Average Overlap for Clustering Incomplete Data using Symmetric Non-Negative Matrix Factorization

Clustering techniques which can handle incomplete data have become increasingly important due to varied applications in marketing research, medical diagnosis and survey data analysis. Existing techniques cope up with missing values either by using data modification/imputation or by partial distance computation, often unreliable depending on the number of features available. In this paper, we propose a novel approach for clustering data with missing values, which performs the task by Symmetric Non-Negative Matrix Factorization (SNMF) of a complete pair-wise similarity matrix, computed from the given incomplete data. To accomplish this, we define a novel similarity measure based on Average Overlap similarity metric which can effectively handle missing values without modification of data. Further, the similarity measure is more reliable than partial distances and inherently possesses the properties required to perform SNMF. The experimental evaluation on real world datasets demonstrates that the proposed approach is efficient, scalable and shows significantly better performance compared to the existing techniques.

An efficient strategy to develop microwave shielding materials with enhanced attenuation constant

A mutually miscible homopolymer (here polymethyl methacrylate; PMMA) was employed to tailor the interfacial properties of immiscible polycarbonate/styrene acrylonitrile (PC/SAN) blends. In order to design materials that can shield microwave radiation, one of the key properties i.e. electrical conductivity was targeted here using a conducting inclusion; multiwall carbon nanotubes (MWNTs). Owing to higher polarity, MWNTs prefer PC over SAN which though enhance the electrical conductivity of the blends, they don't improve the interfacial properties and results in poor mechanical properties. Hence, an efficient strategy has been adopted here to simultaneously enhance the mechanical, electrical and microwave attenuation properties. Herein, the MWNTs were wrapped by PMMA via in situ polymerization of MMA (methyl methacrylate). This strategy resulted in the migration of PMMA modified MWNTs towards the blend's interface and resulted in an effective stress transfer across the interface leading to improved mechanical and dynamic mechanical properties. Interestingly, the bulk electrical conductivity of the blends was also enhanced, manifesting the improved dispersion of the MWNTs. The state of dispersion of the MWNTs and the phase morphology were assessed using scanning electron microscopy. The microwave attenuation properties were evaluated using a vector network analyzer (VNA) in the X and K-u-band frequencies. The blends with PMMA wrapped MWNTs manifested a -21 dB of shielding effectiveness which suggests attenuation of more than 99% of the incoming microwave radiation. More interestingly, the attenuation constant could be tuned here employing this unique strategy. This study clearly opens a new tool box in designing materials that show improved mechanical, dynamic mechanical, electrical conductivity and microwave shielding properties.

A flame particle tracking analysis of turbulence-chemistry interaction in hydrogen-air premixed flames

Interactions of turbulence, molecular transport, and energy transport, coupled with chemistry play a crucial role in the evolution of flame surface geometry, propagation, annihilation, and local extinction/re-ignition characteristics of intensely turbulent premixed flames. This study seeks to understand how these interactions affect flame surface annihilation of lean hydrogen-air premixed turbulent flames. Direct numerical simulations (DNSs) are conducted at different parametric conditions with a detailed reaction mechanism and transport properties for hydrogen-air flames. Flame particle tracking (FPT) technique is used to follow specific flame surface segments. An analytical expression for the local displacement flame speed (S-d) of a temperature isosurface is considered, and the contributions of transport, chemistry, and kinematics on the displacement flame speed at different turbulence-flame interaction conditions are identified. In general, the displacement flame speed for the flame particles is found to increase with time for all conditions considered. This is because, eventually all flame surfaces and their resident flame particles approach annihilation by reactant island formation at the end of stretching and folding processes induced by turbulence. Statistics of principal curvature evolving in time, obtained using FPT, suggest that these islands are ellipsoidal on average enclosing fresh reactants. Further examinations show that the increase in S-d is caused by the increased negative curvature of the flame surface and eventual homogenization of temperature gradients as these reactant islands shrink due to flame propagation and turbulent mixing. Finally, the evolution of the normalized, averaged, displacement flame speed vs. stretch Karlovitz number are found to collapse on a narrow band, suggesting that a unified description of flame speed dependence on stretch rate may be possible in the Lagrangian description. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Origin of giant dielectric constant and conductivity behavior in Zn1-xMgxO (0 <= x <= 0.1) ceramics

