close-packed structure. The structural origins of the fundamentally different deformation mechanisms on (100) and (011) are discussed in terms of the dimensionality of the hydrogen bonding networks. Down the (100) planes, the saccharin dimers are stacked and are stabilized by nonspecific van der Wants interactions mostly between aromatic rings. However, down the (011) planes, the molecules are stabilized by more directional and cross-linked C-H ... O hydrogen bonds. This anisotropy in crystal packing and interactions is reflected in the mechanical behavior on these faces. The displacements associated with the pop-ins were found to he integral multiples oldie molecule separation distances. Nanoindentation offers an opportunity to compare experimentally, and in a quantitative way, the various intermolecular interactions that fire present in a molecular crystal.

Concise row-pruning algorithm to invert a matrix

Presented here, in a vector formulation, is an O(mn2) direct concise algorithm that prunes/identifies the linearly dependent (ld) rows of an arbitrary m X n matrix A and computes its reflexive type minimum norm inverse A(mr)-, which will be the true inverse A-1 if A is nonsingular and the Moore-Penrose inverse A+ if A is full row-rank. The algorithm, without any additional computation, produces the projection operator P = (I - A(mr)- A) that provides a means to compute any of the solutions of the consistent linear equation Ax = b since the general solution may be expressed as x = A(mr)+b + Pz, where z is an arbitrary vector. The rank r of A will also be produced in the process. Some of the salient features of this algorithm are that (i) the algorithm is concise, (ii) the minimum norm least squares solution for consistent/inconsistent equations is readily computable when A is full row-rank (else, a minimum norm solution for consistent equations is obtainable), (iii) the algorithm identifies ld rows, if any, and reduces concerned computation and improves accuracy of the result, (iv) error-bounds for the inverse as well as the solution x for Ax = b are readily computable, (v) error-free computation of the inverse, solution vector, rank, and projection operator and its inherent parallel implementation are straightforward, (vi) it is suitable for vector (pipeline) machines, and (vii) the inverse produced by the algorithm can be used to solve under-/overdetermined linear systems.

Boxicity and Poset Dimension

Let G be a simple, undirected, finite graph with vertex set V (G) and edge set E(G). A k-dimensional box is a Cartesian product of closed intervals [a(1), b(1)] x [a(2), b(2)] x ... x [a(k), b(k)]. The boxicity of G, box(G), is the minimum integer k such that G can be represented as the intersection graph of k-dimensional boxes; i.e., each vertex is mapped to a k-dimensional box and two vertices are adjacent in G if and only if their corresponding boxes intersect. Let P = (S, P) be a poset, where S is the ground set and P is a reflexive, antisymmetric and transitive binary relation on S. The dimension of P, dim(P), is the minimum integer t such that P can be expressed as the intersection of t total orders. Let G(P) be the underlying comparability graph of P; i.e., S is the vertex set and two vertices are adjacent if and only if they are comparable in P. It is a well-known fact that posets with the same underlying comparability graph have the same dimension. The first result of this paper links the dimension of a poset to the boxicity of its underlying comparability graph. In particular, we show that for any poset P, box(G(P))/(chi(G(P)) - 1) <= dim(P) <= 2box(G(P)), where chi(G(P)) is the chromatic number of G(P) and chi(G(P)) not equal 1. It immediately follows that if P is a height-2 poset, then box(G(P)) <= dim(P) <= 2box(G(P)) since the underlying comparability graph of a height-2 poset is a bipartite graph. The second result of the paper relates the boxicity of a graph G with a natural partial order associated with the extended double cover of G, denoted as G(c): Note that G(c) is a bipartite graph with partite sets A and B which are copies of V (G) such that, corresponding to every u is an element of V (G), there are two vertices u(A) is an element of A and u(B) is an element of B and {u(A), v(B)} is an edge in G(c) if and only if either u = v or u is adjacent to v in G. Let P(c) be the natural height-2 poset associated with G(c) by making A the set of minimal elements and B the set of maximal elements. We show that box(G)/2 <= dim(P(c)) <= 2box(G) + 4. These results have some immediate and significant consequences. The upper bound dim(P) <= 2box(G(P)) allows us to derive hitherto unknown upper bounds for poset dimension such as dim(P) = 2 tree width (G(P)) + 4, since boxicity of any graph is known to be at most its tree width + 2. In the other direction, using the already known bounds for partial order dimension we get the following: (1) The boxicity of any graph with maximum degree Delta is O(Delta log(2) Delta), which is an improvement over the best-known upper bound of Delta(2) + 2. (2) There exist graphs with boxicity Omega(Delta log Delta). This disproves a conjecture that the boxicity of a graph is O(Delta). (3) There exists no polynomial-time algorithm to approximate the boxicity of a bipartite graph on n vertices with a factor of O(n(0.5-is an element of)) for any is an element of > 0 unless NP = ZPP.

