Structure and physical properties of silkworm cocoons

PubMed Central

Chen, Fujia; Porter, David; Vollrath, Fritz

2012-01-01

Silkworm cocoons have evolved a wide range of different structures and combinations of physical and chemical properties in order to cope with different threats and environmental conditions. We present our observations and measurements on 25 diverse types of cocoons in a first attempt to correlate physical properties with the structure and morphology of the cocoons. These two architectural parameters appear to be far more important than the material properties of the silk fibres themselves. We consider tensile and compressive mechanical properties and gas permeation of the cocoon walls, and in each case identify mechanisms or models that relate these properties to cocoon structure, usually based upon non-woven fibre composites. These properties are of relevance also for synthetic non-woven composite materials and our studies will help formulate bio-inspired design principles for new materials. PMID:22552916

Optical and structural behaviors of crosslinked polyvinyl alcohol thin films

NASA Astrophysics Data System (ADS)

Pandit, Subhankar; Kundu, Sarathi

2018-04-01

Polyvinyl Alcohol (PVA) has excellent properties like uniaxial tensile stress, chemical resistance, biocompatibility, etc. The properties of PVA further can be tuned by crosslinking process. In this work, a simple heat treatment method is used to find out the optimum crosslinking of PVA and the corresponding structural and optical responses are explored. The PVA crosslinking is done by exposing the films at different temperatures and time intervals. The optical property of pure and heat treated PVA films are investigated by UV-Vis absorption and photoluminescence emission spectroscopy and structural modifications are studied by Fourier Transform Infrared Spectroscopy (FTIR). The absorption peaks of pure PVA are observed at ≈ 280 and 335 nm and the corresponding emission is observed at ≈ 424 nm. The pure PVA showed modified optical behaviors after the heat treatment. In addition, dipping the PVA films in hot water (85°C) for nearly 20 minutes also show impact on both structural and optical properties. From FTIR spectroscopy, the changes in vibrational band positions confirm the structural modifications of PVA films.

Effect of ion irradiation on the surface, structural and mechanical properties of brass

NASA Astrophysics Data System (ADS)

Ahmad, Shahbaz; Bashir, Shazia; Ali, Nisar; Umm-i-Kalsoom; Yousaf, Daniel; Faizan-ul-Haq; Naeem, Athar; Ahmad, Riaz; Khlaeeq-ur-Rahman, M.

2014-04-01

Modifications to the surface, structural and mechanical properties of brass after ion irradiation have been investigated. Brass targets were bombarded by carbon ions of 2 MeV energy from a Pelletron linear accelerator for various fluences ranging from 56 × 1012 to 26 × 1013 ions/cm2. A scanning electron microscope and X-ray diffractometer were utilized to analyze the surface morphology and crystallographic structure respectively. To explore the mechanical properties e.g., yield stress, ultimate tensile strength and microhardness of irradiated brass, an universal tensile testing machine and Vickers microhardness tester were used. Scanning electron microscopy results revealed an irregular and randomly distributed sputter morphology for a lower ion fluence. With increasing ion fluence, the incoherently shaped structures were transformed into dendritic structures. Nano/micro sized craters and voids, along with the appearance of pits, were observed at the maximum ion fluence. From X-ray diffraction results, no new phases were observed to be formed in the brass upon irradiation. However, a change in the peak intensity and higher and lower angle shifting were observed, which represents the generation of ion-induced defects and stresses. Analyses confirmed modifications in the mechanical properties of irradiated brass. The yield stress, ultimate tensile strength and hardness initially decreased and then increased with increasing ion fluence. The changes in the mechanical properties of irradiated brass are well correlated with surface and crystallographic modifications and are attributed to the generation, augmentation, recombination and annihilation of the ion-induced defects.

Relationships between chemical structure, mechanical properties and materials processing in nanopatterned organosilicate fins.

PubMed

Stan, Gheorghe; Gates, Richard S; Hu, Qichi; Kjoller, Kevin; Prater, Craig; Jit Singh, Kanwal; Mays, Ebony; King, Sean W

2017-01-01

The exploitation of nanoscale size effects to create new nanostructured materials necessitates the development of an understanding of relationships between molecular structure, physical properties and material processing at the nanoscale. Numerous metrologies capable of thermal, mechanical, and electrical characterization at the nanoscale have been demonstrated over the past two decades. However, the ability to perform nanoscale molecular/chemical structure characterization has only been recently demonstrated with the advent of atomic-force-microscopy-based infrared spectroscopy (AFM-IR) and related techniques. Therefore, we have combined measurements of chemical structures with AFM-IR and of mechanical properties with contact resonance AFM (CR-AFM) to investigate the fabrication of 20-500 nm wide fin structures in a nanoporous organosilicate material. We show that by combining these two techniques, one can clearly observe variations of chemical structure and mechanical properties that correlate with the fabrication process and the feature size of the organosilicate fins. Specifically, we have observed an inverse correlation between the concentration of terminal organic groups and the stiffness of nanopatterned organosilicate fins. The selective removal of the organic component during etching results in a stiffness increase and reinsertion via chemical silylation results in a stiffness decrease. Examination of this effect as a function of fin width indicates that the loss of terminal organic groups and stiffness increase occur primarily at the exposed surfaces of the fins over a length scale of 10-20 nm. While the observed structure-property relationships are specific to organosilicates, we believe the combined demonstration of AFM-IR with CR-AFM should pave the way for a similar nanoscale characterization of other materials where the understanding of such relationships is essential.

Quantifying randomness in real networks

NASA Astrophysics Data System (ADS)

Orsini, Chiara; Dankulov, Marija M.; Colomer-de-Simón, Pol; Jamakovic, Almerima; Mahadevan, Priya; Vahdat, Amin; Bassler, Kevin E.; Toroczkai, Zoltán; Boguñá, Marián; Caldarelli, Guido; Fortunato, Santo; Krioukov, Dmitri

2015-10-01

Represented as graphs, real networks are intricate combinations of order and disorder. Fixing some of the structural properties of network models to their values observed in real networks, many other properties appear as statistical consequences of these fixed observables, plus randomness in other respects. Here we employ the dk-series, a complete set of basic characteristics of the network structure, to study the statistical dependencies between different network properties. We consider six real networks--the Internet, US airport network, human protein interactions, technosocial web of trust, English word network, and an fMRI map of the human brain--and find that many important local and global structural properties of these networks are closely reproduced by dk-random graphs whose degree distributions, degree correlations and clustering are as in the corresponding real network. We discuss important conceptual, methodological, and practical implications of this evaluation of network randomness, and release software to generate dk-random graphs.

Redox properties of structural Fe in clay minerals: 3. Relationships between smectite redox and structural properties.

PubMed

Gorski, Christopher A; Klüpfel, Laura E; Voegelin, Andreas; Sander, Michael; Hofstetter, Thomas B

2013-01-01

Structural Fe in clay minerals is an important redox-active species in many pristine and contaminated environments as well as in engineered systems. Understanding the extent and kinetics of redox reactions involving Fe-bearing clay minerals has been challenging due to the inability to relate structural Fe(2+)/Fe(total) fractions to fundamental redox properties, such as reduction potentials (EH). Here, we overcame this challenge by using mediated electrochemical reduction (MER) and oxidation (MEO) to characterize the fraction of redox-active structural Fe (Fe(2+)/Fe(total)) in smectites over a wide range of applied EH-values (-0.6 V to +0.6 V). We examined Fe(2+)/Fe(total )- EH relationships of four natural Fe-bearing smectites (SWy-2, SWa-1, NAu-1, NAu-2) in their native, reduced, and reoxidized states and compared our measurements with spectroscopic observations and a suite of mineralogical properties. All smectites exhibited unique Fe(2+)/Fe(total) - EH relationships, were redox active over wide EH ranges, and underwent irreversible electron transfer induced structural changes that were observable with X-ray absorption spectroscopy. Variations among the smectite Fe(2+)/Fe(total) - EH relationships correlated well with both bulk and molecular-scale properties, including Fe(total) content, layer charge, and quadrupole splitting values, suggesting that multiple structural parameters determined the redox properties of smectites. The Fe(2+)/Fe(total) - EH relationships developed for these four commonly studied clay minerals may be applied to future studies interested in relating the extent of structural Fe reduction or oxidation to EH-values.

Social inheritance can explain the structure of animal social networks

PubMed Central

Ilany, Amiyaal; Akçay, Erol

2016-01-01

The social network structure of animal populations has major implications for survival, reproductive success, sexual selection and pathogen transmission of individuals. But as of yet, no general theory of social network structure exists that can explain the diversity of social networks observed in nature, and serve as a null model for detecting species and population-specific factors. Here we propose a simple and generally applicable model of social network structure. We consider the emergence of network structure as a result of social inheritance, in which newborns are likely to bond with maternal contacts, and via forming bonds randomly. We compare model output with data from several species, showing that it can generate networks with properties such as those observed in real social systems. Our model demonstrates that important observed properties of social networks, including heritability of network position or assortative associations, can be understood as consequences of social inheritance. PMID:27352101

Ligand structure and mechanical properties of single-nanoparticle-thick membranes.

PubMed

Salerno, K Michael; Bolintineanu, Dan S; Lane, J Matthew D; Grest, Gary S

2015-06-01

The high mechanical stiffness of single-nanoparticle-thick membranes is believed to result from the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with a nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH(3)) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Moreover, the particular end group (COOH or CH(3)) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.

Effect of doping of tin on optoelectronic properties of indium oxide: DFT study

NASA Astrophysics Data System (ADS)

Tripathi, Madhvendra Nath

2015-06-01

Indium tin oxide is widely used transparent conductor. Experimentally observed that 6% tin doping in indium oxide is suitable for optoelectronic applications and more doping beyond this limit degrades the optoelectronic property. The stoichiometry (In32-xSnxO48+x/2; x=0-6) is taken to understand the change in lattice parameter, electronic structure, and optical property of ITO. It is observed that lattice parameter increases and becomes constant after 6% tin doping that is in good agreement of the experimental observation. The electronic structure calculation shows that the high tin doping in indium oxide adversely affects the dispersive nature of the bottom of conduction band of pure indium oxide and decreases the carrier mobility. Optical calculations show that transmittance goes down upto 60% for the tin concentration more than 6%. The present paper shows that how more than 6% tin doping in indium oxide adversely affects the optoelectronic property of ITO.

Hydrogen in Earths Lowermost Mantle

NASA Astrophysics Data System (ADS)

Townsend, J. P.; Tsuchiya, J.; Bina, C. R.; Jacobsen, S. D.; Liu, Z.

2013-12-01

The lowermost mantle (D') is characterized by pronounced elastic anisotropy and elevated seismic attenuation. The presence of the post-perovskite (PPv) phase in the D' layer would contribute to these seismic observables, and therefore the influence of compositional variability on the physical properties of PPv should be explored to test mineralogical models of D' against the observed seismic structure. Here, we explore the influence of hydrogen on the physical properties of the PPv phase by first-principles calculations using density functional theory. The presence of hydrogen in the core-mantle boundary region, either as primordial H diffused from the liquid outer core or added by deeply subducted slabs, could potentially influence PPv physical properties and its phase stability. The OH-storage capacity of perovskite is likely much lower than PPv so the presence of OH could also influence the structure of D'. In the upper mantle, even small amounts of OH at concentrations less than 0.1 wt% can influence elastic properties and lattice preferred orientation. To study the possible influence of hydrogen on the physical properties of PPv, we have determined a stable hydrogen defect structure for PPv and its associated elastic properties, thermal stability, and IR signature. We will present a comparison of the observed elastic properties of the D' region with the calculated elastic properties of hPPv, as well as calculated FTIR spectra for comparison to ongoing experiments using a new CO2 laser-heating system and synchrotron-FTIR spectroscopy at the National Synchrotron Light Source.

Analytic studies on satellite detection of severe, two-cell tornadoes

NASA Technical Reports Server (NTRS)

Carrier, G. F.; Dergarabedian, P.; Fendell, F. E.

1979-01-01

It is argued that a two-cell structure is likely to be the unique property, and potentially satellite-accessible observable, of the exceptionally severe tornado. Analysis elucidating the dynamic, thermodynamic, and geometric properties of this two-cell structure is described. The analysis ultimately will furnish instrumentation requirements.

Tailoring physical properties of transglutaminase-modified gelatin films by varying drying temperature

USDA-ARS?s Scientific Manuscript database

Gelatin films prepared with or without transglutaminase (TGase) and dried at 15, 25 and 35 °C were analyzed for polymeric network structure, chemical composition and physical properties. Differences in protein network structure were observed by optical microscopy analysis in freeze-dried film-formin...

In-plane isotropic magnetic and electrical properties of MnAs/InAs/GaAs (111) B hybrid structure

NASA Astrophysics Data System (ADS)

Islam, Md. Earul; Akabori, Masashi

2018-03-01

We characterized in-plane magnetic and electrical properties of MnAs/InAs/GaAs (111) B hybrid structure grown by molecular beam epitaxy (MBE). We observed isotropic easy magnetization in two crystallographic in-plane directions, [ 2 ̅ 110 ] and [ 0 1 ̅ 10 ] of hexagonal MnAs i.e. [ 1 ̅ 10 ] and [ 11 2 ̅ ] of cubic InAs. We also fabricated transmission line model (TLM) devices, and observed almost isotropic electrical properties in two crystallographic in-plane directions, [ 1 ̅ 10 ] and [ 11 2 ̅ ] of cubic InAs. Also we tried to fabricate and characterize lateral spin-valve (LSV) devices from the hybrid structure. We could roughly estimate the spin injection efficiency and the spin diffusion length at room temperature in [ 11 2 ̅ ] direction. We believe that the hybrid structures are helpful to design spintronic device with good flexibility in-plane.

Rationalizing the photophysical properties of BODIPY laser dyes via aromaticity and electron-donor-based structural perturbations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Waddell, Paul G.; Liu, Xiaogang; Zhao, Teng

2015-05-01

The absorption and fluorescence properties of six boron dipyrromethene (BODIPY) laser dyes with simple non-aromatic substituents are rationalized by relating them to observable structural perturbations within the molecules of the dyes. An empirical relationship involving the structure and the optical properties is derived using a combination of single-crystal X-ray diffraction data, quantum chemical calculations and electronic constants: i.e. the tendency of the pyrrole bond lengths towards aromaticity and the UV-vis absorption and fluorescence wavelengths correlating with the electron-donor properties of the substituents. The effect of molecular conformation on the solid-state optical properties of the dyes is also discussed. The findingsmore » in this study also demonstrate the usefulness and limitations of using crystal structure data to develop structure-property relationships in this class of optical materials, contributing to the growing effort to design optoelectronic materials with tunable properties via molecular engineering.« less

Structural and mechanical properties of CVD deposited titanium aluminium nitride (TiAlN) thin films

NASA Astrophysics Data System (ADS)

Das, Soham; Guha, Spandan; Ghadai, Ranjan; Kumar, Dhruva; Swain, Bibhu P.

2017-06-01

Titanium aluminium nitride (TiAlN) thin films were deposited by chemical vapour deposition using TiO2 powder, Al powder and N2 gas. The morphology and mechanical properties of the films were characterized by scanning electron microscopy and nanoindentation technique, respectively. The structural properties were characterized by Raman spectroscopy and X-ray diffraction. The XRD result shows TiAlN films are of NaCl-type metal nitride structure. Micro-Raman peaks of the TiAlN thin film were observed within 450 and 642 cm-1 for acoustic and optic range, respectively. A maximum hardness and Young modulus up to 22 and 272.15 GPa, respectively, were observed in the TiAlN film deposited at 1200 °C.

Structural and critical current properties in Al-doped MgB 2

NASA Astrophysics Data System (ADS)

Zheng, D. N.; Xiang, J. Y.; Lang, P. L.; Li, J. Q.; Che, G. C.; Zhao, Z. W.; Wen, H. H.; Tian, H. Y.; Ni, Y. M.; Zhao, Z. X.

2004-08-01

A series of Al-doped Mg 1- xAl xB 2 samples have been fabricated and systematic study on structure and superconducting properties have been carried out for the samples. In addition to a structural transition observed by XRD, TEM micrographs showed the existence of a superstructure of double c-axis lattice constant along the direction perpendicular to the boron honeycomb sheet. In order to investigate the effect of Al doping on flux pinning and critical current properties in MgB 2, measurements on the superconducting transition temperature Tc, irreversible field Birr and critical current density Jc were performed too, for the samples with the doping levels lower than 0.15 in particular. These experimental observations were discussed in terms of Al doping induced changes in carrier concentration.

Effect of TMP variables upon structure and properties in ODS alloy HDA 8077 sheet. [ThermoMechanical Processing of Oxide Dispersion Strengthened nickel alloy

NASA Technical Reports Server (NTRS)

Rothman, M. F.; Tawancy, H. M.

1980-01-01

The effects of oxide content level and variations in thermomechanical processing upon the final structure and properties of HDA 8077 sheet have been systematically examined. It was found that creep strength and formability are substantially influenced by both oxide content and TMP schedule. Variations in creep properties obtained appear to correlate with observed microstructures.

Understanding luminescence properties of grain boundaries in GaN thin films and their atomistic origin

NASA Astrophysics Data System (ADS)

Yoo, Hyobin; Yoon, Sangmoon; Chung, Kunook; Kang, Seoung-Hun; Kwon, Young-Kyun; Yi, Gyu-Chul; Kim, Miyoung

2018-03-01

We report our findings on the optical properties of grain boundaries in GaN films grown on graphene layers and discuss their atomistic origin. We combine electron backscatter diffraction with cathodoluminescence to directly correlate the structural defects with their optical properties, enabling the high-precision local luminescence measurement of the grain boundaries in GaN films. To further understand the atomistic origin of the luminescence properties, we carefully probed atomic core structures of the grain boundaries by exploiting aberration-corrected scanning transmission electron microscopy. The atomic core structures of grain boundaries show different ordering behaviors compared with those observed previously in threading dislocations. Energetics of the grain boundary core structures and their correlation with electronic structures were studied by first principles calculation.

Inherent structure length in metallic glasses: Simplicity behind complexity

DOE PAGES

Wu, Yuan; Wang, Hui; Cheng, Yongqiang; ...

2015-08-06

One of the central themes in materials science is the structure-property relationship. In conventional crystalline metals, their mechanical behaviour is often dictated by well-defined structural defects such as dislocations, impurities, and twins. However, the structure-property relationship in amorphous alloys is far from being understood, due to great difficulties in characterizing and describing the disordered atomic-level structure. Here, we report a universal, yet simple, correlation between the macroscopic mechanical properties (i.e., yield strength and shear modulus) and a unique characteristic structural length in metallic glasses (MGs). Lastly, our analysis indicates that this characteristic length can incorporate effects of both the inter-atomicmore » distance and valence electron density in MGs, and result in the observed universal correlation. The current findings shed lights on the basic understanding of mechanical properties of MGs from their disordered atomic structures.« less

Relationships between physical properties and sequence in silkworm silks

PubMed Central

Malay, Ali D.; Sato, Ryota; Yazawa, Kenjiro; Watanabe, Hiroe; Ifuku, Nao; Masunaga, Hiroyasu; Hikima, Takaaki; Guan, Juan; Mandal, Biman B.; Damrongsakkul, Siriporn; Numata, Keiji

2016-01-01

Silk has attracted widespread attention due to its superlative material properties and promising applications. However, the determinants behind the variations in material properties among different types of silk are not well understood. We analysed the physical properties of silk samples from a variety of silkmoth cocoons, including domesticated Bombyx mori varieties and several species from Saturniidae. Tensile deformation tests, thermal analyses, and investigations on crystalline structure and orientation of the fibres were performed. The results showed that saturniid silks produce more highly-defined structural transitions compared to B. mori, as seen in the yielding and strain hardening events during tensile deformation and in the changes observed during thermal analyses. These observations were analysed in terms of the constituent fibroin sequences, which in B. mori are predicted to produce heterogeneous structures, whereas the strictly modular repeats of the saturniid sequences are hypothesized to produce structures that respond in a concerted manner. Within saturniid fibroins, thermal stability was found to correlate with the abundance of poly-alanine residues, whereas differences in fibre extensibility can be related to varying ratios of GGX motifs versus bulky hydrophobic residues in the amorphous phase. PMID:27279149

Relationships between physical properties and sequence in silkworm silks

NASA Astrophysics Data System (ADS)

Malay, Ali D.; Sato, Ryota; Yazawa, Kenjiro; Watanabe, Hiroe; Ifuku, Nao; Masunaga, Hiroyasu; Hikima, Takaaki; Guan, Juan; Mandal, Biman B.; Damrongsakkul, Siriporn; Numata, Keiji

2016-06-01

Silk has attracted widespread attention due to its superlative material properties and promising applications. However, the determinants behind the variations in material properties among different types of silk are not well understood. We analysed the physical properties of silk samples from a variety of silkmoth cocoons, including domesticated Bombyx mori varieties and several species from Saturniidae. Tensile deformation tests, thermal analyses, and investigations on crystalline structure and orientation of the fibres were performed. The results showed that saturniid silks produce more highly-defined structural transitions compared to B. mori, as seen in the yielding and strain hardening events during tensile deformation and in the changes observed during thermal analyses. These observations were analysed in terms of the constituent fibroin sequences, which in B. mori are predicted to produce heterogeneous structures, whereas the strictly modular repeats of the saturniid sequences are hypothesized to produce structures that respond in a concerted manner. Within saturniid fibroins, thermal stability was found to correlate with the abundance of poly-alanine residues, whereas differences in fibre extensibility can be related to varying ratios of GGX motifs versus bulky hydrophobic residues in the amorphous phase.

Ligand structure and mechanical properties of single-nanoparticle thick membranes

DOE PAGES

Salerno, Kenneth Michael; Bolintineanu, Dan S.; Lane, J. Matthew D.; ...

2015-06-16

We believe that the high mechanical stiffness of single-nanoparticle-thick membranes is the result of the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with amore » nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH 3) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Additionally, the particular end group (COOH or CH 3) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.« less

Constraining the Dynamical Formation and the Size of the Primordial Building Blocks for Comet 67P/Churyumov-Gerasimenko Using the CONSERT Observations

NASA Astrophysics Data System (ADS)

Heggy, E.; Palmer, E. M.; Kofman, W. W.; Herique, A.; El Maarry, M. R.

2017-12-01

Rosetta's two-year orbital mission at comet 67P/Churyumov-Gerasimenko significantly improved our understanding of the Radar properties of cometary bodies and how they can be used to constrain the ambiguities associated to the dynamical formation of 67P by setting an upper limit on the size of the comet's initial building blocks using the CONSERT, VIRTIS and OSIRIS observations. We present here in an updated post-rendezvous three-dimensional dielectric, textural and structural model of the comet's surface and subsurface at VHF-, X- and S-band radar frequencies. We assess the radar properties of potential structural heterogeneities observed in the upper meters of the shallow subsurface as well as deeper structures across the comet head. We use CONSERT's bistatic radar sounding measurements of the nucleus `head' interior to constrain the dielectric properties and structure of the interior; VIRTIS' multi-spectral observations to constrain the surface mineralogy and the distribution of water-ice on the surface and the implications of the above on the spatial variability of the surface and shallow subsurface dielectric properties. Surface and shallow subsurface structural elements are derived from the OSIRIS' images of exposed outcrops and pit walls. Our dielectric analysis showing the lack of sufficient dielectric contrast correlated with the lack of signal broadening in the 90-MHz radar echoes observed by CONSERT suggests that the the apparent meter-sized inhomogeneities in the walls of deep pits originally interpreted as cometesimals forming the comet's primordial blocks, could be localized evolutionary features of high centered polygons caused by seasonal modifications to the near-subsurface ice formed through thermal expansion and contraction and may not be continuous through the head. Considering the three-dimensional dielectric variability of 67P as derived from CONSERT, VIRTIS, Arecibo observations and laboratory measurement we set an upper limit on the size of the comet's initial building blocks.

Crystal structure and luminescence properties of silver in AgM(PO{sub 3}){sub 3} (M = Mg, Zn, Ba) polyphosphates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belharouak, I.; Parent, C.; Tanguy, B.

1999-06-01

The relationships between the crystal structures and the luminescent properties of the AgM(PO{sub 3}){sub 3} (M = Mg, Zn, Ba) polyphosphates are reported in comparison with those of AgPO{sub 3}. The structure of the magnesium and zinc phosphates is characterized by long polyphosphates chains connected to infinite chains of [AgO{sub 6}] and [MO{sub 6}] polyhedra sharing faces. The basic structural phosphate unit in AgBa(PO{sub 3}){sub 3} is a P{sub 3}O{sub 9} ring. Silver atoms are located in distorted octahedral sites. Two types of luminescent centers have been observed. The UV emission observed in all these materials is typical of isolatedmore » Ag{sup +} ions. The visible emission observed only in the zinc phosphate is probably the result of a silver-zinc association. 16 refs., 8 figs., 3 tabs.« less

Micro-structure and Mechanical Properties of Nano-TiC Reinforced Inconel 625 Deposited using LAAM

NASA Astrophysics Data System (ADS)

Bi, G.; Sun, C. N.; Nai, M. L.; Wei, J.

In this paper, deposition of Ni-base Inconel 625 mixed with nano-TiC powders using laser aided additive manufacturing (LAAM) was studied. Micro-structure and mechanical properties were intensively investigated. The results showed that nano-size TiC distributed uniformly throughout the Ni- matrix. Inconel 625 can be reinforced by the strengthened grain boundaries with nano-size TiC. Improved micro-hardness and tensile properties were observed.

Electronic and structural properties of Lu under pressure: Relation to structural phases of the rare-earth metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Min, B.I.; Oguchi, T.; Jansen, H.J.F.

1986-07-15

Ground-state electronic and structural properties of Lu under pressure are investigated with use of the self-consistent all-electron total-energy linear muffin-tin orbital band-structure method within a local-density-functional approximation. Pressure-induced structural transitions are found to occur in the following sequence: hcp--(Sm-type)--dhcp--fcc, which is the same as that observed in the crystal structures of the trivalent rare-earth metals with decreasing atomic number. This structural transition is correlated with the increase in the number of d-italic electrons under pressure.

Chalcones: structural requirements for antioxidant, estrogenic and antiproliferative activities.

PubMed

Calliste, C A; Le Bail, J C; Trouillas, P; Pouget, C; Habrioux, G; Chulia, A J; Duroux, J L

2001-01-01

Flavonoids are largely studied for their biological properties and particularly for their scavenging and antioxidant activities. In the present study, we first evaluated the antioxidant and the estrogenic actions of chalcones, then we tested their effects on MCF-7 cell proliferation. Chalcones are unique in the flavonoids family in lacking a heterocyclic C ring. We tested substituted chalcones with different numbers and different positions of the hydroxy groups: 2'-hydroxychalcone, 4'-hydroxychalcone, 4-hydroxychalcone, 2',4-dihydroxychalcone, isoliquiritigenin, 2',4'-dihydroxychalcone, phloretin and naringenin chalcone. For the antioxidant tests we established the importance of the alpha-beta double bond and the 6'-hydroxy group. The establishment of the structure-activity relationship for the estrogenic properties showed a correlation between the antioxidant and the estrogenic properties. The importance of conformation and hydroxy group positions observed for chalcones, having antioxidant and estrogenic properties, was also observed on MCF-7 cell growth with the same structure-activity relationship. The role of electron and hydrogen transfer in the correlation between these three biological activities was discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ozkendir, Osman Murat, E-mail: ozkendir@gmail.com

Highlights: • Crystal and electronic structure properties of Nd{sub x}Ti{sub 1−x}BO{sub 2+d} structure were investigated. • New crystal structures for Nd–Ti complexes are determined. • Distortions in the crystal structure were observed as a result of Boron shortage. • Prominent change in electronic properties of the samples with the increasing Nd amount. - Abstract: Neodymium substituted TiBO{sub 3} samples were investigated according to their crystal, electric and electronic properties. Studies were conducted by X-ray absorption fine structure spectroscopy (XAFS) technique for the samples with different substitutions in the preparation processes. To achieve better crystal structure results during the study, XRDmore » pattern results were supported by extended-XAFS (EXAFS) analysis. The electronic structure analysis were studied by X-ray absorption near-edge structure spectroscopy (XANES) measurements at the room temperatures. Due to the substituted Nd atoms, prominent changes in crystal structure, new crystal geometries for Nd-Ti complexes, phase transitions in the crystals structure were detected according to the increasing Nd substitutions in the samples. In the entire stages of the substitutions, Nd atoms were observed as governing the whole phenomena due to their dominant characteristics in Ti geometries. Besides, electrical resistivity decay was determined in the materials with the increasing amount of Nd substitution.« less

Emerging role of Garcinol, the antioxidant chalcone from Garcinia indica Choisy and its synthetic analogs

PubMed Central

Padhye, Subhash; Ahmad, Aamir; Oswal, Nikhil; Sarkar, Fazlul H

2009-01-01

Garcinol, harvested from Garcinia indica, has traditionally been used in tropical regions and appreciated for centuries; however its biological properties are only beginning to be elucidated. There is ample data to suggest potent antioxidant properties of this compound which have been used to explain most of its observed biological activities. However, emerging evidence suggests that garcinol could be useful as an anti-cancer agent, and it is increasingly being realized that garcinol is a pleiotropic agent capable of modulating key regulatory cell signaling pathways. Here we have summarized the progress of our current research knowledge on garcinol and its observed biological activities. We have also provided an explanation of observed properties based on its chemical structure and provided an insight into the structure and properties of chalcones, the precursors of garcinol. The available data is promising but more detailed investigations into the various properties of this compound, particularly its anti-cancer activity are urgently needed, and it is our hope that this review will stimulate further research for elucidating and appreciating the value of this nature's wonder agent. PMID:19725977

Emerging role of Garcinol, the antioxidant chalcone from Garcinia indica Choisy and its synthetic analogs.

PubMed

Padhye, Subhash; Ahmad, Aamir; Oswal, Nikhil; Sarkar, Fazlul H

2009-09-02

Garcinol, harvested from Garcinia indica, has traditionally been used in tropical regions and appreciated for centuries; however its biological properties are only beginning to be elucidated. There is ample data to suggest potent antioxidant properties of this compound which have been used to explain most of its observed biological activities. However, emerging evidence suggests that garcinol could be useful as an anti-cancer agent, and it is increasingly being realized that garcinol is a pleiotropic agent capable of modulating key regulatory cell signaling pathways. Here we have summarized the progress of our current research knowledge on garcinol and its observed biological activities. We have also provided an explanation of observed properties based on its chemical structure and provided an insight into the structure and properties of chalcones, the precursors of garcinol. The available data is promising but more detailed investigations into the various properties of this compound, particularly its anti-cancer activity are urgently needed, and it is our hope that this review will stimulate further research for elucidating and appreciating the value of this nature's wonder agent.

High-frequency viscoelastic shear properties of vocal fold tissues: implications for vocal fold tissue engineering.

PubMed

Teller, Sean S; Farran, Alexandra J E; Xiao, Longxi; Jiao, Tong; Duncan, Randall L; Clifton, Rodney J; Jia, Xinqiao

2012-10-01

The biomechanical function of the vocal folds (VFs) depends on their viscoelastic properties. Many conditions can lead to VF scarring that compromises voice function and quality. To identify candidate replacement materials, the structure, composition, and mechanical properties of native tissues need to be understood at phonation frequencies. Previously, the authors developed the torsional wave experiment (TWE), a stress-wave-based experiment to determine the linear viscoelastic shear properties of small, soft samples. Here, the viscoelastic properties of porcine and human VFs were measured over a frequency range of 10-200 Hz. The TWE utilizes resonance phenomena to determine viscoelastic properties; therefore, the specimen test frequency is determined by the sample size and material properties. Viscoelastic moduli are reported at resonance frequencies. Structure and composition of the tissues were determined by histology and immunochemistry. Porcine data from the TWE are separated into two groups: a young group, consisting of fetal and newborn pigs, and an adult group, consisting of 6-9-month olds and 2+-year olds. Adult tissues had an average storage modulus of 2309±1394 Pa and a loss tangent of 0.38±0.10 at frequencies of 36-200 Hz. The VFs of young pigs were significantly more compliant, with a storage modulus of 394±142 Pa and a loss tangent of 0.40±0.14 between 14 and 30 Hz. No gender dependence was observed. Histological staining showed that adult porcine tissues had a more organized, layered structure than the fetal tissues, with a thicker epithelium and a more structured lamina propria. Elastin fibers in fetal VF tissues were immature compared to those in adult tissues. Together, these structural changes in the tissues most likely contributed to the change in viscoelastic properties. Adult human VF tissues, recovered postmortem from adult patients with a history of smoking or disease, had an average storage modulus of 756±439 Pa and a loss tangent of 0.42±0.10. Contrary to the results of some other investigators, no significant frequency dependence was observed. This lack of observable frequency dependence may be due to the modest frequency range of the experiments and the wide range of stiffnesses observed within nominally similar sample types.

High-Frequency Viscoelastic Shear Properties of Vocal Fold Tissues: Implications for Vocal Fold Tissue Engineering

PubMed Central

Teller, Sean S.; Farran, Alexandra J.E.; Xiao, Longxi; Jiao, Tong; Duncan, Randall L.