Zn1-xMgxO ( <= x <= 0.1) ceramics were fabricated by conventional solid-state reaction of co-precipitated zinc oxide and magnesium hydroxide nanoparticles. Structural and morphological properties of the fabricated ceramics were studied using X-ray diffraction and scanning electron microscopic analysis. The dielectric measurements of the ceramics were carried out as a function of frequency and temperature respectively. Interestingly, Mg doped ZnO (MZO) samples exhibited colossal dielectric response (similar to 1 x 10(4) at 1 kHz) with Debye like relaxation. The detailed dielectric studies and thermal analyses showed that the unusual dielectric response of the samples were originated from the defected grain and grain boundary (GB) conductivity relaxations due to the absorbed atmospheric water vapor (moisture). Impedance spectroscopy was employed to determine the defected grain and GB resistances, capacitances and which supported Maxwell-Wagner type relaxation phenomena. (C) 2015 Elsevier Ltd. All rights reserved.

Growth stress induced tunability of dielectric permittivity in thin films

Stress is inevitable during thin film growth. It is demonstrated here that the growth stress has a significant effect on the dielectric constant of high-k thin films. ZrO2 thin films were deposited on Ge by reactive direct current sputtering. Stress in these films was measured using in-situ curvature measurement tool. The growth stress was tuned from -2.8 to 0.1 GPa by controlling deposition rate. Dielectric permittivity of ZrO2 depends on temperature, phase, and stress. The correct combination of parameters-phase, texture, and stress-is shown to yield films with an equivalent oxide thickness of 8 angstrom. Growth stresses are shown to affect the dielectric constant both directly by affecting lattice parameter and indirectly through the effect on phase stability of ZrO2. (c) 2016 AIP Publishing LLC.

Negative Cooperativity and High Affinity in Chitooligosaccharide Binding by a Mycobacterium smegmatis Protein Containing LysM and Lectin Domains

LysM domains have been recognized in bacteria and eukaryotes as carbohydrate-binding protein modules, but the mechanism of their binding to chitooligosaccharides has been underexplored. Binding of a Mycobacterium smegmatis protein containing a lectin (MSL) and one LysM domain to chitooligosaccharides has been studied using isothermal titration calorimetry and fluorescence titration that demonstrate the presence of two binding sites of nonidentical affinities per dimeric MSL-LysM molecule. The affinity of the molecule for chitooligosaccharides correlates with the length of the carbohydrate chain. Its binding to chitooligosaccharides is characterized by negative cooperativity in the interactions of the two domains. Apparently, the flexibility of the long linker that connects the LysM and MSL domains plays a facilitating role in this recognition. The LysM domain in the MSL-LysM molecule, like other bacterial domains but unlike plant LysM domains, recognizes equally well peptidoglycan fragments as well as chitin polymers. Interestingly, in the case presented here, two LysM domains are enough for binding to peptidoglycan in contrast to the three reportedly required by the LysM domains of Bacillus subtilis and Lactococcus lactis. Also, the affinity of the MSL-LysM molecule for chitooligosaccharides is higher than that of LysM-chitooligosaccharide interactions reported so far.

MS3ALIGN: an efficient molecular surface aligner using the topology of surface curvature

Background: Aligning similar molecular structures is an important step in the process of bio-molecular structure and function analysis. Molecular surfaces are simple representations of molecular structure that are easily constructed from various forms of molecular data such as 3D atomic coordinates (PDB) and Electron Microscopy (EM) data. Methods: We present a Multi-Scale Morse-Smale Molecular-Surface Alignment tool, MS3ALIGN, which aligns molecular surfaces based on significant protrusions on the molecular surface. The input is a pair of molecular surfaces represented as triangle meshes. A key advantage of MS3ALIGN is computational efficiency that is achieved because it processes only a few carefully chosen protrusions on the molecular surface. Furthermore, the alignments are partial in nature and therefore allows for inexact surfaces to be aligned. Results: The method is evaluated in four settings. First, we establish performance using known alignments with varying overlap and noise values. Second, we compare the method with SurfComp, an existing surface alignment method. We show that we are able to determine alignments reported by SurfComp, as well as report relevant alignments not found by SurfComp. Third, we validate the ability of MS3ALIGN to determine alignments in the case of structurally dissimilar binding sites. Fourth, we demonstrate the ability of MS3ALIGN to align iso-surfaces derived from cryo-electron microscopy scans. Conclusions: We have presented an algorithm that aligns Molecular Surfaces based on the topology of surface curvature. Awebserver and standalone software implementation of the algorithm available at http://vgl.serc.iisc.ernet. in/ms3align.