The local polynomial hull near a degenerate CR singularity: Bishop discs revisited

Let be a smooth real surface in and let be a point at which the tangent plane is a complex line. How does one determine whether or not is locally polynomially convex at such a p-i.e. at a CR singularity? Even when the order of contact of with at p equals 2, no clean characterisation exists; difficulties are posed by parabolic points. Hence, we study non-parabolic CR singularities. We show that the presence or absence of Bishop discs around certain non-parabolic CR singularities is completely determined by a Maslov-type index. This result subsumes all known facts about Bishop discs around order-two, non-parabolic CR singularities. Sufficient conditions for Bishop discs have earlier been investigated at CR singularities having high order of contact with . These results relied upon a subharmonicity condition, which fails in many simple cases. Hence, we look beyond potential theory and refine certain ideas going back to Bishop.

Evaluation of Fracture Parameters by Double-G, Double-K Models and Crack Extension Resistance for High Strength and Ultra High Strength Concrete Beams

This paper presents the advanced analytical methodologies such as Double- G and Double - K models for fracture analysis of concrete specimens made up of high strength concrete (HSC, HSC1) and ultra high strength concrete. Brief details about characterization and experimentation of HSC, HSC1 and UHSC have been provided. Double-G model is based on energy concept and couples the Griffith's brittle fracture theory with the bridging softening property of concrete. The double-K fracture model is based on stress intensity factor approach. Various fracture parameters such as cohesive fracture toughness (4), unstable fracture toughness (K-Ic(c)), unstable fracture toughness (K-Ic(un)) and initiation fracture toughness (K-Ic(ini)) have been evaluated based on linear elastic fracture mechanics and nonlinear fracture mechanics principles. Double-G and double-K method uses the secant compliance at the peak point of measured P-CMOD curves for determining the effective crack length. Bi-linear tension softening model has been employed to account for cohesive stresses ahead of the crack tip. From the studies, it is observed that the fracture parameters obtained by using double - G and double - K models are in good agreement with each other. Crack extension resistance has been estimated by using the fracture parameters obtained through double - K model. It is observed that the values of the crack extension resistance at the critical unstable point are almost equal to the values of the unstable fracture toughness K-Ic(un) of the materials. The computed fracture parameters will be useful for crack growth study, remaining life and residual strength evaluation of concrete structural components.

Resolution of Singularities for a Class of Hilbert Modules

Let M be the completion of the polynomial ring C(z) under bar] with respect to some inner product, and for any ideal I subset of C (z) under bar], let I] be the closure of I in M. For a homogeneous ideal I, the joint kernel of the submodule I] subset of M is shown, after imposing some mild conditions on M, to be the linear span of the set of vectors {p(i)(partial derivative/partial derivative(w) over bar (1),...,partial derivative/partial derivative(w) over bar (m)) K-I] (., w)vertical bar(w=0), 1 <= i <= t}, where K-I] is the reproducing kernel for the submodule 2] and p(1),..., p(t) is some minimal ``canonical set of generators'' for the ideal I. The proof includes an algorithm for constructing this canonical set of generators, which is determined uniquely modulo linear relations, for homogeneous ideals. A short proof of the ``Rigidity Theorem'' using the sheaf model for Hilbert modules over polynomial rings is given. We describe, via the monoidal transformation, the construction of a Hermitian holomorphic line bundle for a large class of Hilbert modules of the form I]. We show that the curvature, or even its restriction to the exceptional set, of this line bundle is an invariant for the unitary equivalence class of I]. Several examples are given to illustrate the explicit computation of these invariants.