2012-01-01

The biomechanical function of the vocal folds (VFs) depends on their viscoelastic properties. Many conditions can lead to VF scarring that compromises voice function and quality. To identify candidate replacement materials, the structure, composition, and mechanical properties of native tissues need to be understood at phonation frequencies. Previously, the authors developed the torsional wave experiment (TWE), a stress-wave-based experiment to determine the linear viscoelastic shear properties of small, soft samples. Here, the viscoelastic properties of porcine and human VFs were measured over a frequency range of 10–200 Hz. The TWE utilizes resonance phenomena to determine viscoelastic properties; therefore, the specimen test frequency is determined by the sample size and material properties. Viscoelastic moduli are reported at resonance frequencies. Structure and composition of the tissues were determined by histology and immunochemistry. Porcine data from the TWE are separated into two groups: a young group, consisting of fetal and newborn pigs, and an adult group, consisting of 6–9-month olds and 2+-year olds. Adult tissues had an average storage modulus of 2309±1394 Pa and a loss tangent of 0.38±0.10 at frequencies of 36–200 Hz. The VFs of young pigs were significantly more compliant, with a storage modulus of 394±142 Pa and a loss tangent of 0.40±0.14 between 14 and 30 Hz. No gender dependence was observed. Histological staining showed that adult porcine tissues had a more organized, layered structure than the fetal tissues, with a thicker epithelium and a more structured lamina propria. Elastin fibers in fetal VF tissues were immature compared to those in adult tissues. Together, these structural changes in the tissues most likely contributed to the change in viscoelastic properties. Adult human VF tissues, recovered postmortem from adult patients with a history of smoking or disease, had an average storage modulus of 756±439 Pa and a loss tangent of 0.42±0.10. Contrary to the results of some other investigators, no significant frequency dependence was observed. This lack of observable frequency dependence may be due to the modest frequency range of the experiments and the wide range of stiffnesses observed within nominally similar sample types. PMID:22741523

Electrical properties of crystallized 30B2O3-70V2O5 glass

NASA Astrophysics Data System (ADS)

Gwoo, Donggun; Kim, Taehee; Han, Kyungseok; Choi, Wongyu; Kim, Jonghwan; Ryu, Bongki

2013-05-01

30B2O3-70V2O5 binary-system glass was prepared, and variations in structural and electrical property were examined using crystallization. While different related research studies exist, few have evaluated the variations in the structure and properties with changes in the crystallization rate. 30B2O3-70V2O5 glass was annealed in the graphite mold above the glass transition temperature for 2 h and heat-treated at each crystallization temperature for 3 h. 30B2O3-70V2O5 glass showed predominantly electronic conductive characteristic. FTIR was preferentially used for analyzing the structural changes of B-O bond after crystallization, while XRD was utilized to verify the inferred changes in the structure array (BO3 + V2O5 ↔ BO4 + 2VO2). Structural changes induced by heat treatment were confirmed by analyzing the molecular volume determined from the sample density, and conductance was measured to correlate structural and property changes. Conductivity is discussed based on the migration of vanadate ions with different valence states because of the increase in VO2 crystallinity at 130°C, which, however, was not observed at 170°C. After VO2 structures were reinforced, a 1.8-fold increase in conductance was observed (as compared to the annealed sample) after crystallization at 130°C for 3 h.

Effect of doping of tin on optoelectronic properties of indium oxide: DFT study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tripathi, Madhvendra Nath, E-mail: ommadhav27@gmail.com

2015-06-24

Indium tin oxide is widely used transparent conductor. Experimentally observed that 6% tin doping in indium oxide is suitable for optoelectronic applications and more doping beyond this limit degrades the optoelectronic property. The stoichiometry (In{sub 32-x}Sn{sub x}O{sub 48+x/2}; x=0-6) is taken to understand the change in lattice parameter, electronic structure, and optical property of ITO. It is observed that lattice parameter increases and becomes constant after 6% tin doping that is in good agreement of the experimental observation. The electronic structure calculation shows that the high tin doping in indium oxide adversely affects the dispersive nature of the bottom ofmore » conduction band of pure indium oxide and decreases the carrier mobility. Optical calculations show that transmittance goes down upto 60% for the tin concentration more than 6%. The present paper shows that how more than 6% tin doping in indium oxide adversely affects the optoelectronic property of ITO.« less

Factor Structure and Validity of the Therapy Process Observational Coding System for Child Psychotherapy--Alliance Scale

ERIC Educational Resources Information Center

Fjermestad, Krister W.; McLeod, Bryce D.; Heiervang, Einar R.; Havik, Odd E.; Ost, Lars-Goran; Haugland, Bente S. M.

2012-01-01

The aim of this study was to examine the factor structure and psychometric properties of an observer-rated youth alliance measure, the Therapy Process Observational Coding System for Child Psychotherapy-Alliance scale (TPOCS-A). The sample was 52 youth diagnosed with anxiety disorders ("M" age = 12.43, "SD" = 2.23, range = 15;…

Bismuth-, Tin-, and Lead-Containing Metal-Organic Materials: Synthesis, Structure, Photoluminescence, Second Harmonic Generation, and Ferroelectric Properties

NASA Astrophysics Data System (ADS)

Wibowo, Arief Cahyo

Metal-Organic Materials (MOMs) contain metal moieties and organic ligands that combine to form discrete (e.g. metal-organic polyhedra, spheres or nanoballs, metal-organic polygons) or polymeric structures with one-, two-, or three-dimensional periodicities that can exhibit a variety of properties resulting from the presence of the metal moieties and/or ligand connectors in the structure. To date, MOMs with a range of functional attributes have been prepared, including record-breaking porosity, catalytic properties, molecular magnetism, chemical separations and sensing ability, luminescence and NLO properties, multiferroic, ferroelectric, and switchable molecular dielectric properties. We are interested in synthesizing non-centrosymmetric MOM single crystals possessing one of the ten polar space groups required for non-linear optical properties (such as second harmonic generation) and ferroelectric applications. This thesis is divided into two main parts: materials with optical properties, such as photoluminescence and materials for targeted applications such as second harmonic generation and ferroelectric properties. This thesis starts with an introduction describing material having centrosymmetric, non-polar space groups, single crystals structures and their photoluminescence properties. These crystals exhibit very interesting and rare structures as well as interesting photoluminescence properties. Chapters 2-5 of this thesis focus on photoluminescent properties of new MOMs, and detail the exploratory research involving the comparatively rare bismuth, lead, and tin coordination polymers. Specifically, the formation of single white-light emitting phosphors based on the combination of bismuth or lead with pyridine-2,5-dicarboxylate is discussed (Chapter 2). The observation of a new Bi2O2 layer and a new Bi4O 3 chain in bismuth terephthalate-based coordination polymers is presented in Chapter 3, while the formation of diverse structures of tin-based coordination polymer ranging from 1D supramolecular structures to true 3D coordination polymers is covered in Chapter 4. The observation of a new 2D Kagome lattice and unique layered perovskite-type bismuth-based coordination polymers and their photoluminescence properties is the focus of Chapter 5. In chapters 6 and 7, a successful approach to implement our novel hybrid strategy for synthesizing enantiomerically pure single crystals consisting of Second Order Jahn Teller (SOJT)-possessing main group metal cations, specifically bismuth and tin, and homochiral ligands or unsymmetric ligands is discussed. The new MOMs with polar space groups exhibit second harmonic generation and have potential for ferroelectric properties.

Structural Properties of Silk Electro-Gels

NASA Astrophysics Data System (ADS)

Tabatabai, A. P.; Urbach, J. S.; Blair, D. L.; Kaplan, D. L.

2013-03-01

The interest in Bombyx Mori silk emerges from its biocompatibility and its structural superiority to synthetic polymers. Our particular interest lies in understanding the capabilities of silk electro-gels because of their reversibility and tunable adhesion. We create an electro-gel by applying a DC electric potential across a reconstituted silk fibroin solution derived directly from Bombyx Mori cocoons. This process leads to the intermolecular self-assembly of fibroin proteins into a weak gel. In this talk we will present our results on the effects of applied shear on electro-gels. We quantify the structural properties while dynamically imaging shear induced fiber formation; known as fibrillogenesis. It is observed that the mechanical properties and microstructure of these materials are highly dependent on shear history. We will also discuss the role of surface modification, through micro-patterning, on the observed gel structure. Our results provide an understanding of both the viscoelastiticity and microstucture of reconstituted silks that are being utilized as tissue scaffolds. This work is supported by a grant from the AFOSR FA9550-07-1-0130.

Ordered water structure at hydrophobic graphite interfaces observed by 4D, ultrafast electron crystallography

PubMed Central

Yang, Ding-Shyue; Zewail, Ahmed H.

2009-01-01

Interfacial water has unique properties in various functions. Here, using 4-dimensional (4D), ultrafast electron crystallography with atomic-scale spatial and temporal resolution, we report study of structure and dynamics of interfacial water assembly on a hydrophobic surface. Structurally, vertically stacked bilayers on highly oriented pyrolytic graphite surface were determined to be ordered, contrary to the expectation that the strong hydrogen bonding of water on hydrophobic surfaces would dominate with suppressed interfacial order. Because of its terrace morphology, graphite plays the role of a template. The dynamics is also surprising. After the excitation of graphite by an ultrafast infrared pulse, the interfacial ice structure undergoes nonequilibrium “phase transformation” identified in the hydrogen-bond network through the observation of structural isosbestic point. We provide the time scales involved, the nature of ice-graphite structural dynamics, and relevance to properties related to confined water. PMID:19246378

Consequence of oxidant to monomer ratio on optical and structural properties of Polypyrrole thin film deposited by oxidation polymerization technique

NASA Astrophysics Data System (ADS)

Jatratkar, Aviraj A.; Yadav, Jyotiprakash B.; Kamat, Sandip V.; Patil, Vaishali S.; Mahadik, D. B.; Barshilia, Harish C.; Puri, Vijaya; Puri, R. K.

2015-05-01

This paper reports the effect of oxidant to monomer (O/M) ratio on optical and structural properties of Polypyrrole (PPy) thin film deposited by chemical oxidation polymerization technique. Noticeable changes have observed in the properties of PPy thin films with O/M ratio. Cauliflower structure have been observed in FE-SEM images, wherein grain size is observed to decrease with increase in O/M ratio. AFM results are in good agreement with FE-SEM results. From FTIR spectra it is found that, PPy is in highly oxidized form at low O/M ratio but oxidation decreased with increase in O/M ratio. Also C-C stretching vibrations of PPy ring is decreased whereas C=C stretching is increased with ratio. Absorption peak around 450 nm corresponds to π-π* transition and around 800 nm for polarons and bipolarons. The intensity of such peaks confirms the conductivity of PPy, which is observed maximum at low O/M ratio and found to decrease with increase in ratio. Optical band gap (BG) is found to increase from 2.07 eV to 2.11 eV with increase in the O/M ratio.

Morphology and Magnetic Properties of Ferriferous Two-Phase Sodium Borosilicate Glasses

PubMed Central

Naberezhnov, Alexander; Porechnaya, Nadezda; Nizhankovskii, Viktor; Filimonov, Alexey; Nacke, Bernard

2014-01-01

This contribution is devoted to the study of morphology and magnetic properties of sodium borosilicate glasses with different concentrations (15, 20, and 25 wt.%) of α-Fe2O3 in an initial furnace charge. These glasses were prepared by a melt-quenching method. For all glasses a coexistence of drop-like and two-phase interpenetrative structures is observed. The most part of a drop structure is formed by self-assembling iron oxides particles. All types of glasses demonstrate the magnetic properties and can be used for preparation of porous magnetic matrices with nanometer through dendrite channel structure. PMID:25162045

Simulation Analysis and Performance Study of CoCrMo Porous Structure Manufactured by Selective Laser Melting

NASA Astrophysics Data System (ADS)

Guoqing, Zhang; Junxin, Li; Jin, Li; Chengguang, Zhang; Zefeng, Xiao

2018-04-01

To fabricate porous implants with improved biocompatibility and mechanical properties that are matched to their application using selective laser melting (SLM), flow within the mold and compressive properties and performance of the porous structures must be comprehensively studied. Parametric modeling was used to build 3D models of octahedron and hexahedron structures. Finite element analysis was used to evaluate the mold flow and compressive properties of the parametric porous structures. A DiMetal-100 SLM molding apparatus was used to manufacture the porous structures and the results evaluated by light microscopy. The results showed that parametric modeling can produce robust models. Square structures caused higher blood cell adhesion than cylindrical structures. "Vortex" flow in square structures resulted in chaotic distribution of blood elements, whereas they were mostly distributed around the connecting parts in the cylindrical structures. No significant difference in elastic moduli or compressive strength was observed in square and cylindrical porous structures of identical characteristics. Hexahedron, square and cylindrical porous structures had the same stress-strain properties. For octahedron porous structures, cylindrical structures had higher stress-strain properties. Using these modeling and molding results, an important basis for designing and the direct manufacture of fixed biological implants is provided.

Simulation Analysis and Performance Study of CoCrMo Porous Structure Manufactured by Selective Laser Melting

NASA Astrophysics Data System (ADS)

Guoqing, Zhang; Junxin, Li; Jin, Li; Chengguang, Zhang; Zefeng, Xiao

2018-05-01

To fabricate porous implants with improved biocompatibility and mechanical properties that are matched to their application using selective laser melting (SLM), flow within the mold and compressive properties and performance of the porous structures must be comprehensively studied. Parametric modeling was used to build 3D models of octahedron and hexahedron structures. Finite element analysis was used to evaluate the mold flow and compressive properties of the parametric porous structures. A DiMetal-100 SLM molding apparatus was used to manufacture the porous structures and the results evaluated by light microscopy. The results showed that parametric modeling can produce robust models. Square structures caused higher blood cell adhesion than cylindrical structures. "Vortex" flow in square structures resulted in chaotic distribution of blood elements, whereas they were mostly distributed around the connecting parts in the cylindrical structures. No significant difference in elastic moduli or compressive strength was observed in square and cylindrical porous structures of identical characteristics. Hexahedron, square and cylindrical porous structures had the same stress-strain properties. For octahedron porous structures, cylindrical structures had higher stress-strain properties. Using these modeling and molding results, an important basis for designing and the direct manufacture of fixed biological implants is provided.

Combining mineral physics with seismic observations: What can we deduce about the thermochemical structure of the Earth's deep interior?

NASA Astrophysics Data System (ADS)

Cobden, L. J.

2017-12-01

Mineral physics provides the essential link between seismic observations of the Earth's interior, and laboratory (or computer-simulated) measurements of rock properties. In this presentation I will outline the procedure for quantitative conversion from thermochemical structure to seismic structure (and vice versa) using the latest datasets from seismology and mineralogy. I will show examples of how this method can allow us to infer major chemical and dynamic properties of the deep mantle. I will also indicate where uncertainties and limitations in the data require us to exercise caution, in order not to "over-interpret" seismic observations. Understanding and modelling these uncertainties serves as a useful guide for mineralogists to ascertain which mineral parameters are most useful in seismic interpretation, and enables seismologists to optimise their data assembly and inversions for quantitative interpretations.

Effect of high pressure homogenization on the structure and the interfacial and emulsifying properties of β-lactoglobulin.

PubMed

Ali, Ali; Le Potier, Isabelle; Huang, Nicolas; Rosilio, Véronique; Cheron, Monique; Faivre, Vincent; Turbica, Isabelle; Agnely, Florence; Mekhloufi, Ghozlene

2018-02-15

The effect of high pressure homogenization (HPH) on the structure of β-lactoglobulin (β-lg) was studied by combining spectroscopic, chromatographic, and electrophoretic methods. The consequences of the resulting structure modifications on oil/water (O/W) interfacial properties were also assessed. Moderated HPH treatment (100 MPa/4 cycles) showed no significant modification of protein structure and interfacial properties. However, a harsher HPH treatment (300 MPa/5 cycles) induced structural transformation, mainly from β-sheets to random coils, wide loss in lipocalin core, and protein aggregation via intermolecular disulfide bridges. HPH-modified β-lg displayed higher surface hydrophobicity leading to a faster adsorption rate at the interface and an earlier formation of an elastic interfacial film at C β-lg  = 0.1 wt%. However, no modification of the interfacial properties was observed at C β-lg  = 1 wt%. At this protein concentration, the prior denaturation of β-lg by HPH did not modify the droplet size of nanoemulsions prepared with these β-lg solutions as the aqueous phases. A slightly increased creaming rate was however observed. The effects of HPH and heat denaturations appeared qualitatively similar, but with differences in their extent. Copyright © 2017 Elsevier B.V. All rights reserved.

Surface Structure and Wetting Characteristics of Collembola Cuticles

PubMed Central

Gundersen, Håkon; Leinaas, Hans Petter; Thaulow, Christian

2014-01-01

The cuticles of the arthropods Collembola (springtails) are known to be superhydrophobic, displaying such properties as water-repellence and plastron formation; overhanging surface structures have been suggested as the source of these properties. Superhydrophobicity is closely related to surface structuring and other surfaces with overhanging structures have been shown to possess robust superhydrophobic properties. In effort to correlate the wetting performance and surface structuring of the cuticles, from both a technical and evolutionary point of view, we investigated a selection of Collembola species including species from several families and covering habitats ranging from aquatic to very dry. The observed contact angles of wetting was in general larger than those predicted by the conventional models. Not all the studied Collembola were found to have superhydrophobic properties, indicating that superhydrophobicity is common, but not a universal trait in Collembola. Overhanging structures were found in some, but not all Collembola species with superhydrophobic cuticles; which leads to the conclusion that there is no direct link between overhanging surface structures and superhydrophobicity in Collembola. PMID:24498281

CHIMERA: Top-down model for hierarchical, overlapping and directed cluster structures in directed and weighted complex networks

NASA Astrophysics Data System (ADS)

Franke, R.

2016-11-01

In many networks discovered in biology, medicine, neuroscience and other disciplines special properties like a certain degree distribution and hierarchical cluster structure (also called communities) can be observed as general organizing principles. Detecting the cluster structure of an unknown network promises to identify functional subdivisions, hierarchy and interactions on a mesoscale. It is not trivial choosing an appropriate detection algorithm because there are multiple network, cluster and algorithmic properties to be considered. Edges can be weighted and/or directed, clusters overlap or build a hierarchy in several ways. Algorithms differ not only in runtime, memory requirements but also in allowed network and cluster properties. They are based on a specific definition of what a cluster is, too. On the one hand, a comprehensive network creation model is needed to build a large variety of benchmark networks with different reasonable structures to compare algorithms. On the other hand, if a cluster structure is already known, it is desirable to separate effects of this structure from other network properties. This can be done with null model networks that mimic an observed cluster structure to improve statistics on other network features. A third important application is the general study of properties in networks with different cluster structures, possibly evolving over time. Currently there are good benchmark and creation models available. But what is left is a precise sandbox model to build hierarchical, overlapping and directed clusters for undirected or directed, binary or weighted complex random networks on basis of a sophisticated blueprint. This gap shall be closed by the model CHIMERA (Cluster Hierarchy Interconnection Model for Evaluation, Research and Analysis) which will be introduced and described here for the first time.

Two-dimensional microsphere quasi-crystal: fabrication and properties

NASA Astrophysics Data System (ADS)

Noginova, Natalia E.; Venkateswarlu, Putcha; Kukhtarev, Nickolai V.; Sarkisov, Sergey S.; Noginov, Mikhail A.; Caulfield, H. John; Curley, Michael J.

1996-11-01

2D quasi-crystals were fabricated from polystyrene microspheres and characterized for their structural, diffraction, and non-linear optics properties. The quasi- crystals were produced with the method based on Langmuir- Blodgett thin film technique. Illuminating the crystal with the laser beam, we observed the diffraction pattern in the direction of the beam propagation and in the direction of the back scattering, similar to the x-ray Laue pattern observed in regular crystals with hexagonal structure. The absorption spectrum of the quasi-crystal demonstrated two series of regular maxima and minima, with the spacing inversely proportional to the microspheres diameter. Illumination of the dye-doped microspheres crystal with Q- switched radiation of Nd:YAG laser showed the enhancement of non-linear properties, in particular, second harmonic generation.

Optical properties of zinc titanate perovskite prepared by reactive RF sputtering

NASA Astrophysics Data System (ADS)

Müllerová, Jarmila; Šutta, Pavol; Medlín, Rostislav; Netrvalová, Marie; Novák, Petr

2017-12-01

In this paper we report results from optical transmittance spectroscopy complemented with data on structure from XRD measurements to determine optical properties of a series of ZnTiO3 perovskite thin films deposited on glass by reactive magnetron co-sputtering. The members of the series differ by the titanium content that was revealed as an origin of the changes not only in structure but also in dispersive optical properties. Low porosity has been discovered and calculated using the Bruggeman effective medium approximation. An apparent blue-shift of the optical band gap energies with increasing titanium content was observed. The observed band gap engineering is a good prospective for eg optoelectronic and photocatalytic applications of ZnTiO3.

Ionic and Optical Properties of Methylammonium Lead Iodide Perovskite across the Tetragonal-Cubic Structural Phase Transition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoque, Md Nadim Ferdous; Islam, Nazifah; Li, Zhen

Practical hybrid perovskite solar cells (PSCs) must endure temperatures above the tetragonal-cubic structural phase transition of methylammonium lead iodide (MAPbI3). However, the ionic and optical properties of MAPbI3 in such a temperature range, and particularly, dramatic changes in these properties resulting from a structural phase transition, are not well studied. Herein, we report a striking contrast at approximately 45 degrees C in the ionic/electrical properties of MAPbl3 owing to a change of the ion activation energy from 0.7 to 0.5 eV, whereas the optical properties exhibit no particular transition except for the steady increase of the bandgap with temperature. Thesemore » observations can be explained by the 'continuous' nature of perovskite phase transition. We speculate that the critical temperature at which the ionic/electrical properties change, although related to crystal symmetry variation, is not necessarily the same temperature as when tetragonal-cubic structural phase transition occurs.« less

Anisotropic properties of periodically polarity-inverted zinc oxide structures

NASA Astrophysics Data System (ADS)

Park, J. S.; Minegishi, T.; Lee, J. W.; Hong, S. K.; Song, J. H.; Lee, J. Y.; Yoon, E.; Yao, T.

2010-06-01

We report on the anisotropic structural properties of periodically polarity-inverted (PPI) ZnO structures grown on patterned templates. The etching and growth rates along ⟨112¯0⟩ direction of ZnO structures are higher than those of ⟨101¯0⟩ direction of ZnO films. From the strain evaluation by Raman spectroscopy, compressive strains are observed in all PPI ZnO samples with different stripe pattern size and the smaller pattern size is more effective to residual stress relaxation. The detailed structures at transition region show relationship with the anisotropic crystal quality.

Mechanical, morphological and structural properties of cellulose nanofibers reinforced epoxy composites.

PubMed

Saba, N; Mohammad, F; Pervaiz, M; Jawaid, M; Alothman, O Y; Sain, M

2017-04-01

Present study, deals about isolation and characterization of cellulose nanofibers (CNFs) from the Northern Bleached Softwood Kraft (NBSK) pulp, fabrication by hand lay-up technique and characterization of fabricated epoxy nanocomposites at different filler loadings (0.5%, 0.75%, 1% by wt.). The effect of CNFs loading on mechanical (tensile, impact and flexural), morphological (scanning electron microscope and transmission electron microscope) and structural (XRD and FTIR) properties of epoxy composites were investigated. FTIR analysis confirms the introduction of CNFs into the epoxy matrix while no considerable change in the crystallinity and diffraction peaks of epoxy composites were observed by the XRD patterns. Additions of CNFs considerably enhance the mechanical properties of epoxy composites but a remarkable improvement is observed for 0.75% CNFs as compared to the rest epoxy nanocomposites. In addition, the electron micrographs revealed the perfect distribution and dispersion of CNFs in the epoxy matrix for the 0.75% CNFs/epoxy nanocomposites, while the existence of voids and agglomerations were observed beyond 0.75% CNFs filler loadings. Overall results analysis clearly revealed that the 0.75% CNFs filler loading is best and effective with respect to rest to enhance the mechanical and structural properties of the epoxy composites. Copyright © 2017 Elsevier B.V. All rights reserved.

Rich in life but poor in data: the known knowns and known unknowns of modelling how soil biology drives soil structure

NASA Astrophysics Data System (ADS)

Hallett, Paul; Ogden, Mike

2015-04-01

Soil biology has a fascinating capacity to manipulate pore structure by altering or overcoming hydrological and mechanical properties of soil. Many have postulated, quite rightly, that this capacity of soil biology to 'engineer' its habitat drives its diversity, improves competitiveness and increases resilience to external stresses. A large body of observational research has quantified pore structure evolution accompanied by the growth of organisms in soil. Specific compounds that are exuded by organisms or the biological structures they create have been isolated and found to correlate well with observed changes to pore structure or soil stability. This presentation will provide an overview of basic mechanical and hydrological properties of soil that are affected by biology, and consider missing data that are essential to model how they impact soil structure evolution. Major knowledge gaps that prevent progress will be identified and suggestions will be made of how research in this area should progress. We call for more research to gain a process based understanding of structure formation by biology, to complement observational studies of soil structure before and after imposed biological activity. Significant advancement has already been made in modelling soil stabilisation by plant roots, by combining data on root biomechanics, root-soil interactions and soil mechanical properties. Approaches for this work were developed from earlier materials science and geotechnical engineering research, and the same ethos should be adopted to model the impacts of other biological compounds. Fungal hyphae likely reinforce soils in a similar way to plant roots, with successful biomechanical measurements of these micron diameter structures achieved with micromechanical test frames. Extending root reinforcement models to fungi would not be a straightforward exercise, however, as interparticle bonding and changes to pore water caused by fungal exudates could have a major impact on structure formation and stability. Biological exudates from fungi, bacteria or roots have been found to decrease surface tension and increase viscosity of pore water, with observed impacts to soil strength and water retention. Modelling approaches developed in granular mechanics and geotechnical engineering could be built upon to incorporate biological transformations of hydrological and mechanical properties of soil. With new testing approaches, adapted from materials science, pore scale hydromechanical impacts from biological exudates can be quantified. The research can be complemented with model organisms with differences in biological structures (e.g. root hair mutants), exudation or other properties. Coupled with technological advances that provide 4D imaging of soil structure at relatively rapid capture rates, the potential opportunities to disentangle and model how biology drives soil structure evolution and stability are vast. By quantifying basic soil hydrological and mechanical processes that are driven by soil biology, unknown unknowns may also emerge, providing new insight into how soils function.

Global Dynamics of Proteins: Bridging Between Structure and Function

PubMed Central

Bahar, Ivet; Lezon, Timothy R.; Yang, Lee-Wei; Eyal, Eran

2010-01-01

Biomolecular systems possess unique, structure-encoded dynamic properties that underlie their biological functions. Recent studies indicate that these dynamic properties are determined to a large extent by the topology of native contacts. In recent years, elastic network models used in conjunction with normal mode analyses have proven to be useful for elucidating the collective dynamics intrinsically accessible under native state conditions, including in particular the global modes of motions that are robustly defined by the overall architecture. With increasing availability of structural data for well-studied proteins in different forms (liganded, complexed, or free), there is increasing evidence in support of the correspondence between functional changes in structures observed in experiments and the global motions predicted by these coarse-grained analyses. These observed correlations suggest that computational methods may be advantageously employed for assessing functional changes in structure and allosteric mechanisms intrinsically favored by the native fold. PMID:20192781

Global dynamics of proteins: bridging between structure and function.

PubMed

Bahar, Ivet; Lezon, Timothy R; Yang, Lee-Wei; Eyal, Eran

2010-01-01

Biomolecular systems possess unique, structure-encoded dynamic properties that underlie their biological functions. Recent studies indicate that these dynamic properties are determined to a large extent by the topology of native contacts. In recent years, elastic network models used in conjunction with normal mode analyses have proven to be useful for elucidating the collective dynamics intrinsically accessible under native state conditions, including in particular the global modes of motions that are robustly defined by the overall architecture. With increasing availability of structural data for well-studied proteins in different forms (liganded, complexed, or free), there is increasing evidence in support of the correspondence between functional changes in structures observed in experiments and the global motions predicted by these coarse-grained analyses. These observed correlations suggest that computational methods may be advantageously employed for assessing functional changes in structure and allosteric mechanisms intrinsically favored by the native fold.

Structural, electronic, mechanical and magnetic properties of rare earth nitrides REN (RE= Pm, Eu and Yb)

NASA Astrophysics Data System (ADS)

Murugan, A.; Rajeswarapalanichamy, R.; Santhosh, M.; Iyakutti, K.

2015-07-01

The structural, electronic and mechanical properties of rare earth nitrides REN (RE=Pm, Eu and Yb) are investigated in NaCl and CsCl, and zinc blende structures using first principles calculations based on density functional theory. The calculated lattice parameters are in good agreement with the available results. Among the considered structures, these nitrides are most stable in NaCl structure. A pressure induced structural phase transition from NaCl to CsCl phase is observed in all these nitrides. The electronic structure reveals that these rare earth nitrides are half metallic at normal pressure. These nitrides are found to be covalent and ionic in the stable phase. The computed elastic constants indicate that these nitrides are mechanically stable and elastically anisotropic. Our results confirm that these nitrides are ferromagnetic in nature. A ferromagnetic to non-magnetic phase transition is observed at the pressures of 21.5 GPa and 46.1 GPa in PmN and YbN respectively.

QUANTIFYING OBSERVATIONAL PROJECTION EFFECTS USING MOLECULAR CLOUD SIMULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beaumont, Christopher N.; Offner, Stella S.R.; Shetty, Rahul

2013-11-10

The physical properties of molecular clouds are often measured using spectral-line observations, which provide the only probes of the clouds' velocity structure. It is hard, though, to assess whether and to what extent intensity features in position-position-velocity (PPV) space correspond to 'real' density structures in position-position-position (PPP) space. In this paper, we create synthetic molecular cloud spectral-line maps of simulated molecular clouds, and present a new technique for measuring the reality of individual PPV structures. Using a dendrogram algorithm, we identify hierarchical structures in both PPP and PPV space. Our procedure projects density structures identified in PPP space into correspondingmore » intensity structures in PPV space and then measures the geometric overlap of the projected structures with structures identified from the synthetic observation. The fractional overlap between a PPP and PPV structure quantifies how well the synthetic observation recovers information about the three-dimensional structure. Applying this machinery to a set of synthetic observations of CO isotopes, we measure how well spectral-line measurements recover mass, size, velocity dispersion, and virial parameter for a simulated star-forming region. By disabling various steps of our analysis, we investigate how much opacity, chemistry, and gravity affect measurements of physical properties extracted from PPV cubes. For the simulations used here, which offer a decent, but not perfect, match to the properties of a star-forming region like Perseus, our results suggest that superposition induces a ∼40% uncertainty in masses, sizes, and velocity dispersions derived from {sup 13}CO (J = 1-0). As would be expected, superposition and confusion is worst in regions where the filling factor of emitting material is large. The virial parameter is most affected by superposition, such that estimates of the virial parameter derived from PPV and PPP information typically disagree by a factor of ∼2. This uncertainty makes it particularly difficult to judge whether gravitational or kinetic energy dominate a given region, since the majority of virial parameter measurements fall within a factor of two of the equipartition level α ∼ 2.« less

Bioinspired peptide nanotubes: deposition technology, basic physics and nanotechnology applications.

PubMed

Rosenman, G; Beker, P; Koren, I; Yevnin, M; Bank-Srour, B; Mishina, E; Semin, S

2011-02-01

Synthetic peptide monomers can self-assemble into PNM such as nanotubes, nanospheres, hydrogels, etc. which represent a novel class of nanomaterials. Molecular recognition processes lead to the formation of supramolecular PNM ensembles containing crystalline building blocks. Such low-dimensional highly ordered regions create a new physical situation and provide unique physical properties based on electron-hole QC phenomena. In the case of asymmetrical crystalline structure, basic physical phenomena such as linear electro-optic, piezoelectric, and nonlinear optical effects, described by tensors of the odd rank, should be explored. Some of the PNM crystalline structures permit the existence of spontaneous electrical polarization and observation of ferroelectricity. The PNM crystalline arrangement creates highly porous nanotubes when various residues are packed into structural network with specific wettability and electrochemical properties. We report in this review on a wide research of PNM intrinsic physical properties, their electronic and optical properties related to QC effect, unique SHG, piezoelectricity and ferroelectric spontaneous polarization observed in PNT due to their asymmetric structure. We also describe PNM wettability phenomenon based on their nanoporous structure and its influence on electrochemical properties in PNM. The new bottom-up large scale technology of PNT physical vapor deposition and patterning combined with found physical effects at nanoscale, developed by us, opens the avenue for emerging nanotechnology applications of PNM in novel fields of nanophotonics, nanopiezotronics and energy storage devices. Copyright © 2010 European Peptide Society and John Wiley & Sons, Ltd.