Outstanding dielectric constant and piezoelectric coefficient in electrospun nanofiber mats of PVDF containing silver decorated multiwall carbon nanotubes: assessing through piezoresponse force microscopy

In order to enhance the piezoelectric b-phase, PVDF was electrospun from DMF solution. The enhanced b-phase was discerned by comparing the electrospun fibers against the melt mixed samples. While both the processes resulted in phase transformation of a-to electroactive b-polymorph in PVDF, the fraction of b-phase was strongly dependent on the adopted process. Two different nanoscopic particles: carboxyl functionalized multiwall carbon nanotubes (CNTs) and silver (Ag) decorated CNTs were used to further enhance the piezoelectric coefficient in the electrospun fibers. Fourier transform infrared spectroscopy (FTIR) and wide-angle X-ray diffraction (XRD) supports the development of piezoelectric b-phase in PVDF. It was concluded that electrospinning was the best technique for inducing the b-polymorph in PVDF. This was attributed to the high voltage electrostatic field that generates extensional forces on the polymer chains that aligns the dipoles in one direction. The ferroelectric and piezoelectric measurement on electrospun fibers were studied using piezo-response force microscope (PFM). The Ag-CNTs filled PVDF electrospun fibers showed the highest piezoelectric coefficient (d(33) = 54 pm V-1) in contrast to PVDF/CNT fibers (35 pm V-1) and neat PVDF (30 pm V-1). This study demonstrates that the piezoelectric coefficient can be enhanced significantly by electrospinning PVDF containing Ag decorated nanoparticles.

Positive isotropic curvature and self-duality in dimension 4

We study a positivity condition for the curvature of oriented Riemannian 4-manifolds: the half-PIC condition. It is a slight weakening of the positive isotropic curvature (PIC) condition introduced by M. Micallef and J. Moore. We observe that the half-PIC condition is preserved by the Ricci flow and satisfies a maximality property among all Ricci flow invariant positivity conditions on the curvature of oriented 4-manifolds. We also study some geometric and topological aspects of half-PIC manifolds.

Smooth Path Planning for Passages with Heading and Curvature Discontinuities

The problem of continuous curvature path planning for passages is considered. This problem arises when an autonomous vehicle traverses between prescribed boundaries such as corridors, tunnels, channels, etc. Passage boundaries with curvature and heading discontinuities pose challenges for generating smooth paths passing through them. Continuous curvature half-S shaped paths derived from the Four Parameter Logistic Curve family are proposed as a prospective path planning solution. Analytic conditions are derived for generating continuous curvature paths confined within the passage boundaries. Zero end curvature highlights the scalability of the proposed solution and its compatibility with other path planners in terms of larger path planning domains. Various scenarios with curvature and heading discontinuities are considered presenting viability of the proposed solution.

Curvature Management in Buffer Layer for Device Quality GaN Growth on Si (111)

An efficient buffer layer scheme has been designed to address the issue of curvature management during metalorganic chemical vapour deposition growth of GaN on Si (111) substrate. This is necessary to prevent cracking of the grown layer during post-growth cooling down from growth temperature to room temperature and to achieve an allowable bow (<40 m) in the wafer for carrying out lithographic processes. To meet both these ends simultaneously, the stress evolution in the buffer layers was observed carefully. The reduction in precursor flow during the buffer layer growth provided better control over curvature evolution in the growing buffer layers. This has enabled the growth of a suitable high electron mobility transistor (HEMT) stack on 2'' Si (111) substrate of 300 m thickness with a bow as low as 11.4 m, having a two-dimensional electron gas (2DEG) of mobility, carrier concentration, and sheet resistance values 1510 cm(2)/V-s, 0.96 x 10(13)/cm(2), and 444 /, respectively. Another variation of similar technique resulted in a bow of 23.4 m with 2DEG mobility, carrier concentration, and sheet resistance values 1960 cm(2)/V-s, 0.98 x 10(13)/cm(2), and 325 /, respectively.