Transition and acoustic response of recirculation structures in an unconfined co-axial isothermal swirling flow

This paper reports the first observations of transition from a pre-vortex breakdown (Pre-VB) flowreversal to a fully developed central toroidal recirculation zone in a non-reacting, double-concentric swirling jet configuration and its response to longitudinal acoustic excitation. This transition proceeds with the formation of two intermediate, critical flow regimes. First, a partially penetrated vortex breakdown bubble (VBB) is formed that indicates the first occurrence of an enclosed structure as the centre jet penetration is suppressed by the growing outer roll-up eddy; resulting in an opposed flow stagnation region. Second, a metastable transition structure is formed that marks the collapse of inner mixing vortices. In this study, the time-averaged topological changes in the coherent recirculation structures are discussed based on the non-dimensional modified Rossby number (Ro(m)) which appears to describe the spreading of the zone of swirl influence in different flow regimes. Further, the time-mean global acoustic response of pre-VB and VBB is measured as a function of pulsing frequency using the relative aerodynamic blockage factor (i.e., maximum radial width of the inner recirculation zone). It is observed that all flow modes except VBB are structurally unstable as they exhibit severe transverse radial shrinkage (similar to 20%) at the burner Helmholtz resonant modes (100-110 Hz). In contrast, all flow regimes show positional instability as seen by the large-scale, asymmetric spatial shifting of the vortex core centres. Finally, the mixing transfer function M (f) and magnitude squared coherence lambda(2)(f) analysis is presented to determine the natural couplingmodes of the system dynamic parameters (u', p'), i.e., local acoustic response. It is seen that the pre-VB flow mode exhibits a narrow-band, low pass filter behavior with a linear response window of 100-105 Hz. However, in the VBB structure, presence of critical regions such as the opposed flow stagnation region alters the linearity range with the structure showing a response even at higher pulsing frequencies (100-300 Hz). (C) 2013 AIP Publishing LLC.

Titania nanotube-modified screen printed carbon electrodes enhance the sensitivity in the electrochemical detection of proteins

The use of titania nanotubes (TiO2-NT) as the working electrode provides a substantial improvement in the electrochemical detection of proteins. A biosensor designed using this strategy provided a robust method to detect protein samples at very low concentrations (C-protein ca 1 ng/mu l). Reproducible measurements on protein samples at this concentration (I-p,I-a of 80 +/- 1.2 mu A) could be achieved using a sample volume of ca 30 mu l. We demonstrate the feasibility of this strategy for the accurate detection of penicillin binding protein, PBP2a, a marker for methicillin resistant Staphylococcus aureus (MRSA). The selectivity and efficiency of this sensor were also validated using other diverse protein preparations such as a recombinant protein tyrosine phosphatase (PTP10D) and bovine serum albumin (BSA). This electrochemical method also presents a substantial improvement in the time taken (few minutes) when compared to conventional enzyme-linked immunosorbent assay (ELISA) protocols. It is envisaged that this sensor could substantially aid in the rapid diagnosis of bacterial infections in resource strapped environments. (C) 2014 Elsevier B.V. All rights reserved.