Elastic, mechanical, and thermodynamic properties of Bi-Sb binaries: Effect of spin-orbit coupling

NASA Astrophysics Data System (ADS)

Singh, Sobhit; Valencia-Jaime, Irais; Pavlic, Olivia; Romero, Aldo H.

2018-02-01

Using first-principles calculations, we systematically study the elastic stiffness constants, mechanical properties, elastic wave velocities, Debye temperature, melting temperature, and specific heat of several thermodynamically stable crystal structures of BixSb1 -x (0

The Effects of Obesity on Murine Cortical Bone

NASA Astrophysics Data System (ADS)

Martin, Sophi

This dissertation details the effects of obesity on the mechanical properties and structure of cortical bone. Obesity is associated with greater bone mineral content that might be expected to protect against fracture, which has been observed in adults. Paradoxically however, the incidence of bone fractures has been found to increase in overweight and obese children and adolescents. Femora from adolescent and adult mice fed a high-fat diet are investigated for changes in shape, tissue structure, as well as tissue-level and whole-bone mechanical properties. Results indicate increased bone size, reduced size-independent mechanical properties, but maintained size-dependent mechanical properties. Other changes in cortical bone response to obesity are observed with advancing age. This study indicates that bone quantity and bone quality play important compensatory roles in determining fracture risk, and that fracture risk may not be lessened for adults as previously thought.

AB INITIO Molecular Dynamics Simulations on Local Structure and Electronic Properties in Liquid MgxBi1-x Alloys

NASA Astrophysics Data System (ADS)

Hao, Qing-Hai; You, Yu-Wei; Kong, Xiang-Shan; Liu, C. S.

2013-03-01

The microscopic structure and dynamics of liquid MgxBi1-x(x = 0.5, 0.6, 0.7) alloys together with pure liquid Mg and Bi metals were investigated by means of ab initio molecular dynamics simulations. We present results of structure properties including pair correlation function, structural factor, bond-angle distribution function and bond order parameter, and their composition dependence. The dynamical and electronic properties have also been studied. The structure factor and pair correlation function are in agreement with the available experimental data. The calculated bond-angle distribution function and bond order parameter suggest that the stoichiometric composition Mg3Bi2 exhibits a different local structure order compared with other concentrations, which help us understand the appearance of the minimum electronic conductivity at this composition observed in previous experiments.

The effect of Cr substitution on the structural, electronic and magnetic properties of pulsed laser deposited NiFe2O4 thin films

NASA Astrophysics Data System (ADS)

Panwar, Kalpana; Tiwari, Shailja; Bapna, Komal; Heda, N. L.; Choudhary, R. J.; Phase, D. M.; Ahuja, B. L.

2017-01-01

We have studied the structural, electronic and magnetic properties of pulsed laser deposited thin films of Ni1-xCrxFe2O4 (x=0.02 and 0.05) on Si (111) and Si (100) substrates. The films reveal single phase, polycrystalline structure with larger grain size on Si (111) substrate than that on Si (100) substrate. Contrary to the expected inverse spinel structure, x-ray photoemission (XPS) studies reveal the mixed spinel structure. XPS results suggest that Ni and Fe ions exist in 2+ and 3+ states, respectively, and they exist in tetrahedral as well as octahedral sites. The deviation from the inverse spinel leads to modified magnetic properties. It is observed that saturation magnetization drastically drops compared to the expected saturation value for inverse spinel structure. Strain in the films and lattice distortion produced by the Cr doping also appear to influence the magnetic properties.

Polarimetric Remote Sensing of Geophysical Medium Structures

NASA Technical Reports Server (NTRS)

Nghiem, S. V.; Yueh, S. H.; Kwok, R.; Nguyen, D. T.

1993-01-01

Polarimetric remote sensing of structures in geophysical media is studied in this paper based on their symmetry properties. Orientations of spheroidal scatterers described by spherical, uniform, planophile, plagiothile, erectophile, and extremophile distributions are considered to derive their polarimetric backscattering characteristics. These distributions can be identified from the observed scattering coefficients by comparison with theoretical symmetry calculations. A new parameter is defined to study scattering structures in geophysical media. Experimental observations from polarimetric data acquired by the Jet Propulsion Laboratory airborne synthetic aperture radar over forests, sea ice, and sea surface are presented to illustrate the use of symmetry properties. For forests, the coniferous forest in Mount Shasta area and mixed forests neir Presque Isle show evidence of the centrical symmetry at C band. In sea ice from the Beaufort Sea, multiyear sea ice has a cross-polarized ratio e close to e(sub 0), calculated from symmetry, due to the randomness in the scattering structure. For first-year sea ice, e is much smaller than e(sub 0) as a result of preferential alignment of the columnar structure of the ice. From polarimetric data of a sea surface in the Bering sea, it is observed that e and e(sub 0) are increasing with incident angle and e is greater than e(sub 0) at L band because of the directional feature of sea surface waves. Use of symmetry properties of geophysical media for polarimetric radar calibration is also suggested.

Molecular clouds and the large-scale structure of the galaxy

NASA Technical Reports Server (NTRS)

Thaddeus, Patrick; Stacy, J. Gregory

1990-01-01

The application of molecular radio astronomy to the study of the large-scale structure of the Galaxy is reviewed and the distribution and characteristic properties of the Galactic population of Giant Molecular Clouds (GMCs), derived primarily from analysis of the Columbia CO survey, and their relation to tracers of Population 1 and major spiral features are described. The properties of the local molecular interstellar gas are summarized. The CO observing programs currently underway with the Center for Astrophysics 1.2 m radio telescope are described, with an emphasis on projects relevant to future comparison with high-energy gamma-ray observations. Several areas are discussed in which high-energy gamma-ray observations by the EGRET (Energetic Gamma-Ray Experiment Telescope) experiment aboard the Gamma Ray Observatory will directly complement radio studies of the Milky Way, with the prospect of significant progress on fundamental issues related to the structure and content of the Galaxy.

Thermodynamical study of boron doped CeX{sub 3} (X=Pd, Rh)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

2016-05-06

The structural, electronic, thermal, and optical properties of cubic non magnetic CeX{sub 3}(X=Pd, Rh) compounds which crystallize in the Au{sub 3}Cu structure have been studied using the projected augmented wave (PAW) method within the density functional theory (DFT) with generalized gradient approximation (GGA) for exchange correlation potential. In this paper we have calculated the band structure which are interpreted using the density of states. The optical properties such as extinction coefficients clearly illustrate the changes in CeX{sub 3} due to intercalation of boron. Lattice instability is observed in CePd{sub 3}B from the calculated dynamical properties.

Structure and magnetic properties of Sm1-xZrx Fe10Si2 (x=0.2-0.6) alloys

NASA Astrophysics Data System (ADS)

Gjoka, M.; Sarafidis, C.; Psycharis, V.; Devlin, E.; Niarchos, D.; Hadjipanayis, G.

2017-10-01

Structure and magnetic properties of Sm1-xZrxFe10Si2 (0.1 ≤ x ≤ 0.6) alloys have been characterized using X-ray diffraction, thermomagnetic analysis and Mössbauer spectroscopy. The formation of the tetragonal ThMn12 -type structure was been observed in all alloys, without further annealing. The Curie temperature decreases linearly with Zr substitution from 322 °C for x=0.1 to 395 °C for x=0.6. Mössbauer spectroscopy showed the iron hyperfine field values decrease with increasing Zr content, and also confirmed changes to the magnetic anisotropy with increasing Zr content observed by XRD on oriented samples.

Investigation of the structural, optical and piezoelectric properties of ALD ZnO films on PEN substrates

NASA Astrophysics Data System (ADS)

Blagoev, B. S.; Aleksandrova, M.; Terziyska, P.; Tzvetkov, P.; Kovacheva, D.; Kolev, G.; Mehandzhiev, V.; Denishev, K.; Dimitrov, D.

2018-03-01

We present the results of studies on the structural, optical and piezoelectric properties of ZnO thin films deposited by ALD on flexible polyethylene naphthalate (PEN) substrates. Changes were observed in the optical transmission and crystal structures as the deposition temperature was varied. The electromechanical behavior, dielectric losses and voltage generated from ZnO flexible devices were investigated and discussed, in order to estimate their suitability for potential application as microgenerators activated by human motion.

High energy ball milling study of Fe{sub 2}MnSn Heusler alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jain, Vivek Kumar, E-mail: vivek.jain129@gmail.com; Lakshmi, N.; Jain, Vishal

The structural and magnetic properties of as-melted and high energy ball milled alloy samples have been studied by X-ray diffraction, DC magnetization and electronic structure calculations by means of density functional theory. The observed properties are compared to that of the bulk sample. There is a very good enhancement of saturation magnetization and coercivity in the nano-sized samples as compared to bulk which is explained in terms of structural disordering and size effect.

KELVIN-HELMHOLTZ INSTABILITIES AT THE SLOSHING COLD FRONTS IN THE VIRGO CLUSTER AS A MEASURE FOR THE EFFECTIVE INTRACLUSTER MEDIUM VISCOSITY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roediger, E.; Kraft, R. P.; Forman, W. R.

2013-02-10

Sloshing cold fronts (CFs) arise from minor merger triggered gas sloshing. Their detailed structure depends on the properties of the intracluster medium (ICM): hydrodynamical simulations predict the CFs to be distorted by Kelvin-Helmholtz instabilities (KHIs), but aligned magnetic fields, viscosity, or thermal conduction can suppress the KHIs. Thus, observing the detailed structure of sloshing CFs can be used to constrain these ICM properties. Both smooth and distorted sloshing CFs have been observed, indicating that the KHI is suppressed in some clusters, but not in all. Consequently, we need to address at least some sloshing clusters individually before drawing general conclusionsmore » about the ICM properties. We present the first detailed attempt to constrain the ICM properties in a specific cluster from the structure of its sloshing CF. Proximity and brightness make the Virgo Cluster an ideal target. We combine observations and Virgo-specific hydrodynamical sloshing simulations. Here, we focus on a Spitzer-like temperature-dependent viscosity as a mechanism to suppress the KHI, but discuss the alternative mechanisms in detail. We identify the CF at 90 kpc north and northeast of the Virgo center as the best location in the cluster to observe a possible KHI suppression. For viscosities {approx}> 10% of the Spitzer value KHIs at this CF are suppressed. We describe in detail the observable signatures at low and high viscosities, i.e., in the presence or the absence of KHIs. We find indications for a low ICM viscosity in archival XMM-Newton data and demonstrate the detectability of the predicted features in deep Chandra observations.« less

Identification and properties of the non-cubic phases of Mg 2Pb

DOE PAGES

Li, Yuwei; Bian, Guang; Singh, David J.

2016-12-20

Mg 2Pb occurs in the cubic fluorite structure and is a semimetal with a band structure strongly affected by spin-orbit interaction on the Pb p states. Its properties are therefore of interest in the context of topological materials. In addition a different phase of Mg 2Pb was experimentally reported, but its crystal structure and properties remain unknown. Here we determine the structure of this phase using ab initio evolutionary methods and report its properties. The energy of one tetragonal phase, space group P4/ nmm, is 2 meV per atom higher than that of the ground state structure supporting the experimentalmore » observation. We find this tetragonal phase to be a compenstated anisotropic metal with strong spin orbit effects. As a result, many other metastable structures have also been identified, especially one orthorhombic structure, space group Pnma, of which energy is 17 meV per atom higher than that of ground state structure and which perhaps could be the phase that was reported based on similarity of lattice parameters.« less

The magnetopause at 5.2 R/E/ on August 4, 1972 - Magnetopause shape and structure

NASA Technical Reports Server (NTRS)

Kaufmann, R. L.; Cahill, L. J., Jr.

1977-01-01

The relatively large magnitude magnetopause field observed in several crossings associated with the ATS 5 and Explorer 45 satellites on August 4, 1972, is used to examine the structure of the magnetopause. The discussion covers magnetopause normals and their intepretation with respect to the shape of the magnetopause and to waves propagating in the magnetopause; magnetopause structure in terms of the field changes observed during magnetopause passages and of the associated magnetopause electric currents interred from the observations; and comparison of the observations with theoretical properties of open and close magnetopause models. Features necessary for comparison of magnetometer observations with pertinent theories are highlighted.

Rheological and structural properties of sea cucumber Stichopus japonicus during heat treatment

NASA Astrophysics Data System (ADS)

Gao, Xin; Xue, Dongmei; Zhang, Zhaohui; Xu, Jiachao; Xue, Changhu

2005-07-01

Changes in tissue structure, rheological properties and water content of raw and heated sea cucumber meat were studied. Sea cucumber Stichopus japonicus was heated at 25°C , 70°C and 100°C water for 5 min. The structural changes were observed using a light microscope and the rheological parameters (rupture strength, adhesive strength and deformation) determined using a texture meter. Microscopic photograph revealed that the structural change of heated meat was greater than that of raw meat. The rupture strength, adhesive strength and deformation of raw meat were smaller than those of the heated meat. Meanwhile, rheological parameters showed positive correlation with heating temperature. These changes are mainly caused by thermal denaturation and gelatinization of collagen during heating. These changes were also evidenced in observations using a light microscope and differential scanning calorimetry.

Effect of Zn doping on structural and dielectric properties of tetragonal Ni{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 0.5)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lone, S. A.; Dar, M. A.; Kumar, A.

2015-06-24

A series of Ni-Zn ferrite with compositional formula Ni{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 0.5) were prepared by solid-state reaction route. The influence of the Zn content on the structural and dielectric properties of NiFe{sub 2}O{sub 4} was investigated using X-ray powder diffraction (XRD), Raman spectroscopy and dielectric measurements. XRD analysis reveals that the samples are polycrystalline single-phase cubic spinel in structure excluding the presence of any secondary phase corresponding to any structure. Slight variation in the lattice parameter of Zn doped NiFe{sub 2}O{sub 4} has been observed due to difference in ionic radii of cations. Ramanmore » analysis reveals the doublet like nature of A{sub 1g} mode for all synthesized samples. Small shift in Raman modes and increment in the line width has been observed with the doping ions. Furthermore, room temperature dielectric properties of all the prepared samples have been reported. It is observed that for each sample the dielectric constant decreases with an increase of frequency and becomes constant at higher frequencies.« less

Achilles tendons from decorin- and biglycan-null mouse models have inferior mechanical and structural properties predicted by an image-based empirical damage model

PubMed Central

Gordon, J.A.; Freedman, B.R.; Zuskov, A.; Iozzo, R.V.; Birk, D.E.; Soslowsky, L.J.

2015-01-01

Achilles tendons are a common source of pain and injury, and their pathology may originate from aberrant structure function relationships. Small leucine rich proteoglycans (SLRPs) influence mechanical and structural properties in a tendon-specific manner. However, their roles in the Achilles tendon have not been defined. The objective of this study was to evaluate the mechanical and structural differences observed in mouse Achilles tendons lacking class I SLRPs; either decorin or biglycan. In addition, empirical modeling techniques based on mechanical and image-based measures were employed. Achilles tendons from decorin-null (Dcn−/−) and biglycan-null (Bgn−/−) C57BL/6 female mice (N=102) were used. Each tendon underwent a dynamic mechanical testing protocol including simultaneous polarized light image capture to evaluate both structural and mechanical properties of each Achilles tendon. An empirical damage model was adapted for application to genetic variation and for use with image based structural properties to predict tendon dynamic mechanical properties. We found that Achilles tendons lacking decorin and biglycan had inferior mechanical and structural properties that were age dependent; and that simple empirical models, based on previously described damage models, were predictive of Achilles tendon dynamic modulus in both decorin- and biglycan-null mice. PMID:25888014

Achilles tendons from decorin- and biglycan-null mouse models have inferior mechanical and structural properties predicted by an image-based empirical damage model.

PubMed

Gordon, J A; Freedman, B R; Zuskov, A; Iozzo, R V; Birk, D E; Soslowsky, L J

2015-07-16

Achilles tendons are a common source of pain and injury, and their pathology may originate from aberrant structure function relationships. Small leucine rich proteoglycans (SLRPs) influence mechanical and structural properties in a tendon-specific manner. However, their roles in the Achilles tendon have not been defined. The objective of this study was to evaluate the mechanical and structural differences observed in mouse Achilles tendons lacking class I SLRPs; either decorin or biglycan. In addition, empirical modeling techniques based on mechanical and image-based measures were employed. Achilles tendons from decorin-null (Dcn(-/-)) and biglycan-null (Bgn(-/-)) C57BL/6 female mice (N=102) were used. Each tendon underwent a dynamic mechanical testing protocol including simultaneous polarized light image capture to evaluate both structural and mechanical properties of each Achilles tendon. An empirical damage model was adapted for application to genetic variation and for use with image based structural properties to predict tendon dynamic mechanical properties. We found that Achilles tendons lacking decorin and biglycan had inferior mechanical and structural properties that were age dependent; and that simple empirical models, based on previously described damage models, were predictive of Achilles tendon dynamic modulus in both decorin- and biglycan-null mice. Copyright © 2015 Elsevier Ltd. All rights reserved.

Synthesis and photophysical properties of a series of cyclopenta[b]naphthalene solvatochromic fluorophores.

PubMed

Benedetti, Erica; Kocsis, Laura S; Brummond, Kay M

2012-08-01

The synthesis and photophysical properties of a series of naphthalene-containing solvatochromic fluorophores are described within. These novel fluorophores are prepared using a microwave-assisted dehydrogenative Diels-Alder reaction of styrene, followed by a palladium-catalyzed cross coupling reaction to install an electron donating amine group. The new fluorophores are structurally related to Prodan. Photophysical properties of the new fluorophores were studied and intriguing solvatochromic behavior was observed. For most of these fluorophores, high quantum yields (60-99%) were observed in methylene chloride in addition to large Stokes shifts (95-226 nm) in this same solvent. As the solvent polarity increased, so did the observed Stokes shift with one derivative displaying a Stokes shift of ~300 nm in ethanol. All fluorophore emission maxima, and nearly all absorption maxima were significantly red-shifted when compared to Prodan. Shifting the absorption and emission maxima of a fluorophore into the visible region increases its utility in biological applications. Moreover, the cyclopentane portion of the fluorophore structure provides an attachment point for biomolecules that will minimize disruptions of the photophysical properties.

In-Depth Analysis of the Structure and Properties of Two Varieties of Natural Luffa Sponge Fibers

PubMed Central

Chen, Yuxia; Su, Na; Zhang, Kaiting; Zhu, Shiliu; Zhao, Lei; Fang, Fei; Ren, Linyan; Guo, Yong

2017-01-01

The advancement in science and technology has led to luffa sponge (LS) being widely used as a natural material in industrial application because of its polyporous structure and light texture. To enhance the utility of LS fibers as the reinforcement of lightweight composite materials, the current study investigates their water absorption, mechanical properties, anatomical characteristics and thermal performance. Hence, moisture regain and tensile properties of LS fiber bundles were measured in accordance with American Society for Testing and Materials (ASTM) standards while their structural characteristics were investigated via microscopic observation. Scanning electron microscopy (SEM) was used to observe the surface morphology and fractured surface of fiber bundles. The test results show that the special structure where the phloem tissues degenerate to cavities had a significant influence on the mechanical properties of LS fiber bundles. Additionally, the transverse sectional area occupied by fibers in a fiber bundle (SF), wall thickness, ratio of wall to lumen of fiber cell, and crystallinity of cellulose had substantial impact on the mechanical properties of LS fiber bundles. Furthermore, the density of fiber bundles of LS ranged within 385.46–468.70 kg/m3, significantly less than that of jute (1360.40 kg/m3) and Arenga engleri (950.20 kg/m3). However, LS fiber bundles demonstrated superior specific modulus than Arenga engleri. PMID:28772838

The Large-scale Structure of the Universe: Probes of Cosmology and Structure Formation

NASA Astrophysics Data System (ADS)

Noh, Yookyung

The usefulness of large-scale structure as a probe of cosmology and structure formation is increasing as large deep surveys in multi-wavelength bands are becoming possible. The observational analysis of large-scale structure guided by large volume numerical simulations are beginning to offer us complementary information and crosschecks of cosmological parameters estimated from the anisotropies in Cosmic Microwave Background (CMB) radiation. Understanding structure formation and evolution and even galaxy formation history is also being aided by observations of different redshift snapshots of the Universe, using various tracers of large-scale structure. This dissertation work covers aspects of large-scale structure from the baryon acoustic oscillation scale, to that of large scale filaments and galaxy clusters. First, I discuss a large- scale structure use for high precision cosmology. I investigate the reconstruction of Baryon Acoustic Oscillation (BAO) peak within the context of Lagrangian perturbation theory, testing its validity in a large suite of cosmological volume N-body simulations. Then I consider galaxy clusters and the large scale filaments surrounding them in a high resolution N-body simulation. I investigate the geometrical properties of galaxy cluster neighborhoods, focusing on the filaments connected to clusters. Using mock observations of galaxy clusters, I explore the correlations of scatter in galaxy cluster mass estimates from multi-wavelength observations and different measurement techniques. I also examine the sources of the correlated scatter by considering the intrinsic and environmental properties of clusters.

Structure-Property Characterization of the Crinkle-Leaf Peach Wood Phenotype: A Future Model System for Wood Properties Research?

NASA Astrophysics Data System (ADS)

Wiedenhoeft, Alex C.; Arévalo, Rafael; Ledbetter, Craig; Jakes, Joseph E.

2016-09-01

Nearly 400 million years of evolution and field-testing by the natural world has given humans thousands of wood types, each with unique structure-property relationships to study, exploit, and ideally, to manipulate, but the slow growth of trees makes them a recalcitrant experimental system. Variations in wood features of two genotypes of peach ( Prunus persica L.) trees, wild-type and crinkle-leaf, were examined to elucidate the nature of weak wood in crinkle-leaf trees. Crinkle-leaf is a naturally-occurring mutation in which wood strength is altered in conjunction with an easily observed `crinkling' of the leaves' surface. Trees from three vigor classes (low growth rate, average growth rate, and high growth rate) of each genotype were sampled. No meaningful tendency of dissimilarities among the different vigor classes was found, nor any pattern in features in a genotype-by-vigor analysis. Wild-type trees exhibited longer vessels and fibers, wider rays, and slightly higher specific gravity. Neither cell wall mechanical properties measured with nanoindentation nor cell wall histochemical properties were statistically or observably different between crinkle-leaf and wild-type wood. The crinkle-leaf mutant has the potential to be a useful model system for wood properties investigation and manipulation if it can serve as a field-observable vegetative marker for altered wood properties.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salerno, Kenneth Michael; Bolintineanu, Dan S.; Lane, J. Matthew D.

We believe that the high mechanical stiffness of single-nanoparticle-thick membranes is the result of the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with amore » nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH 3) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Additionally, the particular end group (COOH or CH 3) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.« less

Water polygons in high-resolution protein crystal structures.

PubMed

Lee, Jonas; Kim, Sung-Hou

2009-07-01

We have analyzed the interstitial water (ISW) structures in 1500 protein crystal structures deposited in the Protein Data Bank that have greater than 1.5 A resolution with less than 90% sequence similarity with each other. We observed varieties of polygonal water structures composed of three to eight water molecules. These polygons may represent the time- and space-averaged structures of "stable" water oligomers present in liquid water, and their presence as well as relative population may be relevant in understanding physical properties of liquid water at a given temperature. On an average, 13% of ISWs are localized enough to be visible by X-ray diffraction. Of those, averages of 78% are water molecules in the first water layer on the protein surface. Of the localized ISWs beyond the first layer, almost half of them form water polygons such as trigons, tetragons, as well as expected pentagons, hexagons, higher polygons, partial dodecahedrons, and disordered networks. Most of the octagons and nanogons are formed by fusion of smaller polygons. The trigons are most commonly observed. We suggest that our observation provides an experimental basis for including these water polygon structures in correlating and predicting various water properties in liquid state.

Water polygons in high-resolution protein crystal structures

PubMed Central

Lee, Jonas; Kim, Sung-Hou

2009-01-01

We have analyzed the interstitial water (ISW) structures in 1500 protein crystal structures deposited in the Protein Data Bank that have greater than 1.5 Å resolution with less than 90% sequence similarity with each other. We observed varieties of polygonal water structures composed of three to eight water molecules. These polygons may represent the time- and space-averaged structures of “stable” water oligomers present in liquid water, and their presence as well as relative population may be relevant in understanding physical properties of liquid water at a given temperature. On an average, 13% of ISWs are localized enough to be visible by X-ray diffraction. Of those, averages of 78% are water molecules in the first water layer on the protein surface. Of the localized ISWs beyond the first layer, almost half of them form water polygons such as trigons, tetragons, as well as expected pentagons, hexagons, higher polygons, partial dodecahedrons, and disordered networks. Most of the octagons and nanogons are formed by fusion of smaller polygons. The trigons are most commonly observed. We suggest that our observation provides an experimental basis for including these water polygon structures in correlating and predicting various water properties in liquid state. PMID:19551896

Evaluation of NCAR CAM5 Simulated Marine Boundary Layer Cloud Properties Using a Combination of Satellite and Surface Observations

NASA Astrophysics Data System (ADS)

Zhang, Z.; Song, H.; Wang, M.; Ghan, S. J.; Dong, X.

2016-12-01

he main objective of this study is to systematically evaluate the MBL cloud properties simulated in CAM5 family models using a combination of satellite-based CloudSat/MODIS observations and ground-based observations from the ARM Azores site, with a special focus on MBL cloud microphysics and warm rain process. First, we will present a global evaluation based on satellite observations and retrievals. We will compare global cloud properties (e.g., cloud fraction, cloud vertical structure, cloud CER, COT, and LWP, as well as drizzle frequency and intensity diagnosed using the CAM5-COSP instrumental simulators) simulated in the CAM5 models with the collocated CloudSat and MODIS observations. We will also present some preliminary results from a regional evaluation based mainly on ground observations from ARM Azores site. We will compare MBL cloud properties simulated in CAM5 models over the ARM Azores site with collocated satellite (MODIS and CloudSat) and ground-based observations from the ARM site.

Structural and low temperature transport properties of Fe2B and FeB systems at high pressure

NASA Astrophysics Data System (ADS)

Kumar, P. Anand; Satya, A. T.; Reddy, P. V. Sreenivasa; Sekar, M.; Kanchana, V.; Vaitheeswaran, G.; Mani, Awadhesh; Kalavathi, S.; Shekar, N. V. Chandra

2017-10-01

The evolution of crystal structure and the ground state properties of Fe2B and FeB have been studied by performing high pressure X-ray diffraction up to a pressure of ∼24 GPa and temperature dependent (4.2-300 K range) high-pressure resistivity measurements up to ∼ 2 GPa. While a pressure induced reversible structural phase transition from tetragonal to orthorhombic structure is observed at ∼6.3 GPa in Fe2B, FeB has been found to be stable in its orthorhombic phase up to the pressure of 24 GPa. In the case of Fe2B, both parent and daughter phases coexist beyond the transition pressure. The bulk modulus of FeB and Fe2B (tetragonal) have been found to be 248 GPa and 235 GPa respectively. First principle electronic structure calculations have been performed using the present experimental inputs and the calculated ground state properties agree quite well with the major findings of the experiments. Debye temperature extracted from the analysis of low temperature resistivity data is observed to decrease with pressure indicating softening of phonons in both the systems.

Iridescence from photonic crystals and its suppression in butterfly scales

PubMed Central

Poladian, Leon; Wickham, Shelley; Lee, Kwan; Large, Maryanne C.J.

2008-01-01

Regular three-dimensional periodic structures have been observed in the scales of over half a dozen butterfly species. We compare several of these structures: we calculate their photonic bandgap properties; measure the angular variation of the reflection spectra; and relate the observed iridescence (or its suppression) to the structures. We compare the mechanisms for iridescence suppression in different species and conclude with some speculations about form, function, development and evolution. PMID:18980932

Low-loss Ca{sub 5-x}Sr{sub x}A{sub 2}TiO{sub 12} [A=Nb,Ta] ceramics: Microwave dielectric properties and vibrational spectroscopic analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bijumon, Pazhoor Varghese; Sebastian, Mailadil Thomas; Dias, Anderson

2005-05-15

Complex perovskite-type Ca{sub 5-x}Sr{sub x}A{sub 2}TiO{sub 12} [A=Nb,Ta] (0{<=}x{<=}5) ceramics were prepared by conventional solid-state ceramic route. The crystal structure, microwave dielectric properties, and vibrational spectroscopic characteristics of these materials are reported. The structure and microstructure were investigated by x-ray diffraction and scanning electron microscopy techniques. The microwave dielectric properties were measured in the 3-5-GHz frequency range by the resonance method. Structural evolutions from orthorhombic to an averaged pseudocubic phase, with associated changes in dielectric properties, were observed as a function of composition. The structure-property relationships in these ceramics were established using Raman and Fourier transform infrared spectroscopic techniques. Ramanmore » analysis showed characteristic bands of ordered perovskite materials, with variation in both intensity and frequency as a function of composition.« less

Structural and physical properties of InAlAs quantum dots grown on GaAs

NASA Astrophysics Data System (ADS)

Vasile, B. S.; Daly, A. Ben; Craciun, D.; Alexandrou, I.; Lazar, S.; Lemaître, A.; Maaref, M. A.; Iacomi, F.; Craciun, V.

2018-04-01

Quantum dots (QDs), which have particular physical properties due to the three dimensions confinement effect, could be used in many advanced optoelectronic applications. We investigated the properties of InAlAs/AlGaAs QDs grown by molecular beam epitaxy on GaAs/Al0.5Ga0.5As layers. The optical properties of QDs were studied by low-temperature photoluminescence (PL). Two bandgap transitions corresponding to the X-Sh and X-Ph energy structure were observed. The QDs structure was investigated using high-resolution X-ray diffraction (HRXRD) and high-resolution transmission electron microscopy (HRTEM). HRXRD investigations showed that the layers grew epitaxially on the substrate, with no relaxation. HRTEM investigations confirmed the epitaxial nature of the grown structures. In addition, it was revealed that the In atoms aggregated in some prismatic regions, forming areas of high In concentration, that were still in perfect registry with the substrate.

Structural adaptation of the subunit interface of oligomeric thermophilic and hyperthermophilic enzymes.

PubMed

Maugini, Elisa; Tronelli, Daniele; Bossa, Francesco; Pascarella, Stefano

2009-04-01

Enzymes from thermophilic and, particularly, from hyperthermophilic organisms are surprisingly stable. Understanding of the molecular origin of protein thermostability and thermoactivity attracted the interest of many scientist both for the perspective comprehension of the principles of protein structure and for the possible biotechnological applications through application of protein engineering. Comparative studies at sequence and structure levels were aimed at detecting significant differences of structural parameters related to protein stability between thermophilic and hyperhermophilic structures and their mesophilic homologs. Comparative studies were useful in the identification of a few recurrent themes which the evolution utilized in different combinations in different protein families. These studies were mostly carried out at the monomer level. However, maintenance of a proper quaternary structure is an essential prerequisite for a functional macromolecule. At the environmental temperatures experienced typically by hyper- and thermophiles, the subunit interactions mediated by the interface must be sufficiently stable. Our analysis was therefore aimed at the identification of the molecular strategies adopted by evolution to enhance interface thermostability of oligomeric enzymes. The variation of several structural properties related to protein stability were tested at the subunit interfaces of thermophilic and hyperthermophilic oligomers. The differences of the interface structural features observed between the hyperthermophilic and thermophilic enzymes were compared with the differences of the same properties calculated from pairwise comparisons of oligomeric mesophilic proteins contained in a reference dataset. The significance of the observed differences of structural properties was measured by a t-test. Ion pairs and hydrogen bonds do not vary significantly while hydrophobic contact area increases specially in hyperthermophilic interfaces. Interface compactness also appears to increase in the hyperthermophilic proteins. Variations of amino acid composition at the interfaces reflects the variation of the interface properties.

VLT observations of the two Fermi pulsars PSR J1357$-$6429 and PSR J1048$-$5832

DOE PAGES

Mignani, R. P.; Shearer, A.; De Luca, A.; ...

2011-09-07

Optical observations of pulsars are crucial to studying the neutron star properties from the structure and composition of the interior to the properties and geometry of the magnetosphere. Historically, X and γ-ray observations have paved the way to pulsar optical identifications. Furthermore, the launch of the Fermi Gamma-ray Space Telescope opened new perspectives in the optical-to-γ-ray studies of neutron stars with the detection of more than 80 γ-ray pulsars.

The study of changes in structural properties of Cu films under ionizing radiation

NASA Astrophysics Data System (ADS)

Kaliekperov, M.; Kozlovskiy, A.; Shlimas, D.; Kenzhina, I.; Ivanov, I.; Kozin, S.; Aleksandrenko, V.; Kurakhmedov, A.; Sambaev, E.; Seitbaev, A.; Zdorovets, M.; Kadyrzhanov, K.

