X-ray diffraction and Mossbauer spectroscopy studies of cementite dissolution in cold-drawn pearlitic steel

Cementite dissolution in cold-drawn pearlitic steel (0.8 wt.% carbon) wires has been studied by quantitative X-ray diffraction (XRD) and Mossbauer spectroscopy up to drawing strain 1.4. Quantification of cementite-phase fraction by Rietveld analysis has confirmed more than 50% dissolution of cementite phase at drawing strain 1.4. It is found that the lattice parameter of the ferrite phase determined by Rietveld refinement procedure remains nearly unchanged even after cementite dissolution. This confirms that the carbon atoms released after cementite dissolution do not dissolve in the ferrite lattice as Fe-C interstitial solid solution. Detailed analysis of broadening of XRD line profiles for the ferrite phase shows high density of dislocations (approximate to 10(15)/m(2)) in the ferrite matrix at drawing strain 1.4. The results suggest a dominant role of 111 screw dislocations in the cementite dissolution process. Post-deformation heat treatment leads to partial annihilation of dislocations and restoration of cementite phase. Based on these experimental observations, further supplemented by TEM studies, we have suggested an alternative thermodynamic mechanism of the dissolution process.

Microstructure-texture-mechanical properties relationship in multi-pass warm rolled Ti-6Al-4V Alloy

In the present study, high strength bulk ultrafine-grained titanium alloy Ti-6Al-4V bars were successfully processed using multi-pass warm rolling. Ti-6Al-4V bars of 12 mm diameter and several metres long were processed by multi-pass warm rolling at 650 degrees C, 700 degrees C and 750 degrees C. The highest achieved mechanical properties for Ti-6Al-4V in as rolled condition were yield strength 1191 MPa, ultimate tensile strength of 1299 MPa having an elongation of 10% when the rolling temperature was 650 degrees C. The concurrent evolution of microstructure and texture has been studied using optical microscopy, electron back scattered diffraction and x-ray diffraction. The significant improvement in mechanical properties has been attributed to the ultrafine-grained microstructure as well as the morphology of alpha and beta phases in the warm rolled specimens. The warm rolling of Ti-6Al-4V leads to formation of < 10 (1) over bar0 >alpha//RD fibre texture. This study shows that multi-pass warm rolling has potential to eliminate the costly and time consuming heat treatment steps for small diameter bar products, as the solution treated and aged (STA) properties are achievable in the as rolled condition itself. (C) 2013 Elsevier B.V. All rights reserved.

The relationship between classification of multi-domain proteins using an alignment-free approach and their functions: a case study with immunoglobulins

Establishing functional relationships between multi-domain protein sequences is a non-trivial task. Traditionally, delineating functional assignment and relationships of proteins requires domain assignments as a prerequisite. This process is sensitive to alignment quality and domain definitions. In multi-domain proteins due to multiple reasons, the quality of alignments is poor. We report the correspondence between the classification of proteins represented as full-length gene products and their functions. Our approach differs fundamentally from traditional methods in not performing the classification at the level of domains. Our method is based on an alignment free local matching scores (LMS) computation at the amino-acid sequence level followed by hierarchical clustering. As there are no gold standards for full-length protein sequence classification, we resorted to Gene Ontology and domain-architecture based similarity measures to assess our classification. The final clusters obtained using LMS show high functional and domain architectural similarities. Comparison of the current method with alignment based approaches at both domain and full-length protein showed superiority of the LMS scores. Using this method we have recreated objective relationships among different protein kinase sub-families and also classified immunoglobulin containing proteins where sub-family definitions do not exist currently. This method can be applied to any set of protein sequences and hence will be instrumental in analysis of large numbers of full-length protein sequences.