Polynomial Decompositions in Polynomial Time

Fix a prime p. Given a positive integer k, a vector of positive integers Delta = (Delta(1), Delta(2), ... , Delta(k)) and a function Gamma : F-p(k) -> F-p, we say that a function P : F-p(n) -> F-p is (k, Delta, Gamma)-structured if there exist polynomials P-1, P-2, ..., P-k : F-p(n) -> F-p with each deg(P-i) <= Delta(i) such that for all x is an element of F-p(n), P(x) = Gamma(P-1(x), P-2(x), ..., P-k(x)). For instance, an n-variate polynomial over the field Fp of total degree d factors nontrivially exactly when it is (2, (d - 1, d - 1), prod)- structured where prod(a, b) = a . b. We show that if p > d, then for any fixed k, Delta, Gamma, we can decide whether a given polynomial P(x(1), x(2), ..., x(n)) of degree d is (k, Delta, Gamma)-structured and if so, find a witnessing decomposition. The algorithm takes poly(n) time. Our approach is based on higher-order Fourier analysis.

On the strain rate sensitivity of plastic flow in metallic glasses

The nanoindentation technique was employed to examine the strain rate sensitivity, m, and its dependence on the structural state of a Zr-based bulk metallic glass (BMG). The free volume content in the BMG was varied by examining samples in the as-cast (AC), shot-peened (SP), and structurally relaxed (SR) states. Hardness values measured at different loading rates and over a temperature range of 300-423 K as well as the strain-rate jump tests conducted in the quasi-static regime at room temperature, show that m is always negative. All the load-displacement (P-h) curves in this temperature regime exhibit serrated load-displacement responses, indicating that the shear band mediated inhomogeneous plastic flow governs deformation. Such localization of flow and associated softening is the raison d'etre for the negative m. Significant levels of pile-up around the indents were also noted. The order in the average values of hardness, pile-up heights, and the displacement bursts on the P-h curves was always such that SR > AC > SP, which is also the order of increasing free volume content. These observations were utilized to discuss the reasons for the negative strain rate sensitivity, and its dependence on the structural state of metallic glasses. It is suggested that the positive values of m reported in the literature for them are possibly experimental artefacts that arise due to large pile ups around the indents which lead to erroneous estimation in hardness values. (C) 2014 Elsevier B.V. All rights reserved.

Anisotropic isometric fluctuation relations in experiment and theory on a self-propelled rod

The isometric fluctuation relation (IFR) P. I. Hurtado et al., Proc. Natl. Acad. Sci. USA 108, 7704 (2011)] relates the relative probability of current fluctuations of fixed magnitude in different spatial directions. We test its validity in an experiment on a tapered rod, rendered motile by vertical vibration and immersed in a sea of spherical beads. We analyze the statistics of the velocity vector of the rod and show that they depart significantly from the IFR of Hurtado et al. Aided by a Langevin-equation model we show that our measurements are largely described by an anisotropic generalization of the IFR R. Villavicencio et al., Europhys. Lett. 105, 30009 (2014)], with no fitting parameters, but with a discrepancy in the prefactor whose origin may lie in the detailed statistics of the microscopic noise. The experimentally determined large-deviation function of the velocity vector has a kink on a curve in the plane.

Different Modes of Transactivation of Bacteriophage Mu Late Promoters by Transcription Factor C

Transactivator protein C is required for the expression of bacteriophage Mu late genes from lys, I, P and mom promoters during lytic life cycle of the phage. The mechanism of transcription activation of mom gene by C protein is well understood. C activates transcription at Pmom by initial unwinding of the promoter DNA, thereby facilitating RNA polymerase (RNAP) recruitment. Subsequently, C interacts with the (sic) subunit of RNAP to enhance promoter clearance. The mechanism by which C activates other late genes of the phage is not known. We carried out promoter-polymerase interaction studies with all the late gene promoters to determine the individual step of C mediated activation. Unlike at P-mom, at the other three promoters, RNAP recruitment and closed complex formation are not C dependent. Instead, the action of C at P-lys, P-I, and P-P is during the isomerization from closed complex to open complex with no apparent effect at other steps of initiation pathway. The mechanism of transcription activation of mom and other late promoters by their common activator is different. This distinction in the mode of activation (promoter recruitment and escape versus isomerization) by the same activator at different promoters appears to be important for optimized expression of each of the late genes.