2018-05-01

In this paper, we present the results of studies of the irradiation effect with low-energy He+2 ions with an energy of 30 keV (15 keV per charge) on the structural properties of Cu films. Using SEM, EDS, and x-ray diffraction analysis, the surface morphology and structural properties of samples before and after irradiation were studied. As a result of irradiation of initial samples with He+2 ions with a dose of 1·1016 ion cm‑2, a change in the Cu surface morphology of films is observed, and the formation of nanoscale inclusions of hexagonal shape is observed. An increase in the irradiation dose to 1·1017 ion cm‑2 and higher leads to the formation of cracks and amorphous oxide inclusions on the sample surface. It is established that an increase in the irradiation dose leads to a decrease in the degree of crystallinity and a change in the basic crystallographic characteristics. The effect of irradiation on the strength characteristics was estimated.

Structure of Human Pancreatic Lipase-Related Protein 2 with the Lid in an Open Conformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eydoux, Cecilia; Spinelli, Silvia; Davis, Tara L.

2008-10-02

Access to the active site of pancreatic lipase (PL) is controlled by a surface loop, the lid, which normally undergoes conformational changes only upon addition of lipids or amphiphiles. Structures of PL with their lids in the open and functional conformation have required cocrystallization with amphiphiles. Here we report two crystal structures of wild-type and unglycosylated human pancreatic lipase-related protein 2 (HPLRP2) with the lid in an open conformation in the absence of amphiphiles. These structures solved independently are strikingly similar, with some residues of the lid being poorly defined in the electron-density map. The open conformation of the lidmore » is however different from that previously observed in classical liganded PL, suggesting different kinetic properties for HPLRP2. Here we show that the HPLRP2 is directly inhibited by E600, does not present interfacial activation, and acts preferentially on substrates forming monomers or small aggregates (micelles) dispersed in solution like monoglycerides, phospholipids and galactolipids, whereas classical PL displays reverse properties and a high specificity for unsoluble substrates like triglycerides and diglycerides forming oil-in-water interfaces. These biochemical properties imply that the lid of HPLRP2 is likely to spontaneously adopt in solution the open conformation observed in the crystal structure. This open conformation generates a large cavity capable of accommodating the digalactose polar head of galactolipids, similar to that previously observed in the active site of the guinea pig PLRP2, but absent from the classical PL. Most of the structural and kinetic properties of HPLRP2 were found to be different from those of rat PLRP2, the structure of which was previously obtained with the lid in a closed conformation. Our findings illustrate the essential role of the lid in determining the substrate specificity and the mechanism of action of lipases.« less

Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation.

PubMed

Eydoux, Cécilia; Spinelli, Silvia; Davis, Tara L; Walker, John R; Seitova, Alma; Dhe-Paganon, Sirano; De Caro, Alain; Cambillau, Christian; Carrière, Frédéric

2008-09-09

Access to the active site of pancreatic lipase (PL) is controlled by a surface loop, the lid, which normally undergoes conformational changes only upon addition of lipids or amphiphiles. Structures of PL with their lids in the open and functional conformation have required cocrystallization with amphiphiles. Here we report two crystal structures of wild-type and unglycosylated human pancreatic lipase-related protein 2 (HPLRP2) with the lid in an open conformation in the absence of amphiphiles. These structures solved independently are strikingly similar, with some residues of the lid being poorly defined in the electron-density map. The open conformation of the lid is however different from that previously observed in classical liganded PL, suggesting different kinetic properties for HPLRP2. Here we show that the HPLRP2 is directly inhibited by E600, does not present interfacial activation, and acts preferentially on substrates forming monomers or small aggregates (micelles) dispersed in solution like monoglycerides, phospholipids and galactolipids, whereas classical PL displays reverse properties and a high specificity for unsoluble substrates like triglycerides and diglycerides forming oil-in-water interfaces. These biochemical properties imply that the lid of HPLRP2 is likely to spontaneously adopt in solution the open conformation observed in the crystal structure. This open conformation generates a large cavity capable of accommodating the digalactose polar head of galactolipids, similar to that previously observed in the active site of the guinea pig PLRP2, but absent from the classical PL. Most of the structural and kinetic properties of HPLRP2 were found to be different from those of rat PLRP2, the structure of which was previously obtained with the lid in a closed conformation. Our findings illustrate the essential role of the lid in determining the substrate specificity and the mechanism of action of lipases.

Tensile properties of helical auxetic structures: A numerical study

NASA Astrophysics Data System (ADS)

Wright, J. R.; Sloan, M. R.; Evans, K. E.

2010-08-01

This paper discusses a helical auxetic structure which has a diverse range of practical applications. The mechanical properties of the system can be determined by particular combinations of geometry and component material properties; finite element analysis is used to investigate the static behavior of these structures under tension. Modeling criteria are determined and design issues are discussed. A description of the different strain-dependent mechanical phases is provided. It is shown that the stiffnesses of the component fibers and the initial helical wrap angle are critical design parameters, and that strain-dependent changes in cross-section must be taken into consideration: we observe that the structures exhibit nonlinear behavior due to nonzero component Poisson's ratios. Negative Poisson's ratios for the helical structures as low as -5 are shown. While we focus here on the structure as a yarn our findings are, in principle, scaleable.

Progression in structural, magnetic and electrical properties of La-doped group IV elements

NASA Astrophysics Data System (ADS)

Deepapriya, S.; Annie Vinosha, P.; Rodney, John D.; Jerome Das, S.

2018-04-01

Progression of group IV elements such as zinc ferrite (ZnFe2O4), cobalt ferrite (CoFe2O4) was synthesized by doping lanthanum (La), via adopting a facile co-precipitation method. Doping hefty rare earth ion in spinel structure can amend to the physical properties of the lattice, which can be used in the enhancement of magnetic and electrical properties of the as-synthesized nanomaterial, it is vital to metamorphose and optimize its micro structural and magnetic features. The structural properties of the samples was analysed by powder X-ray diffraction (XRD), Fourier transform infrared (FTIR), Transmission electron microscopy (TEM) and UV-visible spectral analysis (UV-vis) reveals the optical property and optical band gap. The magnetic properties were evaluated using a vibrating sample magnetometer (VSM), the presence of functional group was confirmed by FTIR. XRD analyses elucidates that the synthesized samples zinc and cobalt had a spinel structure. From TEM analyses the morphology and diameter of the particle was observed. The substituted rare earth ions in Zinc ferrite inhibit the grain growth of the materials in an efficient manner compared with that of the Cobalt ferrite.

Structure and Magnetic Properties of Rare Earth Doped Transparent Alumina

NASA Astrophysics Data System (ADS)

Limmer, Krista; Neupane, Mahesh; Chantawansri, Tanya

Recent experimental studies of rare earth (RE) doped alumina suggest that the RE induced novel phase-dependent structural and magnetic properties. Motivated by these efforts, the effects of RE doping of alpha and theta alumina on the local structure, magnetic properties, and phase stability have been examined in this first principles study. Although a direct correlation between the magnetic field dependent materials properties observed experimentally and calculated from first principles is not feasible because of the applied field and the scale, the internal magnetic properties and other properties of the doped materials are evaluated. The RE dopants are shown to increase the substitutional site volume as well as increasingly distort the site structure as a function of ionic radii. Doping both the alpha (stable) and theta (metastable) phases enhanced the relative stability of the theta phase. The energetic doping cost and internal magnetic moment were shown to be a function of the electronic configuration of the RE-dopant, with magnetic moment directly proportional to the number of unpaired electrons and doping cost being inversely related.

Effect of Surface Termination on the Electonic Properties of LaNiO₃ Films

DOE PAGES

Kumah, Divine P.; Malashevich, Andrei; Disa, Ankit S.; ...

2014-11-06

The electronic and structural properties of thin LaNiO₃ films grown by using molecular beam epitaxy are studied as a function of the net ionic charge of the surface terminating layer. We demonstrate that electronic transport in nickelate heterostructures can be manipulated through changes in the surface termination due to a strong coupling of the surface electrostatic properties to the structural properties of the Ni—O bonds that govern electronic conduction. We observe experimentally and from first-principles theory an asymmetric response of the structural properties of the films to the sign of the surface charge, which results from a strong interplay betweenmore » electrostatic and mechanical boundary conditions governing the system. The structural response results in ionic buckling in the near-surface NiO₂ planes for films terminated with negatively charged NiO₂ and bulklike NiO₂ planes for films terminated with positively charged LaO planes. The ability to modify transport properties by the deposition of a single atomic layer can be used as a guiding principle for nanoscale device fabrication.« less

Structural basis for the slow digestion property of native cereal starches.

PubMed

Zhang, Genyi; Venkatachalam, Mahesh; Hamaker, Bruce R

2006-11-01

Native cereal starches are ideal slowly digestible starches (SDS), and the structural basis for their slow digestion property was investigated. The shape, size, surface pores and channels, and degree of crystallinity of starch granules were not related to the proportion of SDS, while semicrystalline structure was critical to the slow digestion property as evidenced by loss of SDS after cooking. The high proportion of SDS in cereal starches, as compared to potato starch, was related to their A-type crystalline structure with a lower degree of perfection as indicated by a higher amount of shortest A chains with a degree of polymerization (DP) of 5-10. The A-type amorphous lamellae, an important component of crystalline regions of native cereal starches, also affect the amount of SDS as shown by a reduction of SDS in lintnerized maize starches. These observations demonstrate that the supramolecular A-type crystalline structure, including the distribution and perfection of crystalline regions (both crystalline and amorphous lamellae), determines the slow digestion property of native cereal starches.

Transport properties of electrons in fractal magnetic-barrier structures

NASA Astrophysics Data System (ADS)

Sun, Lifeng; Fang, Chao; Guo, Yong

2010-09-01

Quantum transport properties in fractal magnetically modulated structures are studied by the transfer-matrix method. It is found that the transmission spectra depend sensitively not only on the incident energy and the direction of the wave vector but also on the stage of the fractal structures. Resonance splitting, enhancement, and position shift of the resonance peaks under different magnetic modulation are observed at four different fractal stages, and the relationship between the conductance in the fractal structure and magnetic modulation is also revealed. The results indicate the spectra of the transmission can be considered as fingerprints for the fractal structures, which show the subtle correspondence between magnetic structures and transport behaviors.

Fabrication and In Situ Transmission Electron Microscope Characterization of Free-Standing Graphene Nanoribbon Devices.

PubMed

Wang, Qing; Kitaura, Ryo; Suzuki, Shoji; Miyauchi, Yuhei; Matsuda, Kazunari; Yamamoto, Yuta; Arai, Shigeo; Shinohara, Hisanori

2016-01-26

Edge-dependent electronic properties of graphene nanoribbons (GNRs) have attracted intense interests. To fully understand the electronic properties of GNRs, the combination of precise structural characterization and electronic property measurement is essential. For this purpose, two experimental techniques using free-standing GNR devices have been developed, which leads to the simultaneous characterization of electronic properties and structures of GNRs. Free-standing graphene has been sculpted by a focused electron beam in transmission electron microscope (TEM) and then purified and narrowed by Joule heating down to several nanometer width. Structure-dependent electronic properties are observed in TEM, and significant increase in sheet resistance and semiconducting behavior become more salient as the width of GNR decreases. The narrowest GNR width we obtained with the present method is about 1.6 nm with a large transport gap of 400 meV.

Thermodynamical and thermoelectric properties of boron doped YPd{sub 3} and YRh{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com; Sharma, Ramesh

2016-05-23

The structural, electronic, thermal, and optical properties of borides of cubic non-magnetic YX{sub 3} (X=Rh, Pd) compounds and their borides which crystallize in the AuCu{sub 3} structure have been studied using the density functional theory (DFT). The flat bands in the vicinity of E{sub F} which are associated with superconductivity appear in YPd{sub 3} and YRh{sub 3} band structures. However, the B s-states enhance the flat band only in YRh{sub 3}B. The optical properties clearly show that boron insertion modifies the absorption and transmittance. The YX{sub 3} alloys and their borides exhibit valuable changes in the thermopower and ZT. Itmore » is observed that the properties of the Y-X intermetallics change significantly for the Y-Rh and Y-Pd alloys and the presence of single boron atom modifies the properties to a great extent.« less

Effect of grain size on structural and dielectric properties of barium titanate piezoceramics synthesized by high energy ball milling

NASA Astrophysics Data System (ADS)

Verma, Narendra Kumar; Patel, Sandeep Kumar Singh; Kumar, Dinesh; Singh, Chandra Bhal; Singh, Akhilesh Kumar

2018-05-01

We have investigated the effect of sintering temperature on the densification behaviour, grain size, structural and dielectric properties of BaTiO3 ceramics, prepared by high energy ball milling method. The Powder x-ray diffraction reveals the tetragonal structure with space group P4mm for all the samples. The samples were sintered at four different temperatures, (T = 900°C, 1000°C, 1100°C, 1200°C and 1300°C). Density increased with increasing sintering temperature, reaching up to 97% at 1300°C. A grain growth was observed with increasing sintering temperature. Impedance analyses of the sintered samples at various temperatures were performed. Increase in dielectric constant and Curie temperature is observed with increasing sintering temperature.

Topological defects in electric double layers of ionic liquids at carbon interfaces

DOE PAGES

Black, Jennifer M.; Okatan, Mahmut Baris; Feng, Guang; ...

2015-06-07

The structure and properties of the electrical double layer in ionic liquids is of interest in a wide range of areas including energy storage, catalysis, lubrication, and many more. Theories describing the electrical double layer for ionic liquids have been proposed, however a full molecular level description of the double layer is lacking. To date, studies have been predominantly focused on ion distributions normal to the surface, however the 3D nature of the electrical double layer in ionic liquids requires a full picture of the double layer structure not only normal to the surface, but also in plane. Here wemore » utilize 3D force mapping to probe the in plane structure of an ionic liquid at a graphite interface and report the direct observation of the structure and properties of topological defects. The observation of ion layering at structural defects such as step-edges, reinforced by molecular dynamics simulations, defines the spatial resolution of the method. Observation of defects allows for the establishment of the universality of ionic liquid behavior vs. separation from the carbon surface and to map internal defect structure. In conclusion, these studies offer a universal pathway for probing the internal structure of topological defects in soft condensed matter on the nanometer level in three dimensions.« less

Characterization of TEM Moiré Patterns Originating from Two Monolayer Graphenes Grown on the Front and Back Sides of a Copper Substrate by CVD Method

NASA Astrophysics Data System (ADS)

Yamazaki, Kenji; Maehara, Yosuke; Gohara, Kazutoshi

2018-06-01

The number of layers affects the electronic properties of graphene owing to its unique band structure, called the Dirac corn. Raman spectroscopy is a key diagnostic tool for identifying the number of graphene layers and for determining their physical properties. Here, we observed moiré structures in transmission electron microscopy (TEM) observations; these are signature patterns in multilayer, although Raman spectra showed the typical intensity of the 2D/G peak in the monolayer. We also performed a multi-slice TEM image simulation to compare the 3D atomic structures of the two graphene membranes with experimental TEM images. We found that the experimental moiré image was constructed with a 9-12 Å interlayer distance between graphene membranes. This structure was constructed by transferring CVD-grown graphene films that formed on both sides of the Cu substrate at once.

Synergistic effect of indium and gallium co-doping on the properties of RF sputtered ZnO thin films

NASA Astrophysics Data System (ADS)

Shaheera, M.; Girija, K. G.; Kaur, Manmeet; Geetha, V.; Debnath, A. K.; Karri, Malvika; Thota, Manoj Kumar; Vatsa, R. K.; Muthe, K. P.; Gadkari, S. C.

2018-04-01

ZnO thin films were synthesized using RF magnetron sputtering, with simultaneous incorporation of Indium (In) and Gallium (Ga). The structural, optical, chemical composition and surface morphology of the pure and co-doped (IGZO) thin films were characterized by X-Ray diffraction (XRD), UV-visible spectroscopy, Field Emission Scanning Electron Microscopy (FESEM), and Raman spectroscopy. XRD revealed that these films were oriented along c-axis with hexagonal wurtzite structure. The (002) diffraction peak in the co-doped sample was observed at 33.76° with a slight shift towards lower 2θ values as compared to pure ZnO. The surface morphology of the two thin films was observed to differ. For pure ZnO films, round grains were observed and for IGZO thin films round as well as rod type grains were observed. All thin films synthesized show excellent optical properties with more than 90% transmission in the visible region and band gap of the films is observed to decrease with co-doping. The co doping of In and Ga is therefore expected to provide a broad range optical and physical properties of ZnO thin films for a variety of optoelectronic applications.

Exploring parameter space effects on structure-property relationships of surfactants at liquid-liquid interfaces.

PubMed

Emborsky, Christopher P; Cox, Kenneth R; Chapman, Walter G

2011-08-28

The ubiquitous use of surfactants in commercial and industrial applications has led to many experimental, theoretical, and simulation based studies. These efforts seek to provide a molecular level understanding of the effects on structuring behavior and the corresponding impacts on observable properties (e.g., interfacial tension). With such physical detail, targeted system design can be improved over typical techniques of observational trends and phenomenological correlations by taking advantage of predictive system response. This research provides a systematic study of part of the broad parameter space effects on equilibrium microstructure and interfacial properties of amphiphiles at a liquid-liquid interface using the interfacial statistical associating fluid theory density functional theory as a molecular model for the system from the bulk to the interface. Insights into the molecular level physics and thermodynamics governing the system behavior are discussed as they relate to both predictions qualitatively consistent with experimental observations and extensions beyond currently available studies. © 2011 American Institute of Physics

Odd–even structural sensitivity on dynamics in network-forming ionic liquids

DOE PAGES

Yang, Ke; Cai, Zhikun; Tyagi, Madhusudan; ...

2016-04-13

Understanding structural sensitivity on properties of materials is an important step toward the rational design of materials. As a compelling case of sensitive structure-property relationship, an odd-even effect refers to the alternating trend of physical or chemical properties on odd/even number of repeating structural units. In crystalline or semi-crystalline materials, such odd-even variations of macroscopic properties emerge as manifestations of differences in the periodic packing patterns of molecules. Therefore, due to the lack of long-range order, such odd-even phenomenon is not expected in liquids. Herein, we report the discovery of a remarkable odd-even effect of the dynamical properties in themore » liquid phase, which challenges the traditional periodic packing explanations. In a class of network-forming ionic liquid (NIL), using incoherent quasi-elastic neutron scattering measurements, we measured the dynamical properties including the diffusion coefficient and the rotational relaxation time. These dynamical properties showed pronounced alternating trends with increased number of methylene (–CH 2– ) groups in the backbone. Meanwhile, the structure factor S(Q) showed no long-range periodic packing of molecules, while the pair distribution function g(r) revealed subtle differences in the local molecular morphology. As a result, the observed dynamical odd-even phenomenon in liquids showed that profound dynamical changes originate from subtle local structural differences.« less

Thermal Properties of A Solar Coronal Cavity Observed with the X-Ray Telescope on Hinode

NASA Technical Reports Server (NTRS)

Reeves, Katherine K.; Gibson, Sarah E.; Kucera, Theresa A.; Hudson, Hugh S.; Kano, Ryouhei

2011-01-01

Coronal cavities are voids in coronal emission often observed above high latitude filament channels. Sometimes, these cavities have areas of bright X-ray emission in their centers. In this study, we use data from the X-ray Telescope (XRT) on the Hinode satellite to examine the thermal emission properties of a cavity observed during July 2008 that contains bright X-ray emission in its center. Using ratios of XRT filters, we find evidence for elevated temperatures in the cavity center. The area of elevated temperature evolves from a ring-shaped structure at the beginning of the observation, to an elongated structure two days later, finally appearing as a compact round source four days after the initial observation. We use a morphological model to fit the cavity emission, and find that a uniform structure running through the cavity does not fit the observations well. Instead, the observations are reproduced by modeling several short cylindrical cavity "cores" with different parameters on different days. These changing core parameters may be due to some observed activity heating different parts of the cavity core at different times. We find that core temperatures of 1.75 MK, 1.7 MK and 2.0 MK (for July 19, July 21 and July 23, respectively) in the model lead to structures that are consistent with the data, and that line-of-sight effects serve to lower the effective temperature derived from the filter ratio.

The study of electronic structure and properties of silicene for gas sensor application

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wella, Sasfan A.; Syaputra, Marhamni; Wungu, Triati D. K., E-mail: triati@fi.itb.ac.id

2016-03-11

In this study, we investigated the adsorption of gas molecules (H{sub 2}S, CO) on pristine silicene using first principles calculation. The structure, electronic properties, and adsorption energy of H{sub 2}S,CO/silicene are discussed thoroughly. We found that the pristine silicenewith low buckling structure is the most stable as compared with planar and high buckling structures. Silicene was able to detect a gas molecule which can be observed according tothe density of states analysis. Though a gas molecule adsorbed weakly, the electronic properties of the low buckling pristine silicene changed from semi-metal (zero band gap) to semiconductor. The adsorption energy of H{submore » 2}S and CO on silicene is 0.075 eV and 0.06 eV, respectively.« less

Mechanical behavior of regular open-cell porous biomaterials made of diamond lattice unit cells.

PubMed

Ahmadi, S M; Campoli, G; Amin Yavari, S; Sajadi, B; Wauthle, R; Schrooten, J; Weinans, H; Zadpoor, A A

2014-06-01

Cellular structures with highly controlled micro-architectures are promising materials for orthopedic applications that require bone-substituting biomaterials or implants. The availability of additive manufacturing techniques has enabled manufacturing of biomaterials made of one or multiple types of unit cells. The diamond lattice unit cell is one of the relatively new types of unit cells that are used in manufacturing of regular porous biomaterials. As opposed to many other types of unit cells, there is currently no analytical solution that could be used for prediction of the mechanical properties of cellular structures made of the diamond lattice unit cells. In this paper, we present new analytical solutions and closed-form relationships for predicting the elastic modulus, Poisson׳s ratio, critical buckling load, and yield (plateau) stress of cellular structures made of the diamond lattice unit cell. The mechanical properties predicted using the analytical solutions are compared with those obtained using finite element models. A number of solid and porous titanium (Ti6Al4V) specimens were manufactured using selective laser melting. A series of experiments were then performed to determine the mechanical properties of the matrix material and cellular structures. The experimentally measured mechanical properties were compared with those obtained using analytical solutions and finite element (FE) models. It has been shown that, for small apparent density values, the mechanical properties obtained using analytical and numerical solutions are in agreement with each other and with experimental observations. The properties estimated using an analytical solution based on the Euler-Bernoulli theory markedly deviated from experimental results for large apparent density values. The mechanical properties estimated using FE models and another analytical solution based on the Timoshenko beam theory better matched the experimental observations. Copyright © 2014 Elsevier Ltd. All rights reserved.

Age Related Changes in Topological Properties of Brain Functional Network and Structural Connectivity.

PubMed

Shah, Chandan; Liu, Jia; Lv, Peilin; Sun, Huaiqiang; Xiao, Yuan; Liu, Jieke; Zhao, Youjin; Zhang, Wenjing; Yao, Li; Gong, Qiyong; Lui, Su

2018-01-01

Introduction: There are still uncertainties about the true nature of age related changes in topological properties of the brain functional network and its structural connectivity during various developmental stages. In this cross- sectional study, we investigated the effects of age and its relationship with regional nodal properties of the functional brain network and white matter integrity. Method: DTI and fMRI data were acquired from 458 healthy Chinese participants ranging from age 8 to 81 years. Tractography was conducted on the DTI data using FSL. Graph Theory analyses were conducted on the functional data yielding topological properties of the functional network using SPM and GRETNA toolbox. Two multiple regressions were performed to investigate the effects of age on nodal topological properties of the functional brain network and white matter integrity. Result: For the functional studies, we observed that regional nodal characteristics such as node betweenness were decreased while node degree and node efficiency was increased in relation to increasing age. Perversely, we observed that the relationship between nodal topological properties and fasciculus structures were primarily positive for nodal betweenness but negative for nodal degree and nodal efficiency. Decrease in functional nodal betweenness was primarily located in superior frontal lobe, right occipital lobe and the global hubs. These brain regions also had both direct and indirect anatomical relationships with the 14 fiber bundles. A linear age related decreases in the Fractional anisotropy (FA) value was found in the callosum forceps minor. Conclusion: These results suggests that age related differences were more pronounced in the functional than in structural measure indicating these measures do not have direct one-to-one mapping. Our study also indicates that the fiber bundles with longer fibers exhibited a more pronounced effect on the properties of functional network.

The geoeffectiveness of CIRs and ICMEs

NASA Astrophysics Data System (ADS)

Shen, C.; Chi, Y.; Wang, Y.

2017-12-01

The corotation rotation regions (CIRs) and interplanetary coronal mass ejections (CMEs) are two typical large scale structures in interplanetary space and also important sources of geomagnetic storms. Using the WIND observations from 1995, the CIRs and ICMEs have been identified manually. Totally, there are 800 CIRs and 500 ICMEs during this period. Based on these catalogues, the properties and geoeffectiveness of CIRs and ICMEs have been carefully studied. In the presentation, we will introduce the properties of these structures first. Then, the detailed comparison between these two structures will also be addressed.

Statistical survey of day-side magnetospheric current flow using Cluster observations: magnetopause

NASA Astrophysics Data System (ADS)

Liebert, Evelyn; Nabert, Christian; Perschke, Christopher; Fornaçon, Karl-Heinz; Glassmeier, Karl-Heinz

2017-05-01

We present a statistical survey of current structures observed by the Cluster spacecraft at high-latitude day-side magnetopause encounters in the close vicinity of the polar cusps. Making use of the curlometer technique and the fluxgate magnetometer data, we calculate the 3-D current densities and investigate the magnetopause current direction, location, and magnitude during varying solar wind conditions. We find that the orientation of the day-side current structures is in accordance with existing magnetopause current models. Based on the ambient plasma properties, we distinguish five different transition regions at the magnetopause surface and observe distinctive current properties for each region. Additionally, we find that the location of currents varies with respect to the onset of the changes in the plasma environment during magnetopause crossings.

Synthesis, quantitative structure-property relationship study of novel fluorescence active 2-pyrazolines and application.

PubMed

Girgis, Adel S; Basta, Altaf H; El-Saied, Houssni; Mohamed, Mohamed A; Bedair, Ahmad H; Salim, Ahmad S

2018-03-01

A variety of fluorescence-active fluorinated pyrazolines 13-33 was synthesized in good yields through cyclocondensation reaction of propenones 1-9 with aryl hydrazines 10-12 . Some of the synthesized compounds provided promising fluorescence properties with quantum yield ( Φ ) higher than that of quinine sulfate (standard reference). Quantitative structure-property relationship studies were undertaken supporting the exhibited fluorescence properties and estimating the parameters governing properties. Five synthesized fluorescence-active pyrazolines ( 13 , 15 , 18 , 19 and 23 ) with variable Φ were selected for treating two types of paper sheets (Fabriano and Bible paper). These investigated fluorescence compounds, especially compounds 19 and 23 , provide improvements in strength properties of paper sheets. Based on the observed performance they can be used as markers in security documents.

Synthesis, quantitative structure-property relationship study of novel fluorescence active 2-pyrazolines and application

NASA Astrophysics Data System (ADS)

Girgis, Adel S.; Basta, Altaf H.; El-Saied, Houssni; Mohamed, Mohamed A.; Bedair, Ahmad H.; Salim, Ahmad S.

2018-03-01

A variety of fluorescence-active fluorinated pyrazolines 13-33 was synthesized in good yields through cyclocondensation reaction of propenones 1-9 with aryl hydrazines 10-12. Some of the synthesized compounds provided promising fluorescence properties with quantum yield (Φ) higher than that of quinine sulfate (standard reference). Quantitative structure-property relationship studies were undertaken supporting the exhibited fluorescence properties and estimating the parameters governing properties. Five synthesized fluorescence-active pyrazolines (13, 15, 18, 19 and 23) with variable Φ were selected for treating two types of paper sheets (Fabriano and Bible paper). These investigated fluorescence compounds, especially compounds 19 and 23, provide improvements in strength properties of paper sheets. Based on the observed performance they can be used as markers in security documents.

Structural Evolution and Mechanical Properties of PMR-15/Layered Silicate Nanocomposites

NASA Technical Reports Server (NTRS)

Campbell, Sandi (Technical Monitor); Dean, Derrick; Abdalla, Mohamed; Green, Keith; Small, Sharee

2003-01-01

In the first year of this research, we successfully synthesized and characterized Polymer/ Layered Silicate nanocomposite using the polyimide PMR-15 as the polymer and several layered silicate nanoparticles. We have scaled up the process to allow fabrication of monoliths using these nanocomposites. The morphology of these systems was found to evolve during processing to an exfoliated structure for one system and intercalated for the rest. Correlation with Transmission Electron Microscopy studies is underway. Dynamic mechanical analysis (DMA) results showed a significant increase in the thermomechanical properties (E' and E'') of 2.5 wt.% clay loaded nanocomposites in comparison to the neat polyimide. Increasing the clay loading to 5 wt.% decreased these properties. Higher glass transition temperatures were observed for 2.5 wt.% nanocomposites compared to the neat polyimide. A lower coefficient of thermal expansion was observed only for the PGV/PMR-15 nanocomposite. An improvement in the flexural properties (modulus, strength and elongation) was observed for the 2.5 wt.% nanocomposite but not for the 5 wt.% nanocomposites. The improved barrier properties polymer/ silicate nanocomposites suggest that moisture uptake should be decreased for PMR-15 nanocomposites. The results of some recent experiments to examine delineate the ability of the silicate nanoparticles in improving the hydrolytic degradation of PMR-15 will be discussed.

Dissecting the relationship between protein structure and sequence variation

NASA Astrophysics Data System (ADS)

Shahmoradi, Amir; Wilke, Claus; Wilke Lab Team

2015-03-01

Over the past decade several independent works have shown that some structural properties of proteins are capable of predicting protein evolution. The strength and significance of these structure-sequence relations, however, appear to vary widely among different proteins, with absolute correlation strengths ranging from 0 . 1 to 0 . 8 . Here we present the results from a comprehensive search for the potential biophysical and structural determinants of protein evolution by studying more than 200 structural and evolutionary properties in a dataset of 209 monomeric enzymes. We discuss the main protein characteristics responsible for the general patterns of protein evolution, and identify sequence divergence as the main determinant of the strengths of virtually all structure-evolution relationships, explaining ~ 10 - 30 % of observed variation in sequence-structure relations. In addition to sequence divergence, we identify several protein structural properties that are moderately but significantly coupled with the strength of sequence-structure relations. In particular, proteins with more homogeneous back-bone hydrogen bond energies, large fractions of helical secondary structures and low fraction of beta sheets tend to have the strongest sequence-structure relation. BEACON-NSF center for the study of evolution in action.

Structure models: From shell model to ab initio methods. A brief introduction to microscopic theories for exotic nuclei

NASA Astrophysics Data System (ADS)

Bacca, Sonia

2016-04-01

A brief review of models to describe nuclear structure and reactions properties is presented, starting from the historical shell model picture and encompassing modern ab initio approaches. A selection of recent theoretical results on observables for exotic light and medium-mass nuclei is shown. Emphasis is given to the comparison with experiment and to what can be learned about three-body forces and continuum properties.

Genomic signatures of paleodrainages in a freshwater fish along the southeastern coast of Brazil: genetic structure reflects past riverine properties.

PubMed

Thomaz, A T; Malabarba, L R; Knowles, L L

2017-10-01

Past shifts in connectivity in riverine environments (for example, sea-level changes) and the properties of current drainages can act as drivers of genetic structure and demographic processes in riverine population of fishes. However, it is unclear whether the same river properties that structure variation on recent timescales will also leave similar genomic signatures that reflect paleodrainage properties. By characterizing genetic structure in a freshwater fish species (Hollandichthys multifasciatus) from a system of basins along the Atlantic coast of Brazil we test for the effects of paleodrainages caused by sea-level changes during the Pleistocene. Given that the paleodrainage properties differ along the Brazilian coast, we also evaluate whether estimated genetic diversity within paleodrainages can be explained by past riverine properties (i.e., area and number of rivers in a paleodrainage). Our results demonstrate that genetic structure between populations is not just highly concordant with paleodrainages, but that differences in the genetic diversity among paleodrainages correspond to the joint effect of differences in the area encompassed by, and the number of rivers, within a paleodrainage. Our findings extend the influence of current riverine properties on genetic diversity to those associated with past paleodrainage properties. We discuss how these findings may explain the inconsistent support for paleodrainages in structuring divergence from different global regions and the importance of taking into account past conditions for understanding the high species diversity of freshwater fish that we currently observe in the world, and especially in the Neotropics.

Imaging spectroscopy of solar radio burst fine structures.

PubMed

Kontar, E P; Yu, S; Kuznetsov, A A; Emslie, A G; Alcock, B; Jeffrey, N L S; Melnik, V N; Bian, N H; Subramanian, P

2017-11-15

Solar radio observations provide a unique diagnostic of the outer solar atmosphere. However, the inhomogeneous turbulent corona strongly affects the propagation of the emitted radio waves, so decoupling the intrinsic properties of the emitting source from the effects of radio wave propagation has long been a major challenge in solar physics. Here we report quantitative spatial and frequency characterization of solar radio burst fine structures observed with the Low Frequency Array, an instrument with high-time resolution that also permits imaging at scales much shorter than those corresponding to radio wave propagation in the corona. The observations demonstrate that radio wave propagation effects, and not the properties of the intrinsic emission source, dominate the observed spatial characteristics of radio burst images. These results permit more accurate estimates of source brightness temperatures, and open opportunities for quantitative study of the mechanisms that create the turbulent coronal medium through which the emitted radiation propagates.