Antimicrobial Peptides with Potential for Biofilm Eradication: Synthesis and Structure Activity Relationship Studies of Battacin Peptides

We report on the first chemical syntheses and structureactivity analyses of the cyclic lipopeptide battacin which revealed that conjugation of a shorter fatty acid, 4-methyl-hexanoic acid, and linearization of the peptide sequence improves antibacterial activity and reduces hemolysis of mouse blood cells. This surprising finding of higher potency in linear lipopeptides than their cyclic counterparts is economically beneficial. This novel lipopeptide was membrane lytic and exhibited antibiofilm activity against Pseudomonas aeruginosa, Staphylococcus aureus, and, for the first time, Pseudomonas syringe pv. actinidiae. The peptide was unstructured in aqueous buffer and dimyristoylphosphatidylcholine-polymerized diacetylene vesicles, with 12% helicity induced in 50% v/v of trifluoroethanol. Our results indicate that a well-defined secondary structure is not essential for the observed antibacterial activity of this novel lipopeptide. A truncated pentapeptide conjugated to 4-methyl hexanoic acid, having similar potency against Gram negative and Gram positive pathogens was identified through alanine scanning.

The Relationship Between Solar Coronal X-Ray Brightness and Active Region Magnetic Fields: A Study Using High-Resolution Hinode Observations

By using high-resolution observations of nearly co-temporal and co-spatial Solar Optical Telescope spectropolarimeter and X-Ray Telescope coronal X-ray data onboard Hinode, we revisit the problematic relationship between global magnetic quantities and coronal X-ray brightness. Co-aligned vector magnetogram and X-ray data were used for this study. The total X-ray brightness over active regions is well correlated with integrated magnetic quantities such as the total unsigned magnetic flux, the total unsigned vertical current, and the area-integrated square of the vertical and horizontal magnetic fields. On accounting for the inter-dependence of the magnetic quantities, we inferred that the total magnetic flux is the primary determinant of the observed integrated X-ray brightness. Our observations indicate that a stronger coronal X-ray flux is not related to a higher non-potentiality of active-region magnetic fields. The data even suggest a slightly negative correlation between X-ray brightness and a proxy of active-region non-potentiality. Although there are small numerical differences in the established correlations, the main conclusions are qualitatively consistent over two different X-ray filters, the Al-poly and Ti-poly filters, which confirms the strength of our conclusions and validate and extend earlier studies that used low-resolution data. We discuss the implications of our results and the constraints they set on theories of solar coronal heating.

Effect of catchment characteristics on the relationship between past discharge and the power law recession coefficient

This study concerns the relationship between the power law recession coefficient k (in - dQ/dt = kQ(alpha), Q being discharge at the basin outlet) and past average discharge Q(N) (where N is the temporal distance from the center of the selected time span in the past to the recession peak), which serves as a proxy for past storage state of the basin. The strength of the k-Q(N) relationship is characterized by the coefficient of determination R-N(2), which is expected to indicate the basin's ability to hold water for N days. The main objective of this study is to examine how R-N(2) value of a basin is related with its physical characteristics. For this purpose, we use streamflow data from 358 basins in the United States and selected 18 physical parameters for each basin. First, we transform the physical parameters into mutually independent principal components. Then we employ multiple linear regression method to construct a model of R-N(2) in terms of the principal components. Furthermore, we employ step-wise multiple linear regression method to identify the dominant catchment characteristics that influence R-N(2) and their directions of influence. Our results indicate that R-N(2) is appreciably related to catchment characteristics. Particularly, it is noteworthy that the coefficient of determination of the relationship between R-N(2) and the catchment characteristics is 0.643 for N = 45. We found that topographical characteristics of a basin are the most dominant factors in controlling the value of R-N(2). Our results may be suggesting that it is possible to tell about the water holding capacity of a basin by just knowing about a few of its physical characteristics. (C) 2015 Elsevier B.V. All rights reserved.