Design and application of water-in-oil emulsions for use in lipstick formulations.

PubMed

Le Révérend, B J D; Taylor, M S; Norton, I T

2011-06-01

The addition of water to lipsticks in the form of a water-in-oil emulsion is an attractive opportunity for cosmetics manufacturers to deliver hydrophilic molecules to the consumers, as well as improving the moisturizing properties. In this work, the effect of the emulsifier type and water content on the structural properties of the designed products was investigated. It has been shown that PGPR leads to smaller droplets than the other emulsifiers tested. This was attributed to the ability of PGPR to form elastic interfaces that slow the coalescence between droplets during the process. It was also observed that crystals of wax tend to form structures at the interface upon cooling that prevent coalescence during storage. These structures also prevent leakage of water into the continuous phase. No effect of the water content on the melting properties of the emulsions was observed. Upon addition of more than 10% water, softening of the material was measured, due to the overall decrease in solid content. Addition of crystalline material (hard paraffin) was successfully used to reinstate the material properties. © 2011 The Authors. ICS © 2011 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides Resulting from Competitive Salt and Solvent Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rajput, Nav Nidhi; Murugesan, Vijayakumar; Shin, Yongwoo

2017-04-10

Fundamental molecular level understanding of functional properties of liquid solutions provides an important basis for designing optimized electrolytes for numerous applica-tions. In particular, exhaustive knowledge of solvation structure, stability and transport properties is critical for developing stable electrolytes for fast charging and high energy density next-generation energy storage systems. Here we report the correlation between solubility, solvation structure and translational dynamics of a lithium salt (Li-TFSI) and polysulfides species using well-benchmarked classical molecular dynamics simulations combined with nuclear magnetic resonance (NMR). It is observed that the polysulfide chain length has a significant effect on the ion-ion and ion-solvent interaction asmore » well as on the diffusion coefficient of the ionic species in solution. In particular, extensive cluster formation is observed in lower order poly-sulfides (Sx2-; x≤4), whereas the longer polysulfides (Sx2-; x>4) show high solubility and slow dynamics in the solu-tion. It is observed that optimal solvent/salt ratio is essen-tial to control the solubility and conductivity as the addi-tion of Li salt increases the solubility but decreases the mo-bility of the ionic species. This work provides a coupled theoretical and experimental study of bulk solvation struc-ture and transport properties of multi-component electro-lyte systems, yielding design metrics for developing optimal electrolytes with improved stability and solubility.« less

Imaging Analysis of Near-Field Recording Technique for Observation of Biological Specimens

NASA Astrophysics Data System (ADS)

Moriguchi, Chihiro; Ohta, Akihiro; Egami, Chikara; Kawata, Yoshimasa; Terakawa, Susumu; Tsuchimori, Masaaki; Watanabe, Osamu

2006-07-01

We present an analysis of the properties of an imaging based on a near-field recording technique in comparison with simulation results. In the system, the optical field distributions localized near the specimens are recorded as the surface topographic distributions of a photosensitive film. It is possible to observe both soft and moving specimens, because the system does not require a scanning probe to obtain the observed image. The imaging properties are evaluated using fine structures of paramecium, and we demonstrate that it is possible to observe minute differences of refractive indices.

High-resolution Earth-based lunar radar studies: Applications to lunar resource assessment

NASA Technical Reports Server (NTRS)

Stacy, N. J. S.; Campbell, D. B.

1992-01-01

The lunar regolith will most likely be a primary raw material for lunar base construction and resource extraction. High-resolution radar observations of the Moon provide maps of radar backscatter that have intensity variations generally controlled by the local slope, material, and structural properties of the regolith. The properties that can be measured by the radar system include the dielectric constant, density, loss tangent, and wavelength scale roughness. The radar systems currently in operation at several astronomical observatories provide the ability to image the lunar surface at spatial resolutions approaching 30 m at 3.8 cm and 12.6 cm wavelengths and approximately 500 m at 70 cm wavelength. The radar signal penetrates the lunar regolith to a depth of 10-20 wavelengths so the measured backscatter contains contributions from the vacuum-regolith interface and from wavelength-scale heterogeneities in the electrical properties of the subsurface material. The three wavelengths, which are sensitive to different scale structures and scattering volumes, provide complementary information on the regolith properties. Aims of the previous and future observations include (1) analysis of the scattering properties associated with fresh impact craters, impact crater rays, and mantled deposits; (2) analysis of high-incidence-angle observations of the lunar mare to investigate measurement of the regolith dielectric constant and hence porosity; (3) investigation of interferometric techniques using two time-delayed observations of the same site, observations that require a difference in viewing geometry less than 0.05 deg and, hence, fortuitous alignment of the Earth-Moon system when visible from Arecibo Observatory.

Effect of film multi-scale structure on the water vapor permeability in hydroxypropyl starch (HPS)/Na-MMT nanocomposites.

PubMed

Liu, Siyuan; Cai, Panfu; Li, Xiaoxi; Chen, Ling; Li, Lin; Li, Bing

2016-12-10

To improve the water vapor resistance of starch-based films, Na-MMT (Na-montmorillonite) as nanofillers were fabricated into hydroxypropyl starch and the multi-scale structural changes (including intermolecular interaction, short-range conformation, long-range ordered structure and the aggregated structure of the film) were revealed. The elongation of the water vapor molecule pathway by tortuous path is generally recognized as the main reason for the improvement of water resistance. However this study observed the lowest water vapor permeability (WVP) was at the 3% Na-MMT/hydroxypropyl starch (HPS) ratio instead of 5% even nanofillers were partially exfoliated at both ratio. Except for the "tortuous path" caused by nanofillers, this observation proposed that the short-range conformation of HPS chains, long-range ordered structure and the aggregated structure likely influenced the water barrier property. The relationship between WVP and multi-scale structure of the film was investigated. The results suggested that a good balance of short-range conformationin the amorphous region, long-range ordered structure and the aggregated structure of the film was required for the improvement of water vapor barrier property. Copyright © 2016 Elsevier Ltd. All rights reserved.

Structure and functionality of nanostructured triacylglycerol crystal networks.

PubMed

Ramel, Pere R; Co, Edmund D; Acevedo, Nuria C; Marangoni, Alejandro G

2016-10-01

In this review, recent advances in the characterization of the nanoscale structure of fat crystal networks are outlined. The effect of different factors on the properties of crystalline nanoplatelets (CNPs) is comprehensively described. These are discussed together with the observed changes in polymorphism and micro- or mesostructural properties so as to have a complete understanding of the influence of different internal and external factors on the material properties of fats. The relationship between the nanostructure and the material properties of fats (i.e., oil binding capacity and rheology) is also described. Characterization of the nanostructure of fats has provided a new dimension to the analysis of fat crystal networks and opportunities for nanoengineering that could result in innovations in the food industry with regards to processing and structuring fatty materials. Copyright © 2016 Elsevier B.V. All rights reserved.

Magnetic transport property of NiFe/WSe2/NiFe spin valve structure

NASA Astrophysics Data System (ADS)

Zhao, Kangkang; Xing, Yanhui; Han, Jun; Feng, Jiafeng; Shi, Wenhua; Zhang, Baoshun; Zeng, Zhongming

2017-06-01

Two-dimensional (2D) materials have been proposed as promising candidate for spintronic applications due to their atomic crystal structure and physical properties. Here, we introduce exfoliated few-layer tungsten diselenide (WSe2) as spacer in a Py/WSe2/Py vertical spin valve. In this junction, the WSe2 spacer exhibits metallic behavior. We observed negative magnetoresistance (MR) with a ratio of -1.1% at 4 K and -0.21% at 300 K. A general phenomenological analysis of the negative MR property is discussed. Our result is anticipated to be beneficial for future spintronic applications.

Structure and dielectric properties of Na0.5Bi0.5TiO3-CaTiO3 solid solutions

NASA Astrophysics Data System (ADS)

Birks, E.; Dunce, M.; Ignatans, R.; Kuzmin, A.; Plaude, A.; Antonova, M.; Kundzins, K.; Sternberg, A.

2016-02-01

Despite wide studies of Na0.5Bi0.5TiO3, structure of this material and its connection with the observed physical properties still raise numerous questions due to mutually contradicting results obtained. Here, structure and dielectric properties of poled and unpoled Na0.5Bi0.5TiO3-CaTiO3 solid solutions are studied, projecting the obtained concentration dependence of structure and dielectric properties on pure Na0.5Bi0.5TiO3 as the end member of this material group. X-ray diffraction patterns for Na0.5Bi0.5TiO3-CaTiO3 solid solutions reveal dominating of an orthorhombic Pnma phase, even for the compositions approaching the end composition (Na0.5Bi0.5TiO3), whereas structure of pure Na0.5Bi0.5TiO3 can be considered, assuming coexistence of rhombohedral and orthorhombic phases. This allows one to avoid appearance of a large difference of rhombohedral distortions between the unpoled and poled Na0.5Bi0.5TiO3, if the rhombohedral distortion is calculated as for single R3c phase. Features of dielectric permittivity, corresponding to the observed structural phase transition, are identified. It is discussed that the rhombohedral R3c phase is responsible for appearance of the frequency-dependent shoulder of dielectric permittivity temperature dependence, characteristic for unpoled Na0.5Bi0.5TiO3.

Markov models for fMRI correlation structure: Is brain functional connectivity small world, or decomposable into networks?

PubMed

Varoquaux, G; Gramfort, A; Poline, J B; Thirion, B

2012-01-01

Correlations in the signal observed via functional Magnetic Resonance Imaging (fMRI), are expected to reveal the interactions in the underlying neural populations through hemodynamic response. In particular, they highlight distributed set of mutually correlated regions that correspond to brain networks related to different cognitive functions. Yet graph-theoretical studies of neural connections give a different picture: that of a highly integrated system with small-world properties: local clustering but with short pathways across the complete structure. We examine the conditional independence properties of the fMRI signal, i.e. its Markov structure, to find realistic assumptions on the connectivity structure that are required to explain the observed functional connectivity. In particular we seek a decomposition of the Markov structure into segregated functional networks using decomposable graphs: a set of strongly-connected and partially overlapping cliques. We introduce a new method to efficiently extract such cliques on a large, strongly-connected graph. We compare methods learning different graph structures from functional connectivity by testing the goodness of fit of the model they learn on new data. We find that summarizing the structure as strongly-connected networks can give a good description only for very large and overlapping networks. These results highlight that Markov models are good tools to identify the structure of brain connectivity from fMRI signals, but for this purpose they must reflect the small-world properties of the underlying neural systems. Copyright © 2012 Elsevier Ltd. All rights reserved.

How does tissue regeneration influence the mechanical behavior of additively manufactured porous biomaterials?

PubMed

Hedayati, R; Janbaz, S; Sadighi, M; Mohammadi-Aghdam, M; Zadpoor, A A

2017-01-01

Although the initial mechanical properties of additively manufactured porous biomaterials are intensively studied during the last few years, almost no information is available regarding the evolution of the mechanical properties of implant-bone complex as the tissue regeneration progresses. In this paper, we studied the effects of tissue regeneration on the static and fatigue behavior of selective laser melted porous titanium structures with three different porosities (i.e. 77, 81, and 85%). The porous structures were filled with four different polymeric materials with mechanical properties in the range of those observed for de novo bone (0.7GPa

Structure and properties during aging of an ultra-high strength Al-Cu-Li-Ag-Mg alloy

NASA Technical Reports Server (NTRS)

Gayle, Frank W.; Heubaum, Frank H.; Pickens, Joseph R.

1990-01-01

The structure and properties of the strengthening phases formed during aging in an Al-Cu-Li-Ag-Mg alloy (Weldalite 049) were elulcidated, by following the development of the microstructure by means of TEM. The results of observations showed that the Weldalite 049 alloy has a series of unusual and technologically useful combinations of mechanical properties in different aging conditions, such as natural aging without prior cold work to produce high strengths, a reversion temper of lower yield strength and unusually high ductility, a room temperature reaging of the reversion temper eventually leading to the original T4 hardness, and ultrahigh-strength T6 properties.

Theoretical calculations of structural, electronic, and elastic properties of CdSe1-x Te x : A first principles study

NASA Astrophysics Data System (ADS)

M, Shakil; Muhammad, Zafar; Shabbir, Ahmed; Muhammad Raza-ur-rehman, Hashmi; M, A. Choudhary; T, Iqbal

2016-07-01

The plane wave pseudo-potential method was used to investigate the structural, electronic, and elastic properties of CdSe1-x Te x in the zinc blende phase. It is observed that the electronic properties are improved considerably by using LDA+U as compared to the LDA approach. The calculated lattice constants and bulk moduli are also comparable to the experimental results. The cohesive energies for pure CdSe and CdTe binary and their mixed alloys are calculated. The second-order elastic constants are also calculated by the Lagrangian theory of elasticity. The elastic properties show that the studied material has a ductile nature.

ESTIMATION OF CHEMICAL SPECIFIC PARAMETERS WITHIN PHYSIOLOGICALLY BASED PHARMACOKINETIC/PHARMACODYNAMIC MODELS

EPA Science Inventory

While relationships between chemical structure and observed properties or activities (QSAR - quantitative structure activity relationship) can be used to predict the behavior of unknown chemicals, this method is semiempirical in nature relying on high quality experimental data to...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heo, Yooun; Lee, Jin Hong; Xie, Lin

Enhanced properties in modern functional materials can often be found at structural transition regions, such as morphotropic phase boundaries (MPB), owing to the coexistence of multiple phases with nearly equivalent energies. Strain-engineered MPBs have emerged in epitaxially grown BiFeO 3 (BFO) thin films by precisely tailoring a compressive misfit strain, leading to numerous intriguing phenomena, such as a massive piezoelectric response, magnetoelectric coupling, interfacial magnetism and electronic conduction. Recently, an orthorhombic–rhombohedral (O–R) phase boundary has also been found in tensile-strained BFO. In this study, we characterise the crystal structure and electronic properties of the two competing O and R phasesmore » using X-ray diffraction, scanning probe microscope and scanning transmission electron microscopy (STEM). We observe the temperature evolution of R and O domains and find that the domain boundaries are highly conductive. Temperature-dependent measurements reveal that the conductivity is thermally activated for R–O boundaries. STEM observations point to structurally wide boundaries, significantly wider than in other systems. Furthermore, we reveal a strong correlation between the highly conductive domain boundaries and structural material properties. These findings provide a pathway to use phase boundaries in this system for novel nanoelectronic applications.« less

Investigations on the physical and optical properties of cirrus clouds and their relationship with ice nuclei concentration using LIDAR at Gadanki, India (13.5°N, 79.2°E)

NASA Astrophysics Data System (ADS)

Krishnakumar, Vasudevannair; Satyanarayana, Malladi; Radhakrishnan, Soman R.; Dhaman, Reji K.; Pillai, Vellara P. Mahadevan; Raghunath, Karnam; Ratnam, Madineni Venkat; Rao, Duggirala Ramakrishna; Sudhakar, Pindlodi

2011-01-01

Cirrus cloud measurements over the tropics are receiving much attention recently due to their role in the Earth's radiation budget. The interaction of water vapor and aerosols plays a major role in phase formation of cirrus clouds. Many factors control the ice supersaturation and microphysical properties in cirrus clouds and, as such, investigations on these properties of cirrus clouds are critical for proper understanding and simulating the climate. In this paper we report on the evolution, microphysical, and optical properties of cirrus clouds using the Mie LIDAR operation at the National Atmospheric Research Laboratory, Gadanki, India (13.5°N, 79.2°E), an inland tropical station. The occurrence statistics, height, optical depth, depolarization ratio of the cirrus clouds, and their relationship with ice nuclei concentration were investigated over 29 days of observation during the year 2002. Cirrus clouds with a base altitude as low as 8.4 km are observed during the month of January and clouds with a maximum top height of 17.1 km are observed during the month of May. The cirrus has a mean thickness of 2 km during the period of study. The LIDAR ratio varies from 30 to 36 sr during the summer days of observation and 25 to 31 sr during the winter days of observation. Depolarization values range from 0.1 to 0.58 during the period of observation. The ice nuclei concentration has been calculated using the De Motts equation. It is observed that during the monsoon months of June, July, and August, there appears to be an increase in the ice nuclei number concentration. From the depolarization data an attempt is made to derive the ice crystal orientation and their structure of the cirrus. Crystal structures such as thin plates, thick plates, regular hexagons, and hexagonal columns are observed in the study. From the observed crystal structure and ice nuclei concentration, the possible nucleation mechanism is suggested.

Theoretical study on strain induced variations in electronic properties of 2H-MoS{sub 2} bilayer sheets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Liang; Dongare, Avinash M., E-mail: dongare@uconn.edu; Namburu, Raju R.

2014-02-03

The strain dependence of the electronic properties of bilayer sheets of 2H-MoS{sub 2} is studied using ab initio simulations based on density functional theory. An indirect band gap for bilayer MoS{sub 2} is observed for all variations of strain along the basal plane. Several transitions for the indirect band gap are observed for various strains for the bilayer structure. The variation of the band gap and the carrier effective masses for the holes and the electrons for the bilayer MoS{sub 2} structure under conditions of uniaxial strain, biaxial strain, as well as uniaxial stress is investigated.

Layered graphene-mica substrates induce melting of DNA origami

NASA Astrophysics Data System (ADS)

Green, Nathaniel S.; Pham, Phi H. Q.; Crow, Daniel T.; Burke, Peter J.; Norton, Michael L.

2018-04-01

Monolayer graphene supported on mica substrates induce melting of cross-shaped DNA origami. This behavior can be contrasted with the case of origami on graphene on graphite, where an expansion or partially re-organized structure is observed. On mica, only well-formed structures are observed. Comparison of the morphological differences observed for these probes after adsorption on these substrates provides insights into the sensitivity of DNA based nanostructures to the properties of the graphene monolayer, as modified by its substrate.

Fine structure of spectral properties for random correlation matrices: An application to financial markets

NASA Astrophysics Data System (ADS)

Livan, Giacomo; Alfarano, Simone; Scalas, Enrico

2011-07-01

We study some properties of eigenvalue spectra of financial correlation matrices. In particular, we investigate the nature of the large eigenvalue bulks which are observed empirically, and which have often been regarded as a consequence of the supposedly large amount of noise contained in financial data. We challenge this common knowledge by acting on the empirical correlation matrices of two data sets with a filtering procedure which highlights some of the cluster structure they contain, and we analyze the consequences of such filtering on eigenvalue spectra. We show that empirically observed eigenvalue bulks emerge as superpositions of smaller structures, which in turn emerge as a consequence of cross correlations between stocks. We interpret and corroborate these findings in terms of factor models, and we compare empirical spectra to those predicted by random matrix theory for such models.

Ti-doped ZnO Thin Films Prepared at Different Ambient Conditions: Electronic Structures and Magnetic Properties

PubMed Central

Yong, Zhihua; Liu, Tao; Uruga, Tomoya; Tanida, Hajime; Qi, Dongchen; Rusydi, Andrivo; Wee, Andrew T. S.

2010-01-01

We present a comprehensive study on Ti-doped ZnO thin films using X-ray Absorption Fine Structure (XAFS) spectroscopy. Ti K edge XAFS spectra were measured to study the electronic and chemical properties of Ti ions in the thin films grown under different ambient atmospheres. A strong dependence of Ti speciation, composition, and local structures upon the ambient conditions was observed. The XAFS results suggest a major tetrahedral coordination and a 4+ valence state. The sample grown in a mixture of 80% Ar and 20% O2 shows a portion of precipitates with higher coordination. A large distortion was observed by the Ti substitution in the ZnO lattice. Interestingly, the film prepared in 80% Ar, 20% O2 shows the largest saturation magnetic moment of 0.827 ± 0.013 µB/Ti.

Laboratory Investigation of the Growth and Crystal Structure of Nitric Acid Hydrates by Transmission Electron Microscopy (TEM)

NASA Technical Reports Server (NTRS)

Blake, David F.; Chang, Sherwood (Technical Monitor)

1994-01-01

A great deal of recent laboratory work has focussed on the characterization of the nitric acid hydrates, thought to be present in type I Polar Stratospheric Clouds (PSCs). Phase relationships and vapor pressure measurements (1-3) and infrared characterizations (4-5) have been made. However, the observed properties of crystalline solids (composition, melting point, vapor pressure, surface reactivity, thermodynamic stability, extent of solid solution with other components, etc.) are controlled by their crystal structure. The only means of unequivocal structural identification for crystalline solids is diffraction (using electrons, X-rays, neutrons, etc.). Other observed properties of crystalline solids, such as their infrared spectra, their vapor pressure as a function of temperature, etc. yield only indirect information about what phases are present, their relative proportions, or whether they are crystalline or amorphous.

Ab Initio Calculations of Transport Properties of Vanadium Oxides

NASA Astrophysics Data System (ADS)

Lamsal, Chiranjivi; Ravindra, N. M.

2018-04-01

The temperature-dependent transport properties of vanadium oxides have been studied near the Fermi energy using the Kohn-Sham band structure approach combined with Boltzmann transport equations. V2O5 exhibits significant thermoelectric properties, which can be attributed to its layered structure and stability. Highly anisotropic electrical conduction in V2O5 is clearly manifested in the calculations. Due to specific details of the band structure and anisotropic electron-phonon interactions, maxima and crossovers are also seen in the temperature-dependent Seebeck coefficient of V2O5. During the phase transition of VO2, the Seebeck coefficient changes by 18.9 µV/K, which is close to (within 10% of) the observed discontinuity of 17.3 µV/K.

Effect of Heat Index on Microstructure and Mechanical Behavior of Friction Stir Processed AZ31

NASA Astrophysics Data System (ADS)

Yuan, Wei; Mishra, Rajiv S.

Friction stir processing modifies the micro structure and properties of metals through intense plastic deformation. The frictional heat input affects the microstructure evolution and resulting mechanical properties. 2 mm thick commercial AZ31B-H24 Mg alloy was friction stir processed under various process parameter combinations to investigate the effect of heat index on micro structure and properties. Recrystallized grain structure in the nugget region was observed for all processing conditions with decrease in hardness. Results indicate a reduced tensile yield strength and ultimate tensile strength compared to the as-received material in H-temper, but with an improved hardening capacity. The strain hardening behavior of friction stir processed material is discussed.

Enhanced ferromagnetic properties in Nd and Gd co-doped BiFeO3 ceramics

NASA Astrophysics Data System (ADS)

Jena, A. K.; Chelvane, J. Arout; Mohanty, J.

2018-05-01

Structural, optical and magnetic properties of Nd3+ and Gd3+ doped BiFeO3 were studied. X-ray diffraction studies confirmed that all the co-doped Bi1-x-yNdxGdyFeO3 samples are polycrystalline in nature crystallizing in rhombohedral type structure (Space group: R3c). In addition to this presence of residual phases like Bi2Fe4O9, Bi25FeO40 were also observed. Raman spectra confirms the structural distortion in co-doped ceramics. Band gap of samples decrease from 2.08eV to 1.95eV with increase in Gd concentration. Room temperature magnetization measurement indicated enhancement of magnetic properties with increase in Gd concentration.

Crystal structure stability and electronic properties of the layered nickelate La4Ni3O10

NASA Astrophysics Data System (ADS)

Puggioni, Danilo; Rondinelli, James M.

2018-03-01

We investigate the crystal structure and the electronic properties of the trilayer nickelate La4Ni3O10 by means of quantum-mechanical calculations in the framework of the density-functional theory. We find that, at low temperature, La4Ni3O10 undergoes a hitherto unreported structural phase transition and transforms to a new monoclinic P 21/a phase. This phase exhibits electronic properties in agreement with recent angle-resolved photoemission spectroscopy data reported in H. Li et al., [Nat. Commun. 8, 704 (2017), 10.1038/s41467-017-00777-0] and should be considered in models focused on explaining the observed ˜140 K metal-to-metal phase transition.

Porous calcium polyphosphate bone substitutes: additive manufacturing versus conventional gravity sinter processing-effect on structure and mechanical properties.

PubMed

Hu, Youxin; Shanjani, Yaser; Toyserkani, Ehsan; Grynpas, Marc; Wang, Rizhi; Pilliar, Robert

2014-02-01

Porous calcium polyphosphate (CPP) structures proposed as bone-substitute implants and made by sintering CPP powders to form bending test samples of approximately 35 vol % porosity were machined from preformed blocks made either by additive manufacturing (AM) or conventional gravity sintering (CS) methods and the structure and mechanical characteristics of samples so made were compared. AM-made samples displayed higher bending strengths (≈1.2-1.4 times greater than CS-made samples), whereas elastic constant (i.e., effective elastic modulus of the porous structures) that is determined by material elastic modulus and structural geometry of the samples was ≈1.9-2.3 times greater for AM-made samples. X-ray diffraction analysis showed that samples made by either method displayed the same crystal structure forming β-CPP after sinter annealing. The material elastic modulus, E, determined using nanoindentation tests also showed the same value for both sample types (i.e., E ≈ 64 GPa). Examination of the porous structures indicated that significantly larger sinter necks resulted in the AM-made samples which presumably resulted in the higher mechanical properties. The development of mechanical properties was attributed to the different sinter anneal procedures required to make 35 vol % porous samples by the two methods. A primary objective of the present study, in addition to reporting on bending strength and sample stiffness (elastic constant) characteristics, was to determine why the two processes resulted in the observed mechanical property differences for samples of equivalent volume percentage of porosity. An understanding of the fundamental reason(s) for the observed effect is considered important for developing improved processes for preparation of porous CPP implants as bone substitutes for use in high load-bearing skeletal sites. Copyright © 2013 Wiley Periodicals, Inc.

Mapping spatial variation in rock properties in relationship to scale-dependent structure using spectral curvature

NASA Astrophysics Data System (ADS)

Stewart, S. A.; Wynn, T. J.

2000-08-01

Maps of the three-dimensional geometry of geologic surfaces show that structural curvature commonly varies with scale of observation: This fact can be viewed as superposition of structures at different wavelengths. Rock properties such as fracture density and orientation reflect the contribution of superimposed structures. For this reason, characterization of geologic surfaces is fundamentally different from purely geometrical characterization, for which local description of surface properties is sufficient. We show that measured curvature decays according to a power law with increasing size of measurement window, so short-wavelength curvatures do not obscure long-wavelength curvatures in the same data set. This property can be taken advantage of in a simple technique for automatically mapping multiwavelength curvatures. At each point on a surface, curvature is measured at a range of wavelengths. This curvature spectrum can be analyzed in map view or collapsed into a single value at each point in space. The results indicate that complex geologic surfaces can be characterized without any prior knowledge of structural wavelengths and orientation. The method should prove useful in applications requiring knowledge of spatial variation in rock properties from remotely sensed data, such as exploration for hydrocarbon reservoirs or nuclear waste repositories.

DFT simulation, quantum chemical electronic structure, spectroscopic and structure-activity investigations of 4-acetylpyridine

NASA Astrophysics Data System (ADS)

Atilgan, A.; Yurdakul, Ş.; Erdogdu, Y.; Güllüoğlu, M. T.

2018-06-01

The spectroscopic (UV-Vis and infrared), structural and some electronic property observations of the 4-acetylpyridine (4-AP) were reported, which are investigated by using some spectral methods and DFT calculations. FT-IR spectra were obtained for 4-AP at room temperature in the region 4000 cm-1- 400 cm-1. In the DFT calculations, the B3LYP functional with 6-311G++G(d,p) basis set was applied to carry out the quantum mechanical calculations. The Fourier Transform Infrared (FT-IR) and FT-Raman spectra were interpreted by using of normal coordinate analysis based on scaled quantum mechanical force field. The present work expands our understanding of the both the vibrational and structural properties as well as some electronic properties of the 4-AP by means of the theoretical and experimental methods.

Experimental study and numerical simulation on the structural and mechanical properties of Typha leaves through multimodal microscopy approaches.

PubMed

Liu, Jingjing; Zhang, Zhihui; Yu, Zhenglei; Liang, Yunhong; Li, Xiujuan; Ren, Luquan

2018-01-01

The Typha leaf, with special multi-level structure, low density and excellent mechanical properties, is an ideal bionic prototype utilized for lightweight design. In order to further study the relationship between the structure and mechanical properties, the three-dimensional macroscopic morphology of Typha leaves was characterized by micro computed tomography (Micro-CT) and its internal microstructure was observed by scanning electron microscopy (SEM). The combination of experimental and computational research was carried out in this paper, to reveal and verify the effect of multi-level structure on the mechanical properties. A universal testing machine and a self-developed mechanical testing apparatus with high precision and low load were used to measure the mechanical properties of the axial compression and lateral bending of the leaves, respectively. Three models with different internal structures were established based on the above-mentioned three-dimensional morphologies. The result demonstrated that the structure of partitions and diaphragms within the Typha leaf could form a reinforcement ribs structure which could provide multiple load paths and make the process of compression and bending difficult. The further nonlinear finite element analysis through LS-DYNA proved that internal structure could improve the ability of the models to resist compression and deformation. The investigation can be the reference for lightweight thin-walled structure design and inspire the application of the bionic structural materials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effect of ultrasound treatment on the wet heating Maillard reaction between mung bean [Vigna radiate (L.)] protein isolates and glucose and on structural and physico-chemical properties of conjugates.

PubMed

Wang, Zhongjiang; Han, Feifei; Sui, Xiaonan; Qi, Baokun; Yang, Yong; Zhang, Hui; Wang, Rui; Li, Yang; Jiang, Lianzhou

2016-03-30

The objective of this study was to determine the effect of ultrasound treatment on the wet heating Maillard reaction between mung bean protein isolates (MBPIs) and glucose, and on structural and physico-chemical properties of the conjugates. The degree of glycosylation of MBPI-glucose conjugates treated by ultrasound treatment and wet heating (MBPI-GUH) was higher than that of MBPI-glucose conjugates only treated by wet heating (MBPI-GH). Solubility, emulsification activity, emulsification stability and surface hydrophobicity of MBPI-GUH were higher than that of MBPI-GH. Grafted MBPIs had a lower content of α-helix and unordered coil, but a higher content of β-sheet and β-turn structure than MBPIs. No significant structural changes were observed in β-turn and random coil structure of MBPI-GUH, while α-helix content increased with ultrasonic time, and decreased at 300 W ultrasonic power with the increase of β-sheet. MBPI-GUH had a less compact tertiary structure compared to MBPI-GH and MBPI. Grafting MBPIs with glucose formed conjugates of higher molecular weight, while no significant changes were observed in electrophoresis profiles of MBPI-GUH. Ultrasound-assisted wet heating Maillard reaction between MBPIs and glucose could be a promising way to improve functional properties of MBPIs. © 2015 Society of Chemical Industry.

Perceiving environmental structure from optical motion

NASA Technical Reports Server (NTRS)

Lappin, Joseph S.

1991-01-01

Generally speaking, one of the most important sources of optical information about environmental structure is known to be the deforming optical patterns produced by the movements of the observer (pilot) or environmental objects. As an observer moves through a rigid environment, the projected optical patterns of environmental objects are systematically transformed according to their orientations and positions in 3D space relative to those of the observer. The detailed characteristics of these deforming optical patterns carry information about the 3D structure of the objects and about their locations and orientations relative to those of the observer. The specific geometrical properties of moving images that may constitute visually detected information about the shapes and locations of environmental objects is examined.

Structural Analysis of Cubane-Type Iron Clusters

PubMed Central

Tan, Lay Ling; Holm, R. H.; Lee, Sonny C.

2013-01-01

The generalized cluster type [M4(μ3-Q)4Ln]x contains the cubane-type [M4Q4]z core unit that can approach, but typically deviates from, perfect Td symmetry. The geometric properties of this structure have been analyzed with reference to Td symmetry by a new protocol. Using coordinates of M and Q atoms, expressions have been derived for interatomic separations, bond angles, and volumes of tetrahedral core units (M4, Q4) and the total [M4Q4] core (as a tetracapped M4 tetrahedron). Values for structural parameters have been calculated from observed average values for a given cluster type. Comparison of calculated and observed values measures the extent of deviation of a given parameter from that required in an exact tetrahedral structure. The procedure has been applied to the structures of over 130 clusters containing [Fe4Q4] (Q = S2−, Se2−, Te2−, [NPR3]−, [NR]2−) units, of which synthetic and biological sulfide-bridged clusters constitute the largest subset. General structural features and trends in structural parameters are identified and summarized. An extensive database of structural properties (distances, angles, volumes) has been compiled in Supporting Information. PMID:24072952

Structural Analysis of Cubane-Type Iron Clusters.

PubMed

Tan, Lay Ling; Holm, R H; Lee, Sonny C

2013-07-13

The generalized cluster type [M 4 (μ 3 -Q) 4 L n ] x contains the cubane-type [M 4 Q 4 ] z core unit that can approach, but typically deviates from, perfect T d symmetry. The geometric properties of this structure have been analyzed with reference to T d symmetry by a new protocol. Using coordinates of M and Q atoms, expressions have been derived for interatomic separations, bond angles, and volumes of tetrahedral core units (M 4 , Q 4 ) and the total [M 4 Q 4 ] core (as a tetracapped M 4 tetrahedron). Values for structural parameters have been calculated from observed average values for a given cluster type. Comparison of calculated and observed values measures the extent of deviation of a given parameter from that required in an exact tetrahedral structure. The procedure has been applied to the structures of over 130 clusters containing [Fe 4 Q 4 ] (Q = S 2- , Se 2- , Te 2- , [NPR 3 ] - , [NR] 2- ) units, of which synthetic and biological sulfide-bridged clusters constitute the largest subset. General structural features and trends in structural parameters are identified and summarized. An extensive database of structural properties (distances, angles, volumes) has been compiled in Supporting Information.

Emergence of scale-free close-knit friendship structure in online social networks.

PubMed

Cui, Ai-Xiang; Zhang, Zi-Ke; Tang, Ming; Hui, Pak Ming; Fu, Yan

2012-01-01

Although the structural properties of online social networks have attracted much attention, the properties of the close-knit friendship structures remain an important question. Here, we mainly focus on how these mesoscale structures are affected by the local and global structural properties. Analyzing the data of four large-scale online social networks reveals several common structural properties. It is found that not only the local structures given by the indegree, outdegree, and reciprocal degree distributions follow a similar scaling behavior, the mesoscale structures represented by the distributions of close-knit friendship structures also exhibit a similar scaling law. The degree correlation is very weak over a wide range of the degrees. We propose a simple directed network model that captures the observed properties. The model incorporates two mechanisms: reciprocation and preferential attachment. Through rate equation analysis of our model, the local-scale and mesoscale structural properties are derived. In the local-scale, the same scaling behavior of indegree and outdegree distributions stems from indegree and outdegree of nodes both growing as the same function of the introduction time, and the reciprocal degree distribution also shows the same power-law due to the linear relationship between the reciprocal degree and in/outdegree of nodes. In the mesoscale, the distributions of four closed triples representing close-knit friendship structures are found to exhibit identical power-laws, a behavior attributed to the negligible degree correlations. Intriguingly, all the power-law exponents of the distributions in the local-scale and mesoscale depend only on one global parameter, the mean in/outdegree, while both the mean in/outdegree and the reciprocity together determine the ratio of the reciprocal degree of a node to its in/outdegree. Structural properties of numerical simulated networks are analyzed and compared with each of the four real networks. This work helps understand the interplay between structures on different scales in online social networks.

Emergence of Scale-Free Close-Knit Friendship Structure in Online Social Networks

PubMed Central

Cui, Ai-Xiang; Zhang, Zi-Ke; Tang, Ming; Hui, Pak Ming; Fu, Yan

2012-01-01

Although the structural properties of online social networks have attracted much attention, the properties of the close-knit friendship structures remain an important question. Here, we mainly focus on how these mesoscale structures are affected by the local and global structural properties. Analyzing the data of four large-scale online social networks reveals several common structural properties. It is found that not only the local structures given by the indegree, outdegree, and reciprocal degree distributions follow a similar scaling behavior, the mesoscale structures represented by the distributions of close-knit friendship structures also exhibit a similar scaling law. The degree correlation is very weak over a wide range of the degrees. We propose a simple directed network model that captures the observed properties. The model incorporates two mechanisms: reciprocation and preferential attachment. Through rate equation analysis of our model, the local-scale and mesoscale structural properties are derived. In the local-scale, the same scaling behavior of indegree and outdegree distributions stems from indegree and outdegree of nodes both growing as the same function of the introduction time, and the reciprocal degree distribution also shows the same power-law due to the linear relationship between the reciprocal degree and in/outdegree of nodes. In the mesoscale, the distributions of four closed triples representing close-knit friendship structures are found to exhibit identical power-laws, a behavior attributed to the negligible degree correlations. Intriguingly, all the power-law exponents of the distributions in the local-scale and mesoscale depend only on one global parameter, the mean in/outdegree, while both the mean in/outdegree and the reciprocity together determine the ratio of the reciprocal degree of a node to its in/outdegree. Structural properties of numerical simulated networks are analyzed and compared with each of the four real networks. This work helps understand the interplay between structures on different scales in online social networks. PMID:23272067

Proton-Induced Conductivity Enhancement in AlGaN/GaN HEMT Devices

NASA Astrophysics Data System (ADS)

Lee, In Hak; Lee, Chul; Choi, Byoung Ki; Yun, Yeseul; Chang, Young Jun; Jang, Seung Yup

2018-04-01

We investigated the influence of proton irradiation on the AlGaN/GaN high-electron-mobility transistor (HEMT) devices. Unlike previous studies on the degradation behavior upon proton irradiation, we observed improvements in their electrical conductivity and carrier concentration of up to 25% for the optimal condition. As we increased the proton dose, the carrier concentration and the mobility showed a gradual increase and decrease, respectively. From the photoluminescence measurements, we observed a reduction in the near-band-edge peak of GaN ( 366 nm), which correlate on the observed electrical properties. However, neither the Raman nor the X-ray diffraction analysis showed any changes, implying a negligible influence of protons on the crystal structures. We demonstrated that high-energy proton irradiation could be utilized to modify the transport properties of HEMT devices without damaging their crystal structures.

Dissertation Award in Nuclear Physics Recipient: Astromaterials in Neutron Stars

NASA Astrophysics Data System (ADS)

Caplan, Matthew E.

2017-09-01

Stars freeze. As they age and cool white dwarfs and neutron stars crystallize, with remarkable materials forming in their interiors. These `astromaterials' have structures similar to terrestrial crystalline solids and liquid crystals, though they are over a trillion times denser. Notably, because their material properties affect the observable properties of the star, astromaterials must be understood to interpret observations of neutron stars. Thus, astromaterial science can be thought of as an interdisciplinary field, using techniques from material science to study nuclear physics systems with astrophysical relevance. In this talk, I will discuss recent results from simulations of astromaterials and how we use these results to interpret observations of neutron stars in X-ray binaries. In addition, I will discuss how nuclear pasta, in neutron stars, forms structures remarkably similar to biophysical membranes seen in living organisms.

Dynamic fragmentation of cellular, ice-templated alumina scaffolds

DOE PAGES

Tan, Yi Ming; Cervantes, Octavio; Nam, SeanWoo; ...

2016-01-08

Here, we examine the dynamic failure of ice-templated freeze-cast alumina scaffolds that are being considered as biomimetic hierarchical structures. Three porosities of alumina freeze-cast structures were fabricated, and a systematic variation in microstructural properties such as lamellar width and thickness was observed with changing porosity. Dynamic impact tests were performed in a light-gas gun to examine the failure properties of these materials under high strain-rate loading. Nearly complete delamination was observed following impact, along with characteristic cracking across the lamellar width. Average fragment size decreases with increasing porosity, and a theoretical model was developed to explain this behavior based onmore » microstructural changes. Using an energy balance between kinetic, strain, and surface energies within a single lamella, we are able to accurately predict the characteristic fragment size using only standard material properties of bulk alumina.« less

Synthesis and characterization of nickel oxide particulate annealed at different temperatures

NASA Astrophysics Data System (ADS)

Sharma, Khem Raj; Thakur, Shilpa; Negi, N. S.

2018-04-01

Nickel oxide has been synthesized by solution combustion technique. The nickel oxide ceramic was annealed at 600°C and 1000°C for 2 hours. Structural, electrical, dielectric and magnetic properties were analyzed which are strongly dependent upon the synthesis method. Structural properties were examined by X-ray diffractometer (XRD), which confirmed the purity and cubic phase of nickel oxide. XRD data reveals the increase in crystallite size and decrease in full width half maximum (FWHM) as the annealing temperature increases. Electrical conductivity is found to increase from 10-6 to 10-5 (Ω-1cm-1) after annealing. Dielectric constant is observed to increase from 26 to 175 when the annealing temperature is increased from 600°C to 1000°C. Low value of coercive field is found which shows weak ferromagnetic behavior of NiO. It is observed that all the properties of NiO particulate improve with increasing annealing temperature.

Magneto-optical properties of biogenic photonic crystals in algae

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwasaka, M., E-mail: iwasaka-m@umin.ac.jp; Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi 332-0012 Saitama; Mizukawa, Y.

In the present study, the effects of strong static magnetic fields on the structural colors of the cell covering crystals on a microalgae, coccolithophore, were investigated. The coccolithophore, Emiliania huxleyi, generates a precise assembly of calcite crystals called coccoliths by biomineralization. The coccoliths attached to the cells exhibited structural colors under side light illumination, and the colors underwent dynamic transitions when the magnetic fields were changed between 0 T and 5 T, probably due to diamagnetically induced changes of their inclination under the magnetic fields. The specific light-scattering property of individual coccoliths separated from the cells was also observed. Light scattering frommore » a condensed suspension of coccoliths drastically decreased when magnetic fields of more than 4 T were applied parallel to the direction of observation. The magnetically aligned cell-covering crystals of the coccolithophores exhibited the properties of both a photonic crystal and a minimum micromirror.« less

Corn steep liquor as a nutritional source for biocementation and its impact on concrete structural properties.

PubMed

Joshi, Sumit; Goyal, Shweta; Reddy, M Sudhakara

2018-05-28

Microbial-induced carbonate precipitation (MICP) has a potential to improve the durability properties and remediate cracks in concrete. In the present study, the main emphasis is placed upon replacing the expensive laboratory nutrient broth (NB) with corn steep liquor (CSL), an industrial by-product, as an alternate nutrient medium during biocementation. The influence of organic nutrients (carbon and nitrogen content) of CSL and NB on the chemical and structural properties of concrete structures is studied. It has been observed that cement-setting properties were unaffected by CSL organic content, while NB medium influenced it. Carbon and nitrogen content in concrete structures was significantly lower in CSL-treated specimens than in NB-treated specimens. Decreased permeability and increased compressive strength were reported when NB is replaced with CSL in bacteria-treated specimens. The present study results suggest that CSL can be used as a replacement growth medium for MICP technology at commercial scale.

In-situ electrical, mechanical and electrochemical characterizations of one-dimensional nanostructures

NASA Astrophysics Data System (ADS)

Mir Shah Ghassemi, Seyyed Hessam

One-dimensional nanostructures initiated new aspects to the materials applications due to their superior properties compared to the bulk materials. Properties of nanostructures have been characterized by many techniques and used for various device applications. However, simultaneous correlation between the physical and structural properties of these nanomaterials has not been widely investigated. Therefore, it is necessary to perform in-situ study on the physical and structural properties of nanomaterials to understand their relation. In this work, we will use a unique instrument to perform real time atomic force microscopy (AFM) and scanning tunneling microscopy (STM) of nanomaterials inside a transmission electron microscopy (TEM) system. This AFM/STM-TEM system is used to investigate the mechanical, electrical, and electrochemical properties of boron nitride nanotubes (BNNTs) and Silicon nanorods (SiNRs). BNNTs are one of the subjects of this PhD research due to their comparable, and in some cases superior, properties compared to carbon nanotubes. Therefore, to further develop their applications, it is required to investigate these characteristics in atomic level. In this research, the mechanical properties of multi-walled BNNTs were first studied. Several tests were designed to study and characterize their real-time deformation behavior to the applied force. Observations revealed that BNNTs possess highly flexible structures under applied force. Detailed studies were then conducted to understand the bending mechanism of the BNNTs. Formations of reversible ripples were observed and described in terms of thermodynamic energy of the system. Fracture failure of BNNTs were initiated at the outermost walls and characterized to be brittle. Second, the electrical properties of individual BNNTs were studied. Results showed that the bandgap and electronic properties of BNNTs can be engineered by means of applied strain. It was found that the conductivity, electron concentration and carrier mobility of BNNTs can be tuned as a function of applied stress. Although, BNNTs are considered to be candidate for field emission applications, observations revealed that their properties degrade upon cycles of emissions. Results showed that due to the high emission current density, the temperature of the sample was increased and reached to the decomposition temperature at which the B-N bonds start to break. In addition to BNNTs, we have also performed in-situ study on the electrochemical properties of silicon nanorods (SiNRs). Specifically, lithiation and delithiation of SiNRs were studied by our STM-TEM system. Our observations showed the direct formation of Li22Si 5 phases as a result of lithium intercalation. Radial expansion of the anode materials were observed and characterized in terms of size-scale. Later, the formation and growth of the lithium fibers on the surface of the anode materials were observed and studied. Results revealed the formation of lithium islands inside the ionic liquid electrolyte which then grew as Li dendrite toward the cathode material.

Investigation of structural, ferroelectric, piezoelectric and dielectric properties of Ba0.92Ca0.08TiO3-BaTi0.96Zr0.04O3 lead-free electroceramics

NASA Astrophysics Data System (ADS)

Keswani, Bhavna C.; Patil, S. I.; Kolekar, Y. D.

2018-04-01

Lead free ferroelectric with composition 0.55Ba0.92Ca0.08TiO3-0.45BaTi0.96Zr0.04O3 (BCT8-BZT4) was synthesized by solid state reaction method and investigated their structural, ferroelectric, piezoelectric and dielectric properties. X-ray diffraction analysis shows that BCT8-BZT4 ceramic possess both tetragonal (space group P4mm) and orthorhombic (space group Amm2) crystal structure which was further confirmed from Raman spectra spectroscopy. The micronized grains were observed from scanning electron micrographs while the presence of polarization-electric field hysteresis loop confirms ferroelectric nature of BCT8-BZT4 ceramic. Higher values of maximum polarization (Pmax = 22.27 μC/cm2), remnant polarization (Pr = 11.61 μC/cm2), coercive electric field (Ec = 4.77 kV/cm) and direct piezoelectric coefficient (d33) approximately 185 pC/N were observed. The real part of dielectric constant with frequency shows the usual dielectric dispersion behaviour at RT. The observed properties show that the lead free BCT8-BZT4 ceramic is suitable for ferroelectric memory device, piezoelectric sensor, capacitor, etc. applications.

Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

NASA Astrophysics Data System (ADS)

Zhang, Fabi; Li, Haiou; Cui, Yi-Tao; Li, Guo-Ling; Guo, Qixin

2018-04-01

The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

ALMA Observations of a Quiescent Molecular Cloud in the Large Magellanic Cloud

NASA Astrophysics Data System (ADS)

Wong, Tony; Hughes, Annie; Tokuda, Kazuki; Indebetouw, Rémy; Bernard, Jean-Philippe; Onishi, Toshikazu; Wojciechowski, Evan; Bandurski, Jeffrey B.; Kawamura, Akiko; Roman-Duval, Julia; Cao, Yixian; Chen, C.-H. Rosie; Chu, You-hua; Cui, Chaoyue; Fukui, Yasuo; Montier, Ludovic; Muller, Erik; Ott, Juergen; Paradis, Deborah; Pineda, Jorge L.; Rosolowsky, Erik; Sewiło, Marta

2017-12-01

We present high-resolution (subparsec) observations of a giant molecular cloud in the nearest star-forming galaxy, the Large Magellanic Cloud. ALMA Band 6 observations trace the bulk of the molecular gas in 12CO(2-1) and the high column density regions in 13CO(2-1). Our target is a quiescent cloud (PGCC G282.98-32.40, which we refer to as the “Planck cold cloud” or PCC) in the southern outskirts of the galaxy where star formation activity is very low and largely confined to one location. We decompose the cloud into structures using a dendrogram and apply an identical analysis to matched-resolution cubes of the 30 Doradus molecular cloud (located near intense star formation) for comparison. Structures in the PCC exhibit roughly 10 times lower surface density and five times lower velocity dispersion than comparably sized structures in 30 Dor, underscoring the non-universality of molecular cloud properties. In both clouds, structures with relatively higher surface density lie closer to simple virial equilibrium, whereas lower surface-density structures tend to exhibit supervirial line widths. In the PCC, relatively high line widths are found in the vicinity of an infrared source whose properties are consistent with a luminous young stellar object. More generally, we find that the smallest resolved structures (“leaves”) of the dendrogram span close to the full range of line widths observed across all scales. As a result, while the bulk of the kinetic energy is found on the largest scales, the small-scale energetics tend to be dominated by only a few structures, leading to substantial scatter in observed size-line-width relationships.

Metastable Structural Phases of Metals in Columns IVB to Vib, and Rows 4 TO 6 OF the Periodic Table

NASA Astrophysics Data System (ADS)

Nnolim, Neme; Tyson, Trevor

2002-03-01

Total energy calculations as a function of strain along the <001> direction have been carried out for the bcc metals V, Nb, Ta, Cr, Mo and W, and the hcp metals Ti, Zr and Hf, all in the block of the periodic table defined by columns IVB to VIB, and rows 4 to 6. Since strain along the <001> direction corresponds to variation of the c lattice constant with respect to the a lattice constant, the total energy per unit cell has being calculated as a function of the c/a ratio. The highly accurate FP-LAPW (Full Potential Linearized Augmented Plane Wave) band structure method in the DFT (Density Functional Theory) formalism has been used for the calculations. In all cases except for the hcp column IVB elements, Zr, Hf and Ti, a metastable state was predicted from the calculations. Electronic properties are computed for all structures and are correlated with electrical and mechanical properties of metastable phases that have been observed experimentally. Properties of metastable phases, which were predicted in this work but which as of yet have not been observed experimentally, have also been predicted. Special attention is paid to the phases of tantalum and calculated transport properties are used to show that the observed high resistivity of the beta phase of tantalum relative to the alpha bcc phase cannot be explained solely by simple tetragonal distortions of the bcc phase.

Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation.

PubMed

Dutta, Achintya Kumar; Dar, Manzoor; Vaval, Nayana; Pal, Sourav

2014-02-27

We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOX chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier. Further, the analysis of the potential energy surface in FSMRCC method indicates a well-behaved minima, contrary to the shallow minima predicted by the single-reference coupled-cluster method. The harmonic force field analysis, of various possible isomers of peroxo nitrate also reveals that only the trans structure leads to the experimentally observed IR peak at 1840 cm(-1). The present study highlights the critical importance of nondynamic correlation in predicting the structure and properties of high-energy stratospheric NOx radicals.

Dislocation structures and electrical conduction properties of low angle tilt grain boundaries in LiNbO{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Furushima, Yuho; Nakamura, Atsutomo, E-mail: nakamura@numse.nagoya-u.ac.jp; Toyoura, Kazuaki

Dislocations in crystalline materials constitute unique, atomic-scale, one-dimensional structure and have a potential to induce peculiar physical properties that are not found in the bulk. In this study, we fabricated LiNbO{sub 3} bicrystals with low angle tilt grain boundaries and investigated the relationship between the atomic structure of the boundary dislocations and their electrical conduction properties. Observations by using transmission electron microscopy revealed that dislocation structures at the (0001) low angle tilt grain boundaries depend on the tilt angle of the boundaries. Specifically, the characteristic dislocation structures with a large Burgers vector were formed in the boundary with the tiltmore » angle of 2°. It is noteworthy that only the grain boundary of 2° exhibits distinct electrical conductivity after reduction treatment, although LiNbO{sub 3} is originally insulating. This unique electrical conductivity is suggested to be due to the characteristic dislocation structures with a large Burgers vector.« less

Structural and magnetic properties of non-stoichiometric Fe1-xO thin films

NASA Astrophysics Data System (ADS)

Muhammed Shameem P., V.; Mekala, Laxman; Kumar, M. Senthil

2018-04-01

The Fe1-xO thin films of various iron deficiencies (x) have been grown at ambient temperature by reactive dc magnetron sputtering technique and their structural and magnetic properties are studied. The structural study shows that the films are polycrystalline. As the iron content (1-x) varies from 0.924 to 0.855 a clear consistent change in the preferential orientation of the grains from [111] to the [200] direction is observed. The magnetization measurements show the possible existence of small superparamagnetic defect clusters at 300 K and large spinel-type defect clusters below the Neel temperature.

The structural, electronic and spectroscopic properties of 4FPBAPE molecule: Experimental and theoretical study

NASA Astrophysics Data System (ADS)

Tanış, Emine; Babur Sas, Emine; Kurban, Mustafa; Kurt, Mustafa

2018-02-01

The experimental and theoretical study of 4-Formyl Phenyl Boronic Acid Pinacol Ester (4FPBAPE) molecule were performed in this work. 1H, 13C NMR and UV-Vis spectra were tested in dimethyl sulfoxide (DMSO). The structural, spectroscopic properties and energies of 4FPBAPE were obtained for two potential conformers from density functional theory (DFT) with B3LYP/6-311G (d, p) and CAM-B3LYP/6-311G (d, p) basis sets. The optimal geometry of those structures was obtained according to the position of oxygen atom upon determining the scan coordinates for each conformation. The most stable conformer was found as the A2 form. The fundamental vibrations were determined based on optimized structure in terms of total energy distribution. Electronic properties such as oscillator strength, wavelength, excitation energy, HOMO, LUMO and molecular electrostatic potential and structural properties such as radial distribution functions (RDF) and probability density depending on coordination number are presented. Theoretical results of 4-FPBAPE spectra were found to be compatible with observed spectra.

On the Magnetism and Dynamics of Prominence Legs Hosting Tornadoes

NASA Astrophysics Data System (ADS)

Martínez González, M. J.; Asensio Ramos, A.; Arregui, I.; Collados, M.; Beck, C.; de la Cruz Rodríguez, J.

2016-07-01

Solar tornadoes are dark vertical filamentary structures observed in the extreme ultraviolet associated with prominence legs and filament barbs. Their true nature and relationship to prominences requires an understanding of their magnetic structure and dynamic properties. Recently, a controversy has arisen: is the magnetic field organized forming vertical, helical structures or is it dominantly horizontal? And concerning their dynamics, are tornadoes really rotating or is it just a visual illusion? Here we analyze four consecutive spectro-polarimetric scans of a prominence hosting tornadoes on its legs, which helps us shed some light on their magnetic and dynamical properties. We show that the magnetic field is very smooth in all the prominence, which is probably an intrinsic property of the coronal field. The prominence legs have vertical helical fields that show slow temporal variation that is probably related to the motion of the fibrils. Concerning the dynamics, we argue that (1) if rotation exists, it is intermittent, lasting no more than one hour, and (2) the observed velocity pattern is also consistent with an oscillatory velocity pattern (waves).

Electric modulation of conduction in multiferroic Ni-doped GaFeO3 ceramics

NASA Astrophysics Data System (ADS)

Ghani, Awais; Yang, Sen; Rajput, S. S.; Ahmed, S.; Murtaza, Adil; Zhou, Chao; Yu, Zhonghai; Zhang, Yin; Song, Xiaoping; Ren, Xiaobing

2018-06-01

In this work, the effects of Ni substitution on the electrical leakage and multiferroic properties of GaFeO3 were examined. Structural analysis of grown ceramics using x-ray diffraction and Raman shows that all ceramics have pure phases with an orthorhombic structure and space group. Ni substitutions slightly modify lattice parameters and induce lattice distortion within the same crystalline structure. It is observed that with increasing Ni-content up to 0.10, the magnetic transition temperature () increases from 196 K to 407 K. Ni-doped samples showed better ferroelectric properties and a drastic reduction in leakage current (~three orders of magnitude) at room temperature. Enhanced characteristics behavior is observed for 10% Ni substitution (GaFe0.9Ni0.1O3) and higher substitution leads to deterioration of properties with a larger leakage current. It is proposed that the role of Ni substitution can reduce hopping between Fe+3 and Fe+2 as well as suppressing the oxygen vacancies. This work would open new possibilities for integrating polycrystalline GaFeO3 at room temperature for magnetoelectric applications.

Consequences of cavity size and chemical environment on the adsorption properties of isoreticular metal-organic frameworks: an inverse gas chromatography study.

PubMed

Gutiérrez, Inés; Díaz, Eva; Vega, Aurelio; Ordóñez, Salvador

2013-01-25

The role of the structure of three isoreticular metal-organic frameworks (IRMOFs) on their adsorption behavior has been studied in this work, selecting different kinds of volatile organic compounds (VOCs) as adsorbates (alkanes, alkenes, cycloalkanes, aromatics and chlorinated). For this purpose, three samples (IRMOF-1, IRMOF-8 and IRMOF-10) with cubic structure and without functionalities on the organic linkers were synthesized. Adsorption capacities at infinite dilution were derived from the adsorption isotherms, whereas thermodynamic properties have been determined from chromatographic retention volume. The capacity and the strength of adsorption were strongly influenced by the adsorbate size. This effect is especially relevant for n-alkanes adsorption, indicating the key role of the cavity size on this phenomenon, and hence the importance of the IRMOF structural properties. A different behavior has been observed for the polar compounds, where an enhancement on the specificity of the adsorption with the π-electron rich regions was observed. This fact suggests the specific interaction of these molecules with the organic linkers of the IRMOFs. Copyright © 2012 Elsevier B.V. All rights reserved.

ON THE MAGNETISM AND DYNAMICS OF PROMINENCE LEGS HOSTING TORNADOES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martínez González, M. J.; Ramos, A. Asensio; Arregui, I.

2016-07-10

Solar tornadoes are dark vertical filamentary structures observed in the extreme ultraviolet associated with prominence legs and filament barbs. Their true nature and relationship to prominences requires an understanding of their magnetic structure and dynamic properties. Recently, a controversy has arisen: is the magnetic field organized forming vertical, helical structures or is it dominantly horizontal? And concerning their dynamics, are tornadoes really rotating or is it just a visual illusion? Here we analyze four consecutive spectro-polarimetric scans of a prominence hosting tornadoes on its legs, which helps us shed some light on their magnetic and dynamical properties. We show thatmore » the magnetic field is very smooth in all the prominence, which is probably an intrinsic property of the coronal field. The prominence legs have vertical helical fields that show slow temporal variation that is probably related to the motion of the fibrils. Concerning the dynamics, we argue that (1) if rotation exists, it is intermittent, lasting no more than one hour, and (2) the observed velocity pattern is also consistent with an oscillatory velocity pattern (waves).« less

Structural and optical properties of nanocrystalline ZnS and ZnS:Al films

NASA Astrophysics Data System (ADS)

Hurma, T.

2018-06-01

ZnS and ZnS:Al films have been deposited by ultrasonic spray pyrolysis (USP) method. Three different atomic ratios of aluminium were used as the dopant element. The effects of aluminum incorporation on structural and optical properties of the ZnS films have been investigated. The XRD analysis showed that the cubic structure of the ZnS was not much affected by Al doping. The crystal size of the films decreased, as the Al ratio increased. Al incorporation caused an increase in the intensity of ZnS films' peaks observed in Raman spectra and nearly symmetrical peaks were observed. Al doping caused a small decrease in optical band gap of the ZnS film. The coating of ZnS:Al films on the surface was quite good and there were not any deformation in their crystallization levels. Reflectance values of films are about 5% in the visible region but a little decrease is seen with aluminum doping. We can say that Al doping tends to improve the optical properties of the ZnS:Al films when compared with the undoped ZnS.

Loading mode dependent effective properties of octet-truss lattice structures using 3D-printing

NASA Astrophysics Data System (ADS)

Challapalli, Adithya

Cellular materials, often called lattice materials, are increasingly receiving attention for their ultralight structures with high specific strength, excellent impact absorption, acoustic insulation, heat dissipation media and compact heat exchangers. In alignment with emerging additive manufacturing (AM) technology, realization of the structural applications of the lattice materials appears to be becoming faster. Considering the direction dependent material properties of the products with AM, by directionally dependent printing resolution, effective moduli of lattice structures appear to be directionally dependent. In this paper, a constitutive model of a lattice structure, which is an octet-truss with a base material having an orthotropic material property considering AM is developed. In a case study, polyjet based 3D printing material having an orthotropic property with a 9% difference in the principal direction provides difference in the axial and shear moduli in the octet-truss by 2.3 and 4.6%. Experimental validation for the effective properties of a 3D printed octet-truss is done for uniaxial tension and compression test. The theoretical value based on the micro-buckling of truss member are used to estimate the failure strength. Modulus value appears a little overestimate compared with the experiment. Finite element (FE) simulations for uniaxial compression and tension of octettruss lattice materials are conducted. New effective properties for the octet-truss lattice structure are developed considering the observed behavior of the octet-truss structure under macroscopic compression and tension trough simulations.

An Event-Structural Account of Passive Acquisition in Korean

ERIC Educational Resources Information Center

Lee, Kwee-Ock; Lee, Youngjoo

2008-01-01

Some peculiar properties of children's passives have long been observed in various languages such as an asymmetry between actional passives and nonactional passives. These peculiarities have been accounted for under the hypothesis that children's early passives are adjectival, and as such exhibit properties of adjectival passives in adult grammar.…

Gas Dynamics in Planetary Nebulae: From Macro-structures to FLIERs

NASA Astrophysics Data System (ADS)

Perinotto, Mario

2000-10-01

Purpose of this paper is to clarify how Planetary Nebulae (PNe) are very interesting laboratories to study cosmic gas dynamics. I first recall the history of PNe which are generated from low and intermediate mass stars through successive mass loss processes starting in the Reg Giant phase of evolution and continuing also after the termination of the pulsed AGB phase, where most of the nebular mass is believed to be ejected. The correponding stellar winds are the ingredients of the nebula. Their initial properties and subsequent mutual interactions, under the action of the evolving stellar radiation field, are responsible for the properties of the nebula. The observed structures of PNe are considered in detail. Larger scale macroscopic structures (MACS) are examined separately from quite smaller scale microscopic structures (MICS). The formation of MACS, at least in cases of round to moderately elliptical PNe, is shown to be reasonably well understood in terms of existing hydrodynamical models. Considering the kinematical behaviour, MICS can be separated into FLIERs (Fast Low Ionization Emitting Regions) and SLOWERs (slowly moving). Attention is focussed on FLIERs and on the proposed mechanisms to interpret them. Recent observations with the Hubble Space Telescope have provided us with a wealth of detailed (subarcsec) information on the nebular structures. The inner structure of FLIERs is here illustrated to consist of substructures of various shapes with an high degree of individually from object to object, also within the same PN. These new data call for deeper thoretical efforts to solve the problems of cosmic gas dynamics, posed by their observed properties. An ample account is given of the most relevant original works, in an effort to allow the non specialist reader to quickly become acquainted with the status of art in the various aspects of the subject.

Correlation between temperature variations of static and dynamic properties in glass-forming liquids

DOE PAGES

Voylov, D. N.; Griffin, P. J.; Mercado, B.; ...

2016-12-29

In this detailed analysis of the static structure factor S(Q) in several glass-forming liquids we show that the temperature variations of the width of the main diffraction peak Q(T ) correlate with the fragility of these liquids. Our observation suggests a direct connection between rather subtle structural changes and sharp slowing down of structural relaxation in glass-forming liquids. We also show that this observation can be rationalized using the Adam-Gibbs approach, through a connection between temperature variations of structural correlation length, lc 2 /Q, and the size of cooperatively rearranging regions.

Effect of fibril shape on adhesive properties

NASA Astrophysics Data System (ADS)

Soto, Daniel; Hill, Ginel; Parness, Aaron; Esparza, Noé; Cutkosky, Mark; Kenny, Tom

2010-08-01

Research into the gecko's adhesive system revealed a unique architecture for adhesives using tiny hairs. By using a stiff material (β-keratin) to create a highly structured adhesive, the gecko's system demonstrates properties not seen in traditional pressure-sensitive adhesives which use a soft, unstructured planar layer. In contrast to pressure sensitive adhesives, the gecko adhesive displays frictional adhesion, in which increased shear force allows it to withstand higher normal loads. Synthetic fibrillar adhesives have been fabricated but not all demonstrate this frictional adhesion property. Here we report the dual-axis force testing of single silicone rubber pillars from synthetic adhesive arrays. We find that the shape of the adhesive pillar dictates whether frictional adhesion or pressure-sensitive behavior is observed. This work suggests that both types of behavior can be achieved with structures much larger than gecko terminal structures. It also indicates that subtle differences in the shape of these pillars can significantly influence their properties.

Effect of copper doping sol-gel ZnO thin films: physical properties and sensitivity to ethanol vapor

NASA Astrophysics Data System (ADS)

Boukaous, Chahra; Benhaoua, Boubaker; Telia, Azzedine; Ghanem, Salah

2017-10-01

In the present paper, the effect of copper doping ZnO thin films, deposited using a sol-gel dip-coating technique, on the structural, optical and ethanol vapor-sensing properties, was investigated. The range of the doping content is 0 wt. %-5 wt. % Cu/Zn and the films’ properties were studied using x-ray diffraction, scanning electron microscopy and a UV-vis spectrophotometer. The obtained results indicated that undoped and copper-doped zinc oxide thin films have polycrystalline wurtzite structure with (1 0 1) preferred orientation. All samples have a smooth and dense structure free of pinholes. A decrease in the band gap with Cu concentration in the ZnO network was observed. The influence of the dopant on ethanol vapor-sensing properties shows an increase in the film sensitivity to the ethanol vapor within the Cu concentration.