Relationship between entropy and diffusion: A statistical mechanical derivation of Rosenfeld expression for a rugged energy landscape

Diffusion-a measure of dynamics, and entropy-a measure of disorder in the system are found to be intimately correlated in many systems, and the correlation is often strongly non-linear. We explore the origin of this complex dependence by studying diffusion of a point Brownian particle on a model potential energy surface characterized by ruggedness. If we assume that the ruggedness has a Gaussian distribution, then for this model, one can obtain the excess entropy exactly for any dimension. By using the expression for the mean first passage time, we present a statistical mechanical derivation of the well-known and well-tested scaling relation proposed by Rosenfeld between diffusion and excess entropy. In anticipation that Rosenfeld diffusion-entropy scaling (RDES) relation may continue to be valid in higher dimensions (where the mean first passage time approach is not available), we carry out an effective medium approximation (EMA) based analysis of the effective transition rate and hence of the effective diffusion coefficient. We show that the EMA expression can be used to derive the RDES scaling relation for any dimension higher than unity. However, RDES is shown to break down in the presence of spatial correlation among the energy landscape values. (C) 2015 AIP Publishing LLC.

Rapid synthesis of hybrids and hollow PdO nanostructures by controlled in situ dissolution of a ZnO nanorod template: insights into the formation mechanism and thermal stability

Hollow nanomaterials have attracted a lot of interest by virtue of their wide range of applications that arise primarily due to their unique architecture. A common strategy to synthesize hollow nanomaterials is by nucleation of the shell material over a preformed core and subsequent dissolution of the core in the second step. Herein an ultrafast, microwave route has been demonstrated, to synthesize PdO nanotubes in a single step using ZnO as a sacrificial template. The mechanism of the nanotube formation has been investigated in detail using control experiments. By tuning the starting ratio of PdCl2 : ZnO, hollow to hybrid PdO nanostructures could be obtained using the same method. Conversion of the PdO to Pd nanotubes has been shown by simple NaBH4 treatment. The thermal stability of the PdO nanotubes has been studied. The insights presented here are general and applicable for the synthesis of hybrids/hollow structures in other systems as well.

Structure-rheology relationship in a sheared lamellar fluid

The structure-rheology relationship in the shear alignment of a lamellar fluid is studied using a mesoscale model which provides access to the lamellar configurations and the rheology. Based on the equations and free energy functional, the complete set of dimensionless groups that characterize the system are the Reynolds number (rho gamma L-2/mu), the Schmidt number (mu/rho D), the Ericksen number (mu(gamma)/B), the interface sharpness parameter r, the ratio of the viscosities of the hydrophilic and hydrophobic parts mu(r), and the ratio of the system size and layer spacing (L/lambda). Here, rho and mu are the fluid density and average viscosity, (gamma) over dot is the applied strain rate, D is the coefficient of diffusion, B is the compression modulus, mu(r) is the maximum difference in the viscosity of the hydrophilic and hydrophobic parts divided by the average viscosity, and L is the system size in the cross-stream direction. The lattice Boltzmann method is used to solve the concentration and momentum equations for a two dimensional system of moderate size (L/lambda = 32) and for a low Reynolds number, and the other parameters are systematically varied to examine the qualitative features of the structure and viscosity evolution in different regimes. At low Schmidt numbers where mass diffusion is faster than momentum diffusion, there is fast local formation of randomly aligned domains with ``grain boundaries,'' which are rotated by the shear flow to align along the extensional axis as time increases. This configuration offers a high resistance to flow, and the layers do not align in the flow direction even after 1000 strain units, resulting in a viscosity higher than that for an aligned lamellar phase. At high Schmidt numbers where momentum diffusion is fast, the shear flow disrupts layers before they are fully formed by diffusion, and alignment takes place by the breakage and reformation of layers by shear, resulting in defects (edge dislocations) embedded in a background of nearly aligned layers. At high Ericksen number where the viscous forces are large compared to the restoring forces due to layer compression and bending, shear tends to homogenize the concentration field, and the viscosity decreases significantly. At very high Ericksen number, shear even disrupts the layering of the lamellar phase. At low Ericksen number, shear results in the formation of well aligned layers with edge dislocations. However, these edge dislocations take a long time to anneal; the relatively small misalignment due to the defects results in a large increase in viscosity due to high layer stiffness and due to shear localization, because the layers between defects get pinned and move as a plug with no shear. An increase in the viscosity contrast between the hydrophilic and hydrophobic parts does not alter the structural characteristics during alignment. However, there is a significant increase in the viscosity, due to pinning of the layers between defects, which results in a plug flow between defects and a localization of the shear to a part of the domain.