First principles study on structural, lattice dynamical and thermal properties of BaCeO3

NASA Astrophysics Data System (ADS)

Zhang, Qingping; Ding, Jinwen; He, Min

2017-09-01

BaCeO3 exhibits impressive application potentials on solid oxide fuel cell electrolyte, hydrogen separation membrane and photocatalyst, owing to its unique ionic and electronic properties. In this article, the electronic structures, phonon spectra and thermal properties of BaCeO3 in orthorhombic, rhombohedral and cubic phases are investigated based on density functional theory. Comparisons with reported experimental results are also presented. The calculation shows that orthorhombic structure is both energetically and dynamically stable under ground state, which is supported by the experiment. Moreover, charge transfer between cations and anions accompanied with phase transition is observed, which is responsible for the softened phonon modes in rhombohedral and cubic phases. Besides, thermal properties are discussed. Oxygen atoms contribute most to the specific heat. The calculated entropy and specific heat at constant pressure fit well with the experimental ones within the measured temperature range.

Tunable electronic properties of CdS nanoribbons by edge effects

NASA Astrophysics Data System (ADS)

Ma, Ruican; Zhao, Hui; Wang, Yaping; Ji, Weixiao; Li, Ping

2017-08-01

Based on first-principles calculations, the electronic properties of Cadmium Sulfide nanoribbons (CdSNRs) have been studied with both zigzag (Z-CdSNRs) and armchair shaped edges (A-CdSNRs). For Z-CdSNRs, the structures with both edges decorated by H or F atoms show half-metallic or semiconducting properties, respectively. Only S-dominated edge decorated by H/F atoms, Z-CdSNRs show metallic properties. Only Cd-dominated edge is hydrogenated, Z-CdSNRs can be observed from a metallic to half metallic transition. But instead of fluorinated, the structures show the metallic properties. However, either edge or both edges are hydrogenated or fluorinated, A-CdSNRs exhibit semiconducting properties, and their band gap decreases monotonically with increasing ribbons width (n). When a stress is applied on the half-hydrogenated A-CdSNRs, their band gap displays a steady decrease trend. Moreover, A-CdSNRs are more stable than Z-CdSNRs, while the hydrogenated systems are more stable than fluorinated systems. The results show that different structures of CdSNRs decorated with the different edges can play different nature as semiconducting - half-metallic - metallic properties. The research has important theoretical significance for the electronic design and assembly of CdSNRs structures, and provides a new perspective for the potential application of CdSNRs in nanoelectronics.

The enhancing performance of (Ba{sub 0.85}Ca{sub 0.15}Ti{sub 0.90}Zr{sub 0.10})O{sub 3} ceramics by tuning anatase–rutile phase structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chao, Xiaolian, E-mail: chaoxl@snnu.edu.cn; Wang, Juanjuan; Wang, Zhongming

2016-04-15

Graphical abstract: Titanium dioxide (TiO{sub 2}) with different phase structure had interesting influence on the crystal structure, microstructure, the sintering temperature and electrical properties. - Highlights: • BCZT ceramics were prepared using either anatase or rutile structures as Ti source. • Orthorhombic and tetragonal mixture structure was exhibited by adjusting Ti source. • The optimal properties were observed in BCZT ceramics with rutile titanium dioxide. - Abstract: To research effect of raw materials TiO{sub 2} with the phase structures on the crystal structure, microstructure and electrical properties of lead-free (Ba{sub 0.85}Ca{sub 0.15})(Ti{sub 0.90}Zr{sub 0.10})O{sub 3} (BCZT) ceramics, BCZT ceramics usingmore » either anatase or rutile as Ti source were synthesized by solid-state reaction. Titanium dioxide (TiO{sub 2}) with anatase/rutile phase structures had interesting influence on the crystal structure, microstructure and the sintering temperature by the X-ray diffraction and SEM, which also played an important role in improved electrical properties. The BCZT ceramics with rutile titanium dioxide demonstrated optimal piezoelectric and dielectric properties: d{sub 33} = 590 pC/N, k{sub p} = 0.46, ε{sub r} = 2810, tanδ = 0.014 and T{sub c} = 91 °C, which was obviously superior to BCZT ceramics with anatase titanium dioxide.« less

Structural stability, electronic structure and mechanical properties of alkali gallium hydrides AGaH{sub 4} (A = Li, Na)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com; Manikandan, M.

2016-05-06

Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of alkali gallium hydrides AGaH{sub 4} (A = Li, Na) for three different crystal structures, namely tetragonal (P42{sub 1}c), tetragonal (P4{sub 2}/nmc) and monoclinic (P2{sub 1}/c). Among the considered structures, tetragonal (P42{sub 1}c) phase is found to be the most stable phase for these hydrides at normal pressure. A pressure induced structural phase transition from tetragonal (P42{sub 1}c) to tetragonal (P4{sub 2}/nmc) is observed. The electronic structure reveals that these hydrides are insulators. The calculated elastic constants indicate that these ternary imides are mechanically stablemore » at normal pressure.« less

Using the Properties of Broad Absorption Line Quasars to Illuminate Quasar Structure

NASA Astrophysics Data System (ADS)

Yong, Suk Yee; King, Anthea L.; Webster, Rachel L.; Bate, Nicholas F.; O'Dowd, Matthew J.; Labrie, Kathleen

2018-06-01

A key to understanding quasar unification paradigms is the emission properties of broad absorption line quasars (BALQs). The fact that only a small fraction of quasar spectra exhibit deep absorption troughs blueward of the broad permitted emission lines provides a crucial clue to the structure of quasar emitting regions. To learn whether it is possible to discriminate between the BALQ and non-BALQ populations given the observed spectral properties of a quasar, we employ two approaches: one based on statistical methods and the other supervised machine learning classification, applied to quasar samples from the Sloan Digital Sky Survey. The features explored include continuum and emission line properties, in particular the absolute magnitude, redshift, spectral index, line width, asymmetry, strength, and relative velocity offsets of high-ionisation C IV λ1549 and low-ionisation Mg II λ2798 lines. We consider a complete population of quasars, and assume that the statistical distributions of properties represent all angles where the quasar is viewed without obscuration. The distributions of the BALQ and non-BALQ sample properties show few significant differences. None of the observed continuum and emission line features are capable of differentiating between the two samples. Most published narrow disk-wind models are inconsistent with these observations, and an alternative disk-wind model is proposed. The key feature of the proposed model is a disk-wind filling a wide opening angle with multiple radial streams of dense clumps.

Association of Structural Global Brain Network Properties with Intelligence in Normal Aging

PubMed Central

Fischer, Florian U.; Wolf, Dominik; Scheurich, Armin; Fellgiebel, Andreas

2014-01-01

Higher general intelligence attenuates age-associated cognitive decline and the risk of dementia. Thus, intelligence has been associated with cognitive reserve or resilience in normal aging. Neurophysiologically, intelligence is considered as a complex capacity that is dependent on a global cognitive network rather than isolated brain areas. An association of structural as well as functional brain network characteristics with intelligence has already been reported in young adults. We investigated the relationship between global structural brain network properties, general intelligence and age in a group of 43 cognitively healthy elderly, age 60–85 years. Individuals were assessed cross-sectionally using Wechsler Adult Intelligence Scale-Revised (WAIS-R) and diffusion-tensor imaging. Structural brain networks were reconstructed individually using deterministic tractography, global network properties (global efficiency, mean shortest path length, and clustering coefficient) were determined by graph theory and correlated to intelligence scores within both age groups. Network properties were significantly correlated to age, whereas no significant correlation to WAIS-R was observed. However, in a subgroup of 15 individuals aged 75 and above, the network properties were significantly correlated to WAIS-R. Our findings suggest that general intelligence and global properties of structural brain networks may not be generally associated in cognitively healthy elderly. However, we provide first evidence of an association between global structural brain network properties and general intelligence in advanced elderly. Intelligence might be affected by age-associated network deterioration only if a certain threshold of structural degeneration is exceeded. Thus, age-associated brain structural changes seem to be partially compensated by the network and the range of this compensation might be a surrogate of cognitive reserve or brain resilience. PMID:24465994

Crystal structure, stability and spectroscopic properties of methane and CO2 hydrates.

PubMed

Martos-Villa, Ruben; Francisco-Márquez, Misaela; Mata, M Pilar; Sainz-Díaz, C Ignacio

2013-07-01

Methane hydrates are highly present in sea-floors and in other planets and their moons. Hence, these compounds are of great interest for environment, global climate change, energy resources, and Cosmochemistry. The knowledge of stability and physical-chemical properties of methane hydrate crystal structure is important for evaluating some new green becoming technologies such as, strategies to produce natural gas from marine methane hydrates and simultaneously store CO2 as hydrates. However, some aspects related with their stability, spectroscopic and other chemical-physical properties of both hydrates are not well understood yet. The structure and stability of crystal structure of methane and CO2 hydrates have been investigated by means of calculations with empirical interatomic potentials and quantum-mechanical methods based on Hartree-Fock and Density Functional Theory (DFT) approximations. Molecular Dynamic simulations have been also performed exploring different configurations reproducing the experimental crystallographic properties. Spectroscopic properties have also been studied. Frequency shifts of the main vibration modes were observed upon the formation of these hydrates, confirming that vibration stretching peaks of C-H at 2915cm(-1) and 2905cm(-1) are due to methane in small and large cages, respectively. Similar effect is observed in the CO2 clathrates. The guest-host binding energy in these clathrates calculated with different methods are compared and discussed in terms of adequacy of empirical potentials and DFT methods for describing the interactions between gas guest and the host water cage, proving an exothermic nature of methane and CO2 hydrates formation process. Copyright © 2013 Elsevier Inc. All rights reserved.

Structural and Luminescent property of Holmium doped Borate Glasses

NASA Astrophysics Data System (ADS)

Usharani, V. L.; Eraiah, B.

2018-02-01

Holmium doped Lithium Lead Borate glasses of different compositions were prepared by melt quenching technique. Fourier transform infrared investigations on lithium lead borate glasses have been made to study the local order and vibrations of atoms in the glass network and it contains mainly BO3 and BO4 structural units. Photoluminescence techniques were employed to investigate the luminescent property of these glasses excited at 451nm. Blue emission have been observed from the transition 495 (5F3 → 5I8).

On some properties of bone functional adaptation phenomenon useful in mechanical design.

PubMed

Nowak, Michał

2010-01-01

The paper discusses some unique properties of trabecular bone functional adaptation phenomenon, useful in mechanical design. On the basis of the biological process observations and the principle of constant strain energy density on the surface of the structure, the generic structural optimisation system has been developed. Such approach allows fulfilling mechanical theorem for the stiffest design, comprising the optimisations of size, shape and topology, using the concepts known from biomechanical studies. Also the biomimetic solution of multiple load problems is presented.

Structural and magnetic properties of two- and three-dimensional molecule-based magnets (cat) +[M IIM III(C 2O 4) 3] -

NASA Astrophysics Data System (ADS)

Ovanesyan, Nikolai S.; Shilov, Gena V.; Pyalling, Alex A.; Train, Cyrille; Gredin, Patrick; Gruselle, Michel; Kiss, László F.; Bottyán, László

2004-05-01

We discuss the different structural arrangements of NBu 4[Fe IICr III(C 2O 4) 3] layered compounds in their racemic and enantiomeric forms and related magnetic properties. For [Mn IIFe III(C 2O 4) 3] networks of dimensionalities 2 and 3 Mössbauer spectroscopy was applied to study the Fe III sublattice magnetization. Unusual magnetic relaxation phenomena below TN were observed for both 2D and 3D networks.

New Sulfide Compounds MeXMn1-XS (Me=3d Metal) with the Colossal Magnetoresistance Effect

DTIC Science & Technology

2006-05-19

is to synthesize the new MeXMn1-XS (Me=3d-metal) sulfide compounds and to study the electrical, magnetic and magnetoresistive properties . Recently...oxide compounds of manganese (LaMnO3-type) with perovskite structure have been intensively investigated. This interest is caused by the observation of... properties of the materials with different structure. It is known that alpha - MnS manganese monosulfide, similar to LaMnO3, has the specific

Structure Optimization of Porous Dental Implant Based on 3D Printing

NASA Astrophysics Data System (ADS)

Ji, Fangqiu; Zhang, Chunyu; Chen, Xianshuai

2018-03-01

In this paper, selective laser melting (SLM) technology is used to process complex structures. In combination with the theory of biomedicine, a porous implant with a porous structure is designed to induce bone cell growth. The mechanical strength advantage of SLM was discussed by observing the metallographic structure of SLM specimen with mechanical microscope and mechanical tensile test. The osseointegration of porous implants was observed and analyzed by biological experiments. By establishing a mechanical model, the mechanical properties of the bone implant combined with the jaw bone were studied by the simple mechanical analysis under static multi loading and the finite element mechanical analysis. According to the experimental observation and mechanical research, the optimization suggestions for the structure design of the implant made by SLM technology were put forward.

Structure and Dynamics of Hydroxyl-Functionalized Protic Ammonium Carboxylate Ionic Liquids.

PubMed

Thummuru, Dhileep Nagi Reddy; Mallik, Bhabani S

2017-10-26

We performed classical molecular dynamics simulations to investigate the structure and dynamics of protic ionic liquids, 2-hydroxy ethylammonium acetate, ethylammonium hydroxyacetate, and 2-hydroxyethylammonium hydroxyacetate at ambient conditions. Structural properties such as density, radial distribution functions, spatial distribution functions, and structure factors have been calculated. Dynamic properties such as mean square displacements, as well as residence and hydrogen bond dynamics have also been calculated. Hydrogen bond lifetimes and residence times change with the addition of hydroxyl groups. We observe that when a hydroxyl group is present on the cation, dynamics become very slow and it forms a strong hydrogen bond with carboxylate oxygen atoms of the anion. The hydroxyl functionalized ILs show more dynamic diversity than structurally similar ILs.

Effect of supramolecular structures on thermoplastic zein-lignin bionanocomposites.

PubMed

Oliviero, Maria; Verdolotti, Letizia; Di Maio, Ernesto; Aurilia, Marco; Iannace, Salvatore

2011-09-28

The effect of alkaline lignin (AL) and sodium lignosulfonate (LSS) on the structure of thermoplastic zein (TPZ) was studied. Protein structural changes and the nature of the physical interaction between lignin and zein were investigated by means of X-ray diffraction and Fourier transform infrared (FT-IR) spectroscopy and correlated with physical properties. Most relevant protein structural changes were observed at low AL concentration, where strong H-bondings between the functional groups of AL and the amino acids in zein induced a destructuring of inter- and intramolecular interactions in α-helix, β-sheet, and β-turn secondary structures. This destructuring allowed for an extensive protein conformational modification which, in turn, resulted in a strong improvement of the physical properties of the bionanocomposite.

A review of the structure-property relationships in lead-free piezoelectric (1−x)Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}–(x)BaTiO{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

McQuade, Ryan R.; Dolgos, Michelle R., E-mail: Michelle.Dolgos@oregonstate.edu

2016-10-15

Piezoelectric materials are increasingly being investigated for energy harvesting applications where (1−x)Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}–(x)BaTiO{sub 3} (NBT-BT) is an important lead-free piezoelectric material with potential to be used as an actuator in energy harvesting devices. Much effort has been put into modifying NBT-BT to tune the properties for specific applications, but there is currently no consensus regarding the structure-property relationships in this material, making targeted, rational design a major challenge. In this review, we will summarize the current body of knowledge of NBT-BT and discuss contradicting studies, unresolved problems, and future directions in the field. - Graphical abstract: This reviewmore » of (1−x)Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}–(x)BaTiO{sub 3} (NBT-BT) summarizes the large body of literature regarding the structure-property relationships of this complex material. We highlight structural studies of the average and local structures of both unpoled and poled samples of NBT-BT at its morphotropic phase boundary and discuss them in context of the observed piezoelectric properties. - Highlights: • Local and average structure of NBT-BT at morphotropic phase boundary is reviewed. • Average structure of poled and unpoled samples of NBT-BT is discussed. • Structure-property relationships in NBT-BT and future directions are summarized.« less

Hierarchical structure observation and nanoindentation size effect characterization for a limnetic shell

NASA Astrophysics Data System (ADS)

Song, Jingru; Fan, Cuncai; Ma, Hansong; Wei, Yueguang

2015-06-01

In the present research, hierarchical structure observation and mechanical property characterization for a type of biomaterial are carried out. The investigated biomaterial is Hyriopsis cumingii, a typical limnetic shell, which consists of two different structural layers, a prismatic "pillar" structure and a nacreous "brick and mortar" structure. The prismatic layer looks like a "pillar forest" with variation-section pillars sized on the order of several tens of microns. The nacreous material looks like a "brick wall" with bricks sized on the order of several microns. Both pillars and bricks are composed of nanoparticles. The mechanical properties of the hierarchical biomaterial are measured by using the nanoindentation test. Hardness and modulus are measured for both the nacre layer and the prismatic layer, respectively. The nanoindentation size effects for the hierarchical structural materials are investigated experimentally. The results show that the prismatic nanostructured material has a higher stiffness and hardness than the nacre nanostructured material. In addition, the nanoindentation size effects for the hierarchical structural materials are described theoretically, by using the trans-scale mechanics theory considering both strain gradient effect and the surface/interface effect. The modeling results are consistent with experimental ones.

Optical properties of honeycomb photonic structures

NASA Astrophysics Data System (ADS)

Sinelnik, Artem D.; Rybin, Mikhail V.; Lukashenko, Stanislav Y.; Limonov, Mikhail F.; Samusev, Kirill B.

2017-06-01

We study, theoretically and experimentally, optical properties of different types of honeycomb photonic structures, known also as "photonic graphene." First, we employ the two-photon polymerization method to fabricate the honeycomb structures. In the experiment, we observe a strong diffraction from a finite number of elements, thus providing a unique tool to define the exact number of scattering elements in the structure with the naked eye. Next, we study theoretically the transmission spectra of both honeycomb single layer and two-dimensional (2D) structures of parallel dielectric circular rods. When the dielectric constant of the rod materials ɛ is increasing, we reveal that a 2D photonic graphene structure transforms into a metamaterial when the lowest TE 01 Mie gap opens up below the lowest Bragg band gap. We also observe two Dirac points in the band structure of 2D photonic graphene at the K point of the Brillouin zone and demonstrate a manifestation of Dirac lensing for the TM polarization. The performance of the Dirac lens is that the 2D photonic graphene layer converts a wave from point source into a beam with flat phase surfaces at the Dirac frequency for the TM polarization.

Electronic, ductile, phase transition and mechanical properties of Lu-monopnictides under high pressures.

PubMed

Gupta, Dinesh C; Bhat, Idris Hamid

2013-12-01

The structural, elastic and electronic properties of lutatium-pnictides (LuN, LuP, LuAs, LuSb, and LuBi) were analyzed by using full-potential linearized augmented plane wave within generalized gradient approximation in the stable rock-salt structure (B1 phase) with space group Fm-3m and high-pressure CsCl structure (B2 phase) with space group Pm-3m. Hubbard-U and spin-orbit coupling were included to predict correctly the semiconducting band gap of LuN. Under compression, these materials undergo first-order structural transitions from B1 to B2 phases at 241, 98, 56.82, 25.2 and 32.3 GPa, respectively. The computed elastic properties show that LuBi is ductile by nature. The electronic structure calculations show that LuN is semiconductor at ambient conditions with an indirect band gap of 1.55 eV while other Lu-pnictides are metallic. It was observed that LuN shows metallization at high pressures. The structural properties, viz, equilibrium lattice constant, bulk modulus and its pressure derivative, transition pressure, equation of state, volume collapse, band gap and elastic moduli, show good agreement with available data.

First-principles study of structural, electronic, and optical properties of surface defects in GaAs(001) - β2(2x4)

NASA Astrophysics Data System (ADS)

Bacuyag, Dhonny; Escaño, Mary Clare Sison; David, Melanie; Tani, Masahiko

2018-06-01

We performed first-principles calculations based on density functional theory (DFT) to investigate the role of point defects in the structural, electronic, and optical properties of the GaAs(001)- β2(2x4). In terms of structural properties, AsGa is the most stable defect structure, consistent with experiments. With respect to the electronic structure, band structures revealed the existence of sub-band and midgap states for all defects. The induced sub-bands and midgap states originated from the redistributions of charges towards these defects and neighboring atoms. The presence of these point defects introduced deep energy levels characteristic of EB3 (0.97 eV), EL4 (0.52 eV), and EL2 (0.82 eV) for AsGa, GaAs, GaV, respectively. The optical properties are found to be strongly related to these induced gap states. The calculated onset values in the absorption spectra, corresponding to the energy gaps, confirmed the absorption below the known bulk band gap of 1.43 eV. These support the possible two-step photoabsorption mediated by midgap states as observed in experiments.

Overview of the HELCATS project

NASA Astrophysics Data System (ADS)

Harrison, Richard; Davies, Jackie; Perry, Chris; Moestl, Christian; Rouillard, Alexis; Bothmer, Volker; Rodriguez, Luciano; Eastwood, Jonathan; Kilpua, Emilia; Gallagher, Peter; Odstrcil, Dusan

2017-04-01

Understanding solar wind evolution is fundamental to advancing our knowledge of energy and mass transport in the solar system, whilst also being crucial to space weather and its prediction. The advent of truly wide-angle heliospheric imaging has revolutionised the study of solar wind evolution, by enabling direct and continuous observation of both transient and background components of the solar wind as they propagate from the Sun to 1 AU and beyond. The EU-funded FP7 Heliospheric Cataloguing, Analysis and Techniques Service (HELCATS) project combines European expertise in heliospheric imaging, built up over the last decade in particular through lead involvement in NASA's STEREO mission, with expertise in solar and coronal imaging as well as the interpretation of in-situ and radio diagnostic measurements of solar wind phenomena. HELCATS involves: (1) cataloguing of transient (coronal mass ejections) and background (stream/corotating interaction regions) solar wind structures observed by the STEREO/Heliospheric Imagers, including estimates of their kinematic properties based on a variety of modelling techniques; (2) verifying these kinematic properties through comparison with solar source observations and in-situ measurements at multiple points throughout the heliosphere; (3) assessing the potential for initialising numerical models based on the derived kinematic properties of transient and background solar wind components; (4) assessing the complementarity of radio observations (Type II radio bursts and interplanetary scintillation) in the detection and analysis of heliospheric structure in combination with heliospheric imaging observations. We provide an overview of the achievements of the HELCATS project, as it reaches its conclusion, and present selected results that seek to illustrate the value and legacy of this unprecedented, coordinated study of structures in the heliosphere.

Modulation of structural, electrical, and magnetic features with dilute Zr substitution in Bi0.8La0.2Fe1-xZrxO3 system

NASA Astrophysics Data System (ADS)

Usama, Hasan M.; Akter, Ayesha; Zubair, M. A.

2017-12-01

A significant structural modification and enhancement of the electrical and magnetic properties with dilute substitution of Zr (≤1 mol. %) in the Bi0.8La0.2Fe1-xZrxO3 system has been reported. A mixture of rhombohedral and orthorhombic phases was detected in these conventionally sintered ceramics. Transition from a leaky state to an insulating state was observed upon Zr substitution. This is the first time that a drop in the electrical conductivity as large as 6 orders of magnitude for doping as small as 0.25 mol. % in bismuth ferrite systems has been reported. An investigation on the nature of this abrupt transition revealed the dominant role of defects. A proper consideration of possible defect reactions taking place during and after sintering satisfactorily accounts for the observed modulation in the electrical properties. Both AC and DC measurements indicate that, before Zr substitution, p-type hopping conduction prevails with an activation energy as low as ˜0.57 eV, whereas the Zr substitution makes oxide ion migration the central mechanism for conduction with the activation energy of ˜0.96-1.08 eV. In contrast to that, the magnetic properties of the compounds experience a more subtle effect; a gradual modification of saturation magnetization and coercivity with Zr substitution is observed. Curve fitting of the magnetic hysteresis loops not only allowed extraction of three separate contributions from the magnetic response but also helped to explain the effects of Zr on the magnetic properties. Modifications of structural characteristics and magnetic anisotropy of the samples are believed to be the primary driving force behind the improvement in the magnetic properties.

Discriminant function analysis as tool for subsurface geologist

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chesser, K.

1987-05-01

Sedimentary structures such as cross-bedding control porosity, permeability, and other petrophysical properties in sandstone reservoirs. Understanding the distribution of such structures in the subsurface not only aids in the prediction of reservoir properties but also provides information about depositional environments. Discriminant function analysis (DFA) is a simple yet powerful method incorporating petrophysical data from wireline logs, core analyses, or other sources into groups that have been previously defined through direct observation of sedimentary structures in cores. Once data have been classified into meaningful groups, the geologist can predict the distribution of specific sedimentary structures or important reservoir properties in areasmore » where cores are unavailable. DFA is efficient. Given several variables, DFA will choose the best combination to discriminate among groups. The initial classification function can be computed from relatively few observations, and additional data may be included as necessary. Furthermore, DFA provides quantitative goodness-of-fit estimates for each observation. Such estimates can be used as mapping parameters or to assess risk in petroleum ventures. Petrophysical data from the Skinner sandstone of Strauss field in southeastern Kansas tested the ability of DFA to discriminate between cross-bedded and ripple-bedded sandstones. Petroleum production in Strauss field is largely restricted to the more permeable cross-bedded sandstones. DFA based on permeability correctly placed 80% of samples into cross-bedded or ripple-bedded groups. Addition of formation factor to the discriminant function increased correct classifications to 83% - a small but statistically significant gain.« less

Structural stability and mechanical properties of technetium mononitride (TcN)

NASA Astrophysics Data System (ADS)

Soni, Shubhangi; Choudhary, K. K.; Kaurav, Netram

2018-05-01

Among the nitrides, 3d and 4d transition metal nitrides have been investigated both experimentally and theoretically due to their predominant performances and enormous applications. In the present paper, we have attempted to predict the structural stability and mechanical properties of technetium mononitride (TcN) using an effective interionic interaction potential, which includes the long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach. Our theoretical approach reveals the structural phase transition of the TcN B3 to B1 structure, wherein, the Gibbs' free energies of both the structures were minimized. The variations of elastic constants with pressure follow a systematic trend identical to that observed in other compounds of ZnS type structure family.

Influence of processing factors on the physical metallurgy of LENS deposited 316L stainless steel.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Nancy Y. C.; Yee, Joshua Keng; Zheng, Baolong

2015-12-01

Directed energy deposition (DED) is a type of additive manufacturing (AM) process; Laser Engineered Net Shaping (LENS) is a commercial DED process. We are developing LENS technology for printing 316L stainless steel components for structural applications. It is widely known that material properties of AM components are process dependent, attributed to different molten metal incorporation and thermal transport mechanisms. This investigation focuses on process-structure-property relationships for LENS deposits for enabling the process development and optimization to control material property. We observed interactions among powder melting, directional molten metal flow, and the molten metal solidification. The resultant LENS induced microstructure foundmore » to be dictated by the process-related characteristics, i.e., interpass boundaries from multi-layer deposition, molten metal flow lines, and solidification dendrite cells. Each characteristic bears the signature of the unique localized thermal history during deposition. Correlation observed between localized thermal transport, resultant microstructure, and its subsequent impact on the mechanical behavior of the current 316L is discussed. We also discuss how the structures of interpass boundaries are susceptible to localized recrystallization, grain growth and/or defect formation, and therefore, heterogeneous mechanical properties due to the adverse presence of unmelted powder inclusions.« less

Electronic structure and magnetic properties of disordered Co{sub 2}FeAl Heusler alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jain, Vishal, E-mail: vjain045@gmail.com; Jain, Vivek, E-mail: vjain045@gmail.com; Sudheesh, V. D., E-mail: vjain045@gmail.com

The effects of disorder on the magnetic properties of Co{sub 2}FeAl alloy are reported. X-ray diffraction exhibit A2-type disordered structure. Room temperature Mössbauer studies show the presence of two sextets with hyperfine field values of 31T and 30T along with a nonmagnetic singlet. The electronic structure of ordered and disordered Co{sub 2}FeAl alloys, investigated by means of the KKR Green's-function method shows that the magnetic moment of the ordered structure is 5.08μ{sub B} and is 5.10μ{sub B} when disordered. However, a much higher magnetic moment of 5.74μ{sub B} is observed experimentally.

Effect of rhenium on the structure and properties of the weld metal of a molybdenum alloy

NASA Technical Reports Server (NTRS)

Dyachenko, V. V.; Morozov, B. P.; Tylkina, M. A.; Savitskiy, Y. M.; Nikishanov, V. V.

1984-01-01

The structure and properties of welds made in molybdenum alloy VM-1 as a function of rhenium concentrations in the weld metal were studied. Rhenium was introduced into the weld using rhenium wire and tape or wires of Mo-47Re and Mo-52Re alloys. The properties of the weld metal were studied by means of metallographic techniques, electron microscopy, X-ray analysis, and autoradiography. The plasticity of the weld metal sharply was found to increase with increasing concentration of rhenium up to 50%. During welding, a decarburization process was observed which was more pronounced at higher concentrations of rhenium.

Transport Properties in Nuclear Pasta

NASA Astrophysics Data System (ADS)

Caplan, Matthew; Horowitz, Charles; Berry, Donald; da Silva Schneider, Andre

2016-09-01

At the base of the inner crust of neutron stars, where matter is near the nuclear saturation density, nuclear matter arranges itself into exotic shapes such as cylinders and slabs, called `nuclear pasta.' Lepton scattering from these structures may govern the transport properties of the inner crust; electron scattering from protons in the pasta determines the thermal and electrical conductivity, as well as the shear viscosity of the inner crust. These properties may vary in pasta structures which form at various densities, temperatures, and proton fractions. In this talk, we report on our calculations of lepton transport in nuclear pasta and the implication for neutron star observables.

The atmospheric structure and dynamical properties of Neptune derived from ground-based and IUE spectrophotometry

NASA Technical Reports Server (NTRS)

Baines, Kevin H.; Smith, Wm. Hayden

1990-01-01

A wide range of recent full-disk spectral observations is used to constrain the atmospheric structure and dynamical properties of Neptune; analytical determinations are made of the abundances of such spectrally active gas species as the deep-atmosphere CH4 molar fraction and the mean ortho/para hydrogen ratio in the visible atmosphere, as well as stratospheric and tropospheric aerosol properties. Compared to Uranus, the greater abundance and shorter lifetimes of Neptunian particulates in the stratospheric region irradiated by the solar UV flux indicate that such radiation is the darkening agent of stratospheric aerosols on both planets.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manikandan, M.; Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com

Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of actinide carbides AnC (An=U, Np) for three different crystal structures, namely NaCl, CsCl and ZnS. Among the considered structures, NaCl structure is found to be the most stable structure for these carbides at normal pressure. A pressure induced structural phase transition from NaCl to ZnS is observed. The electronic structure reveals that these carbides are metals. The calculated elastic constants indicate that these carbides are mechanically stable at normal pressure.

Spectroscopic and fiber optic ethanol sensing properties Gd doped ZnO nanoparticles.

PubMed

Noel, J L; Udayabhaskar, R; Renganathan, B; Muthu Mariappan, S; Sastikumar, D; Karthikeyan, B

2014-11-11

We report the structural, optical and gas sensing properties of prepared pure and Gd doped ZnO nanoparticles through solgel method at moderate temperature. Structural studies are carried out by X-ray diffraction method confirms hexagonal wurtzite structure and doping induced changes in lattice parameters is observed. Optical absorption spectral studies shows red shift in the absorption peak corresponds to band-gap from 3.42 eV to 3.05 eV and broad absorption in the visible range after Gd doping is observed. Scanning electron microscopic studies shows increase in particle size where the particle diameters increase from few nm to micrometers after Gd doping. The clad modified ethanol fiber-optic sensor studies for ethanol sensing exhibits best sensitivity for the 3% Gd doped ZnO nanoparticles and the sensitivity get lowered incase of higher percentage of Gd doped ZnO sample. Copyright © 2014 Elsevier B.V. All rights reserved.

An interplanetary planar magnetic structure oriented at a large (about 80 deg) angle to the Parker spiral

NASA Technical Reports Server (NTRS)

Farrugia, M. W.; Dunlop, M. W.; Geurts, F.; Balogh, A.; Southwood, D. J.; Bryant, D. A.; Neugebauer, M.

1990-01-01

Magnetic field structures in the solar wind, characterized by a variation of the field vectors within a plane inclined to the ecliptic ('Planar Magnetic Structures', PMSs), were reported recently (Nakagawa et al., 1989). These PMSs have the property that the plane of variation of the field also contains the nominal Parker spiral direction. An observation of a PMS where the direction of the line of intersection of the plane of field variation with the ecliptic plane makes a large (about 80 deg) angle to the Parker spiral direction is presented. Furthermore, the angular variables of the field (1) vary over a restricted range, and (2) are linearly related. The latter property is related to the former. Currently proposed models for the origin of PMS, inasmuch as they require field configurations which retain strict alignment with the Parker spiral direction from formation to observation, are probably incomplete.

Mechanical, Thermal and Acoustic Properties of Open-pore Phenolic Multi-structured Cryogel

NASA Astrophysics Data System (ADS)

Yao, Rui; Yao, Zhengjun; Zhou, Jintang; Liu, Peijiang; Lei, Yiming

2017-09-01

Open-pore phenolic cryogel acoustic multi-structured plates (OCMPs) were prepared via modified sol gel polymerization and freeze-dried methods. The pore morphology, mechanical, thermal and acoustic properties of the cryogels were investigated. From the experimental results, the cryogels exhibited a porous sandwich microstructure: A nano-micron double-pore structure was observed in the core layer of the plates, and nanosized pores were observed in the inner part of the micron pores. In addtion, compared with cryogel plates with uniform-pore (OCPs), the OCMPs had lower thermal conductivities. What’s more, the compressive and tensile strength of the OCMPs were much higher than those of OCPs. Finally, the OCMPs exhibited superior acoustic performances (20% solid content OCMPs performed the best) as compared with those of OCPs. Moreover, the sound insulation value and sound absorption bandwidth of OCMPs exhibited an improvement of approximately 3 and 2 times as compared with those of OCPs, respectively.

Field spheroid-dominated galaxies in a Λ-CDM Universe

NASA Astrophysics Data System (ADS)

Rosito, M. S.; Pedrosa, S. E.; Tissera, P. B.; Avila-Reese, V.; Lacerna, I.; Bignone, L. A.; Ibarra-Medel, H. J.; Varela, S.

2018-06-01

Context. Understanding the formation and evolution of early-type, spheroid-dominated galaxies is an open question within the context of the hierarchical clustering scenario, particularly in low-density environments. Aims: Our goal is to study the main structural, dynamical, and stellar population properties and assembly histories of field spheroid-dominated galaxies formed in a Λ-cold dark matter (Λ-CDM) scenario to assess to what extent they are consistent with observations. Methods: We selected spheroid-dominated systems from a Λ-CDM simulation that includes star formation (SF), chemical evolution, and supernova feedback. The sample is made up of 18 field systems with MStar ≲ 6 × 1010M⊙ that are dominated by the spheroid component. For this sample we estimated the fundamental relations of ellipticals and compared them with current observations. Results: The simulated spheroid galaxies have sizes that are in good agreement with observations. The bulges follow a Sersic law with Sersic indexes that correlate with the bulge-to-total mass ratios. The structural-dynamical properties of the simulated galaxies are consistent with observed Faber-Jackson, fundamental plane, and Tully-Fisher relations. However, the simulated galaxies are bluer and with higher star formation rates (SFRs) than the observed isolated early-type galaxies. The archaeological mass growth histories show a slightly delayed formation and more prominent inside-out growth mode than observational inferences based on the fossil record method. Conclusions: The main structural and dynamical properties of the simulated spheroid-dominated galaxies are consistent with observations. This is remarkable since our simulation has not been calibrated to match them. However, the simulated galaxies are blue and star-forming, and with later stellar mass growth histories compared to observational inferences. This is mainly due to the persistence of extended discs in the simulations. The need for more efficient quenching mechanisms able to avoid further disc growth and SF is required in order to reproduce current observational trends.

Structural and magnetic properties of chromium doped zinc ferrite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sebastian, Rintu Mary; Thankachan, Smitha; Xavier, Sheena

2014-01-28

Zinc chromium ferrites with chemical formula ZnCr{sub x}Fe{sub 2−x}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) were prepared by Sol - Gel technique. The structural as well as magnetic properties of the synthesized samples have been studied and reported here. The structural characterizations of the samples were analyzed by using X – Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscope (SEM), and Transmission Electron Microscope (TEM). The single phase spinel cubic structure of all the prepared samples was tested by XRD and FTIR. The particle size was observed to decrease from 18.636 nm to 6.125more » nm by chromium doping and induced a tensile strain in all the zinc chromium mixed ferrites. The magnetic properties of few samples (x = 0.0, 0.4, 1.0) were investigated using Vibrating Sample Magnetometer (VSM)« less

Quantum Conductance in Metal Nanowires

NASA Astrophysics Data System (ADS)

Ugarte, Daniel

2004-03-01

Quantum Conductance in Metal Nanowires D. Ugarte Brazilian National Synchrotron Light Laboratory C.P. 6192, 13084-971 Campinas SP, Brazil. Electrical transport properties of metallic nanowires (NWs) have received great attention due to their quantum conductance behavior. Atomic scale wires can be generated by stretching metal contacts; during the elongation and just before rupture, the NW conductance shows flat plateaus and abrupt jumps of approximately a conductance quantum. In this experiments, both the NW atomic arrangement and conductance change simultaneously, making difficult to discriminate electronic and structural effects. In this work, the atomic structure of NWs was studied by time-resolved in situ experiments in a high resolution transmission electron microscope, while their electrical properties using an UHV mechanically controllable break junction (MCBJ). From the analysis of numerous HRTEM images and videos, we have deduced that metal (Au, Ag, Pt, etc.) junctions generated by tensile deformation are crystalline and free of defects. The neck structure is strongly dependent on the surface properties of the analyzed metal, this was verified by comparing different metal NWs (Au, Ag, Cu), which have similar atomic structure (FCC), but show very different faceting patterns. The correlation between the observed structural and transport properties of NW points out that the quantum conductance behavior is defined by preferred atomic arrangement at the narrowest constriction. In the case of magnetic (ex. Fe,Co,Ni) or quasi-magnetic (ex. Pd) wires, we have observed that one-atom-thick structures show a conductance of half the quantum as expected for a fully spin polarized current. This phenomenon seems to occur spontaneously for magnetic suspended atom-chains in zero magnetic field and at room temperature. These results open new opportunities for spin control in nanostructures. Funded by FAPESP, LNLS and CNPq.

Physical and structural properties of Sm3+ ions doped heavy metal oxide containing lanthanum-boro-telluirte glass

NASA Astrophysics Data System (ADS)

Madhu, A.; Eraiah, B.

2018-05-01

The structural studies of Tellurium oxide substituted by samarium oxide in lathanum-lead-boro-tellurite glass are successfully prepared with physical and optical parameters are determined. Due to the effect of increased number of non-bridging oxygen's in the glass samples few physical parameters are observed to be decreased. For the better structural analysis FTIR was carried out and transformation of BO3 → BO4 is observed. Most effective absorption coefficient OH- group was attained in the present work.

Fracture Testing of Integral Stiffened Structure

NASA Technical Reports Server (NTRS)

Newman, John A.; Smith, Stephen W.; Piascik, Robert S.; Dawicke, David S.; Johnston, William M.; Willard, Scott A.

2008-01-01

Laboratory testing was conducted to evaluate safety concerns for integrally-stiffened tanks that were found to have developed cracks during pressurization testing. Cracks occurred at fastener holes where additional stiffeners were attached to the integrally-stiffened tank structure. Tests were conducted to obtain material properties and to reproduce the crack morphologies that were observed in service to help determine if the tanks are safe for operation. Reproducing the cracking modes observed during pressurization testing required a complex loading state involving both a tensile load in the integrally-stiffened structure and a pin-load at a fastener hole.

Structural and Optical Behaviour of Ar+ Implanted Polycarbonate

NASA Astrophysics Data System (ADS)

Shekhawat, Nidhi; Aggarwal, Sanjeev; Sharma, Annu; Deshpande, S. K.; Nair, K. G. M.

2011-07-01

Effects of 130 keV Ar+ ion implantation on the structural and optical properties of polycarbonate specimens have been studied using Raman, UV-Visible spectroscopy and glancing angle X-ray diffraction techniques. Formation of disordered carbonaceous network in the implanted layers has been observed using Raman and UV-Visible spectroscopy. A sharp decline in band gap values (4.1 eV to 0.63 eV) with increase in implantation dose has been observed. This decrease in optical band gap has been correlated with the formation of disordered structures in the implanted layers of polycarbonate.

Structure and magnetic properties of Co2FeSi film deposited on Si/SiO2 substrate with Cr buffer layer

NASA Astrophysics Data System (ADS)

Chatterjee, Payel; Basumatary, Himalay; Raja, M. Manivel

2018-05-01

Co2FeSi thin films of 25 nm thickness with 50 nm thick Cr buffer layer was deposited on thermally oxidized Si substrates. Structural and magnetic properties of the films were studied as a function of annealing temperature and substrate temperatures. While the coercivity increases with increase in annealing temperature, it is found to decrease with increase in substrate temperature. A minimum coercivity of 18 Oe has been obtained for the film deposited at 550°C substrate temperature. This was attributed to the formation of L12 phase as observed from the GIXRD studies. The films with a good combination of soft magnetic properties and L21 crystal structure are suitable for spintronic applications.

Challenges for Insertion of Structural Nanomaterials in Aerospace Applications

NASA Technical Reports Server (NTRS)

Sochi, Emilie J.

2012-01-01

In the two decades since Iijima's report on carbon nanotubes (CNT), there has been great interest in realizing the benefits of mechanical properties observed at the nanoscale in large-scale structures. The weight savings possible due to dramatic improvements in mechanical properties relative to state-of-the-art material systems can be game changing for applications like aerospace vehicles. While there has been significant progress in commercial production of CNTs, major aerospace applications that take advantage of properties offered by this material have yet to be realized. This paper provides a perspective on the technical challenges and barriers for insertion of CNTs as an emerging material technology in aerospace applications and proposes approaches that may reduce the typical timeframe for technology maturation and insertion into aerospace structures.

Tungsten-incorporation induced red-shift in the bandgap of gallium oxide thin films

NASA Astrophysics Data System (ADS)

Rubio, E. J.; Ramana, C. V.

2013-05-01

Tungsten (W) incorporated Ga2O3 films were produced by co-sputter deposition. W-concentration was varied by the applied sputtering-power. The structure and optical properties of W-incorporated Ga2O3 films were evaluated using X-ray diffraction, scanning electron microscopy, and spectrophotometric measurements. No secondary phase formation was observed in W-incorporated Ga2O3 films. W-induced effects were significant on the structure and optical properties of Ga2O3 films. The bandgap of Ga2O3 films without W-incorporation was ˜5 eV. Red-shift in the bandgap was noted with increasing W-concentration indicating the electronic structure changes in W-Ga2O3 films. A functional relationship between W-concentration and optical property is discussed.

Prediction of trabecular bone qualitative properties using scanning quantitative ultrasound

PubMed Central

Qin, Yi-Xian; Lin, Wei; Mittra, Erik; Xia, Yi; Cheng, Jiqi; Judex, Stefan; Rubin, Clint; Müller, Ralph

2012-01-01

Microgravity induced bone loss represents a critical health problem in astronauts, particularly occurred in weight-supporting skeleton, which leads to osteopenia and increase of fracture risk. Lack of suitable evaluation modality makes it difficult for monitoring skeletal status in long term space mission and increases potential risk of complication. Such disuse osteopenia and osteoporosis compromise trabecular bone density, and architectural and mechanical properties. While X-ray based imaging would not be practical in space, quantitative ultrasound may provide advantages to characterize bone density and strength through wave propagation in complex trabecular structure. This study used a scanning confocal acoustic diagnostic and navigation system (SCAN) to evaluate trabecular bone quality in 60 cubic trabecular samples harvested from adult sheep. Ultrasound image based SCAN measurements in structural and strength properties were validated by μCT and compressive mechanical testing. This result indicated a moderately strong negative correlations observed between broadband ultrasonic attenuation (BUA) and μCT-determined bone volume fraction (BV/TV, R2=0.53). Strong correlations were observed between ultrasound velocity (UV) and bone’s mechanical strength and structural parameters, i.e., bulk Young’s modulus (R2=0.67) and BV/TV (R2=0.85). The predictions for bone density and mechanical strength were significantly improved by using a linear combination of both BUA and UV, yielding R2=0.92 for BV/TV and R2=0.71 for bulk Young’s modulus. These results imply that quantitative ultrasound can characterize trabecular structural and mechanical properties through measurements of particular ultrasound parameters, and potentially provide an excellent estimation for bone’s structural integrity. PMID:23976803

Species diversity of remnant calcareous grasslands in south eastern Germany depends on litter cover and landscape structure

NASA Astrophysics Data System (ADS)

Huber, Stephanie; Huber, Birgit; Stahl, Silvia; Schmid, Christoph; Reisch, Christoph

2017-08-01

Species diversity depends on, often interfering, multiple ecological drivers. Comprehensive approaches are hence needed to understand the mechanisms determining species diversity. In this study, we analysed the impact of vegetation structure, soil properties and fragmentation on the plant species diversity of remnant calcareous grasslands, therefore, in a comparative approach. We determined plant species diversity of 18 calcareous grasslands in south eastern Germany including all species and grassland specialists separately. Furthermore, we analysed the spatial structure of the grasslands as a result of fragmentation during the last 150 years (habitat area, distance to the nearest calcareous grassland and connectivity in 1830 and 2013). We also collected data concerning the vegetation structure (height of the vegetation, cover of bare soil, grass and litter) and the soil properties (content of phosphorous and potassium, ratio of carbon and nitrogen) of the grassland patches. Data were analysed using Bayesian multiple regressions. We observed a habitat loss of nearly 80% and increasing isolation between grasslands since 1830. In the Bayesian multiple regressions the species diversity of the studied grasslands depended negatively on cover of litter and to a lower degree on the distance to the nearest calcareous grassland in 2013, whereas soil properties had no significant impact. Our study supports the observation that vegetation structure, which strongly depends on land use, is often more important for the species richness of calcareous grasslands than fragmentation or soil properties. Even small and isolated grasslands may, therefore, contribute significantly to the conservation of species diversity, when they are still grazed.

Prediction of trabecular bone qualitative properties using scanning quantitative ultrasound

NASA Astrophysics Data System (ADS)

Qin, Yi-Xian; Lin, Wei; Mittra, Erik; Xia, Yi; Cheng, Jiqi; Judex, Stefan; Rubin, Clint; Müller, Ralph

2013-11-01

Microgravity induced bone loss represents a critical health problem in astronauts, particularly occurred in weight-supporting skeleton, which leads to osteopenia and increase of fracture risk. Lack of suitable evaluation modality makes it difficult for monitoring skeletal status in long term space mission and increases potential risk of complication. Such disuse osteopenia and osteoporosis compromise trabecular bone density, and architectural and mechanical properties. While X-ray based imaging would not be practical in space, quantitative ultrasound may provide advantages to characterize bone density and strength through wave propagation in complex trabecular structure. This study used a scanning confocal acoustic diagnostic and navigation system (SCAN) to evaluate trabecular bone quality in 60 cubic trabecular samples harvested from adult sheep. Ultrasound image based SCAN measurements in structural and strength properties were validated by μCT and compressive mechanical testing. This result indicated a moderately strong negative correlations observed between broadband ultrasonic attenuation (BUA) and μCT-determined bone volume fraction (BV/TV, R2=0.53). Strong correlations were observed between ultrasound velocity (UV) and bone's mechanical strength and structural parameters, i.e., bulk Young's modulus (R2=0.67) and BV/TV (R2=0.85). The predictions for bone density and mechanical strength were significantly improved by using a linear combination of both BUA and UV, yielding R2=0.92 for BV/TV and R2=0.71 for bulk Young's modulus. These results imply that quantitative ultrasound can characterize trabecular structural and mechanical properties through measurements of particular ultrasound parameters, and potentially provide an excellent estimation for bone's structural integrity.

Micrometer-sized Water Ice Particles for Planetary Science Experiments: Influence of Surface Structure on Collisional Properties

NASA Astrophysics Data System (ADS)

Gaertner, Sabrina; Gundlach, Bastian; Headen, Thomas F.; Ratte, Judy; Oesert, Joachim; Gorb, Stanislav N.; Youngs, Tristan G. A.; Bowron, Daniel T.; Blum, Jürgen; Fraser, Helen

2018-06-01

Models and observations suggest that particle aggregation at and beyond the snowline is aided by water ice. As icy particles play such a crucial role in the earliest stages of planet formation, many laboratory studies have exploited their collisional properties across a wide range of parameters (particle size, impact velocity, temperature T, and pressure P).However, not all of these parameters have always been varied systematically, leading to apparently contradictory results on collision outcomes. Previous experiments only agreed that a temperature dependence set in above ≈210 K. Open questions remain as to what extent the structural properties of the particles themselves dictate collision outcomes. The P–T gradients in protoplanetary disks mean that the ices are constantly processed, undergoing phase changes between different solid phases and the gas phase. To understand how effectively collision experiments reproduce protoplanetary disk conditions, environmental impacts on particle structure need to be investigated.We characterized the bulk and surface structure of icy particles used in collision experiments, exploiting the unique capabilities of the NIMROD neutron scattering instrument. Varying temperature at a constant pressure of around 30 mbar, we studied structural alterations to determine which of the observed properties matches the temperature dependencies observed in collisional behaviour.Our icy grains are formed under liquid nitrogen and heated from 103 to 247 K. As a result, they undergo changes in the crystalline ice-phase, sublimation, sintering and surface pre-melting. An increase in the thickness of the diffuse surface layer from ≈10 to ≈30 Å (≈2.5 to 12 bilayers) suggests increased molecular mobility at temperatures above ≈210 K.Because none of the other changes ties in with the temperature trends in collisional outcomes, we conclude that the diffuse interface plays a key role in collision experiments at these temperatures. Consequently, the P–T environment may have a larger influence on collision outcomes than previously thought.

General properties of magnetic CP stars

NASA Astrophysics Data System (ADS)

Glagolevskij, Yu. V.

2017-07-01

We present the review of our previous studies related to observational evidence of the fossil field hypothesis of formation and evolution of magnetic and non-magnetic chemically peculiar stars. Analysis of the observed data shows that these stars acquire their main properties in the process of gravitational collapse. In the non-stationary Hayashi phase, a magnetic field becomes weakened and its configuration complicated, but the fossil field global orientation remains. After a non-stationary phase, relaxation of young star's tangled field takes place and by the time of joining ZAMS (Zero Age Main Sequence) it is generally restored to a dipole structure. Stability of dipole structures allows them to remain unchanged up to the end of their life on the Main Sequence which is 109 years at most.

Modeling the Structure of Composite Supernova Remnants

NASA Astrophysics Data System (ADS)

Slane, Patrick

2015-09-01

The dynamical structure of a composite SNR, along with its broadband emission, provides crucial constraints on the ejecta mass and explosion energy, the properties of the pulsar that powers the associated wind nebula, and the ultimate fate of the particles that it injects. Of particular importance is the effect of asymmetries introduced through spatial variations in the ambient medium density and by rapid motion of the pulsar. Here we propose hydrodynamical and semi-analytical modeling of G21.5-0.9 and G292.0+1.8, SNRs for which deep Chandra observations have provided key input parameters for these models. We will derive ambient conditions and pulsar properties that lead to the observed morphology, broadband emission, and shock conditions in these important composite systems.

More Than Filaments and Cores: Statistical Study of Structure Formation and Dynamics in Nearby Molecular Clouds

NASA Astrophysics Data System (ADS)

Chen, How-Huan; Goodman, Alyssa

2018-01-01

In the past decade, multiple attempts at understanding the connection between filaments and star forming cores have been made using observations across the entire epectrum. However, the filaments and the cores are usually treated as predefined--and well-defined--entities, instead of structures that often come at different sizes, shapes, with substantially different dynamics, and inter-connected at different scales. In my dissertation, I present an array of studies using different statistical methods, including the dendrogram and the probability distribution function (PDF), of structures at different size scales within nearby molecular clouds. These structures are identified using observations of different density tracers, and where possible, in the multi-dimensional parameter space of key dynamic properties--the LSR velocity, the velocity dispersion, and the column density. The goal is to give an overview of structure formation in nearby star-forming clouds, as well as of the dynamics in these structures. I find that the overall statistical properties of a larger structure is often the summation/superposition of sub-structures within, and that there could be significant variations due to local physical processes. I also find that the star formation process within molecular clouds could in fact take place in a non-monolithic manner, connecting potentially merging and/or transient structures, at different scales.

Functional connectivity dynamically evolves on multiple time-scales over a static structural connectome: Models and mechanisms.

PubMed

Cabral, Joana; Kringelbach, Morten L; Deco, Gustavo

2017-10-15

Over the last decade, we have observed a revolution in brain structural and functional Connectomics. On one hand, we have an ever-more detailed characterization of the brain's white matter structural connectome. On the other, we have a repertoire of consistent functional networks that form and dissipate over time during rest. Despite the evident spatial similarities between structural and functional connectivity, understanding how different time-evolving functional networks spontaneously emerge from a single structural network requires analyzing the problem from the perspective of complex network dynamics and dynamical system's theory. In that direction, bottom-up computational models are useful tools to test theoretical scenarios and depict the mechanisms at the genesis of resting-state activity. Here, we provide an overview of the different mechanistic scenarios proposed over the last decade via computational models. Importantly, we highlight the need of incorporating additional model constraints considering the properties observed at finer temporal scales with MEG and the dynamical properties of FC in order to refresh the list of candidate scenarios. Copyright © 2017 Elsevier Inc. All rights reserved.

Thermo-Mechanical Behavior of Textile Heating Fabric Based on Silver Coated Polymeric Yarn

PubMed Central

Hamdani, Syed Talha Ali; Potluri, Prasad; Fernando, Anura

2013-01-01

This paper presents a study conducted on the thermo-mechanical properties of knitted structures, the methods of manufacture, effect of contact pressure at the structural binding points, on the degree of heating. The test results also present the level of heating produced as a function of the separation between the supply terminals. The study further investigates the rate of heating and cooling of the knitted structures. The work also presents the decay of heating properties of the yarn due to overheating. Thermal images were taken to study the heat distribution over the surface of the knitted fabric. A tensile tester having constant rate of extension was used to stretch the fabric. The behavior of temperature profile of stretched fabric was observed. A comparison of heat generation by plain, rib and interlock structures was studied. It was observed from the series of experiments that there is a minimum threshold force of contact at binding points of a knitted structure is required to pass the electricity. Once this force is achieved, stretching the fabric does not affect the amount of heat produced. PMID:28809358

Relationships for electron-vibrational coupling in conjugated π organic systems

NASA Astrophysics Data System (ADS)

O'Neill, L.; Lynch, P.; McNamara, M.; Byrne, H. J.

2005-06-01

A series of π conjugated systems were studied by absorption, photoluminescence and vibrational spectroscopy. As is common for these systems, a linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length is observed. The relationships are in good agreement with the simple particle in a box method, one of the earliest descriptions of the properties of one-dimensional organic molecules. In addition to the electronic transition energies, it was observed that the Stokes shift also exhibited a well-defined relationship with increasing conjugation length, implying a correlation between the electron-vibrational coupling and chain length. This correlation is further examined using Raman spectroscopy, whereby the integrated Raman scattering is seen to behave superlinearly with chain length. There is a clear indication that the vibrational activity and thus nonradiative decay processes are controllable through molecular structure. The correlations between the Stokes energies and the vibrational structure are also observed in a selection of PPV based polymers and a clear trend of increasing luminescence efficiency with decreasing vibrational activity and Stokes shift is observable. The implications of such structure property relationships in terms of materials design are discussed.

INTERPRETATION OF THE STRUCTURE FUNCTION OF ROTATION MEASURE IN THE INTERSTELLAR MEDIUM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Siyao; Zhang, Bing, E-mail: syxu@pku.edu.cn, E-mail: zhang@physics.unlv.edu

2016-06-20

The observed structure function (SF) of rotation measure (RM) varies as a broken power-law function of angular scales. The systematic shallowness of its spectral slope is inconsistent with the standard Kolmogorov scaling. This motivates us to examine the statistical analysis on RM fluctuations. The correlations of RM constructed by Lazarian and Pogosyan are demonstrated to be adequate in explaining the observed features of RM SFs through a direct comparison between the theoretically obtained and observationally measured SF results. By segregating the density and magnetic field fluctuations and adopting arbitrary indices for their respective power spectra, we find that when themore » SFs of RM and emission measure have a similar form over the same range of angular scales, the statistics of the RM fluctuations reflect the properties of density fluctuations. RM SFs can be used to evaluate the mean magnetic field along the line of sight, but cannot serve as an informative source on the properties of turbulent magnetic field in the interstellar medium. We identify the spectral break of RM SFs as the inner scale of a shallow spectrum of electron density fluctuations, which characterizes the typical size of discrete electron density structures in the observed region.« less

Structure and properties of B20Si-/0/+ clusters

NASA Astrophysics Data System (ADS)

Lu, Qi Liang; Luo, Qi Quan; Li, Yi De; Huang, Shou Guo

2018-06-01

A global search for the lowest energy structure of B20Si-, B20Si0 and B20Si+ clusters is conducted. Structural transitions at different charge states are observed. B20Si- is a 2D planar configuration with no polygonal holes, and Si atom occupies a peripheral position. B20Si+ adopts a 3D tubular shape, and each Si is bonded with four B atoms. But for B20Si0, competition among quasi-planar, tubular and cage like structures is found. These structures differ greatly from that of pure B21 - cluster. The structural transition may result from changes in the framework of bonding, sp 2 hybridization, and structural mechanics. Some of the clusters' properties including frontier molecular orbital, on-site charge on Si atom, electron density, and magnetism are also discussed.

Structure-to-property relationships in addition cured polymers. II - Resin Tg and composite initial mechanical properties of norbornenyl cured polyimide resins

NASA Technical Reports Server (NTRS)

Alston, William B.

1986-01-01

PRM (polymerization of monomeric reactants) methodology was used to prepare thirty different polyimide oligomeric resins. Monomeric composition as well as chain length between sites of crosslinks were varied to examine their effects on glass transition temperature (Tg) of the cured/postcured resins. An almost linear correlation of Tg versus molecular distance between the crosslinks was observed. An attempt was made to correlate Tg with initial mechanical properties (flexural strength and interlaminar shear strength) of unidirectional graphite fiber composites prepared with these resins. However, the scatter in mechanical strength data prevented obtaining as clear a correlation as was observed for the structural modification/crosslink distance versus Tg. Instead, only a range of composite mechanical properties was obtained at the test temperatures studied (room temperature, 288 and 316 C). Perhaps more importantly, what did become apparent during the attempted correlation study was: (1) that PMR methodology could be used to prepare composites from resins that contain a wide variety of monomer modifications, and (2) that these composites almost invariably provided satisfactory initial mechanical properties as long as the resins selected were melt processable.

Structure-to-property Relationships in Addition Cured Polymers 2: Resin Tg Composite Initial Mechanical Properties of Norbornenyl Cured Polyimide Resins

NASA Technical Reports Server (NTRS)

Alston, W. B.

1986-01-01

PRM (polymerization of monomeric reactants) methodology was used to prepare thirty different polyimide oligomeric resins. Monomeric composition as well as chain length between sites of crosslinks were varied to examine their effects on glass transition temperature (Tg) of the cured/postcured resins. An almost linear correlation of Tg versus molecular distance between the crosslinks was observed. An attempt was made to correlate Tg with initial mechanical properties (flexural strength and interlaminar shear strength) of unidirectional graphite fiber composites prepared with these resins. However, the scatter in mechanical strength data prevented obtaining as clear a correlation as was observed for the structural modification/crosslink distance versus Tg. Instead, only a range of composite mechanical properties was obtained at the test temperatures studied (room temperature, 288 and 316 C). Perhaps more importantly, what did become apparent during the attempted correlation study was: (1) that PMR methodology could be used to prepare composites from resins that contain a wide variety of monomer modifications, and (2) that these composites almost invariably provided satisfactory initial mechanical properties as long as the resins selected were melt processable.

Finger rafting: a generic instability of floating elastic sheets.

PubMed

Vella, Dominic; Wettlaufer, J S

2007-02-23

Colliding ice floes are often observed to form a series of interlocking fingers. We show that this striking phenomenon is not a result of some peculiar property of ice but rather a general and robust mechanical phenomenon reproducible in the laboratory with other floating materials. We determine the theoretical relationship between the width of the resulting fingers and the material's mechanical properties and present experimental results along with field observations to support the theory. The generality of this "finger rafting" suggests that analogous processes may be responsible for creating the large-scale structures observed at the boundaries between Earth's convergent tectonic plates.

`Fingerprint' Fine Structure in the Solar Decametric Radio Spectrum Solar Physics

NASA Astrophysics Data System (ADS)

Zlotnik, E. Y.; Zaitsev, V. V.; Melnik, V. N.; Konovalenko, A. A.; Dorovskyy, V. V.

2015-07-01

We study a unique fine structure in the dynamic spectrum of the solar radio emission discovered by the UTR-2 radio telescope (Kharkiv, Ukraine) in the frequency band of 20 - 30 MHz. The structure was observed against the background of a broadband type IV radio burst and consisted of parallel drifting narrow bands of enhanced emission and absorption on the background emission. The observed structure differs from the widely known zebra pattern at meter and decimeter wavelengths by the opposite directions of the frequency drift within a single stripe at a given time. We show that the observed properties can be understood in the framework of the radiation mechanism by virtue of the double plasma resonance effect in a nonuniform coronal magnetic trap. We propose a source model providing the observed frequency drift of the stripes.

Microwave properties of Ni-based ferromagnetic inverse opals

NASA Astrophysics Data System (ADS)

Kostylev, M.; Stashkevich, A. A.; Roussigné, Y.; Grigoryeva, N. A.; Mistonov, A. A.; Menzel, D.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Lukashin, A. V.; Grigoriev, S. V.; Samarin, S. N.

2012-11-01

Investigations of microwave properties of Ni-based inverse ferromagnetic opal-like film with the [111] axis of the fcc structure along the normal direction to the film have been carried out in the 2-18 GHz frequency band. We observed multiple spin wave resonances for the magnetic field applied perpendicular to the film, i.e., along the [111] axis of this artificial crystal. For the field applied in the film plane, a broad band of microwave absorption is observed, which does not contain a fine structure. The field ranges of the responses observed are quite different for these two magnetization directions. This suggests a collective magnetic ground state or shape anisotropy and collective microwave dynamics for this foam-like material. This result is in agreement with SQUID measurements of hysteresis loops for the material. Two different models for this collective behavior are suggested that satisfactorily explain the major experimental results.

Structural characterization of bioactive pectic polysaccharides from elderflowers (Sambuci flos).

PubMed

Ho, Giang Thanh Thi; Zou, Yuan-Feng; Aslaksen, Torun Helene; Wangensteen, Helle; Barsett, Hilde

2016-01-01

Elderflowers have traditionally been used and are still used for its anti-inflammatory property. Traditionally elderflowers were used as remedies against cold, flu and diuretic. The aim of this study was to relate the structure of pectic-polysaccharides from elderflowers to immunomodulating properties. Purified fractions obtained by gelfiltration and ion exchange chromatography of 50% ethanol, 50°C water and 100°C water extracts exhibited strong complement fixating activity and macrophage stimulating activity. Reduced bioactivity was observed after removal of arabinose and 1,3,6-Gal linkages by weak acid hydrolysis. Enhanced bioactivity was observed after removal of estergroups by NaOH. Relating linkage analysis to the results of the bioactivity tests, led to the assumption that the branched moieties of the arabinogalactans linked to rhamnogalacturonan region, is important for the immunomodulating activity seen in elderflowers. No cytotoxity was observed. Copyright © 2015 Elsevier Ltd. All rights reserved.

Frequency Selective Properties of Coaxial Transmission Lines Loaded with Combined Artificial Inclusions

PubMed Central

2014-01-01

The properties of a modified coaxial transmission line by periodic inclusions will be discussed. The introduction of split ring resonators, conductor stubs, air gaps, and combination of these gives rise to new frequency selective properties, such as stopband or passband behavior, observable in planar as well as volumetric metamaterial structures. These results envisage new potential applications and implementation of devices in coaxial transmission line technology. PMID:24587748

Charge frustration in complex fluids and in electronic systems

NASA Astrophysics Data System (ADS)

Carraro, Carlo

1997-02-01

The idea of charge frustration is applied to describe the properties of such diverse physical systems as oil-water-surfactant mixtures and metal-ammonia solutions. The minimalist charge-frustrated model possesses one energy scale and two length scales. For oil-water-surfactant mixtures, these parameters have been determined starting from the microscopic properties of the physical systems under study. Thus, microscopic properties are successfully related to the observed mesoscopic structure.

Lexical Analysis of the Verb "COOK" and Learning Vocabulary: A Corpus Study

ERIC Educational Resources Information Center

Priyono

2011-01-01

English verbs have built-in properties that determine how they behave syntactically and generate appropriate meaning associated. With these inherent properties some verbs can fill in only in certain syntactic structures and some in others. The observation of the verb "COOK" using English corpus has revealed its lexical properties…

Characterization of hydrophobic interaction and antioxidant properties of the phenothiazine nucleus in mitochondrial and model membranes.

PubMed

Borges, Marcelo B D; Dos Santos, Carolina G; Yokomizo, César H; Sood, Rohit; Vitovic, Pavol; Kinnunen, Paavo K J; Rodrigues, Tiago; Nantes, Iseli L

2010-09-01

The antioxidant properties of the phenothiazine nucleus (PHT) associated with mitochondrial membranes and liposomes were investigated. PHT exhibited hydrophobic interaction with lipid bilayers, as shown by the quenching of excited states of 1-palmitoyl-2[10-pyran-1-yl)]-decanoyl-sn-glycero-3-phophocholine (PPDPC) incorporated in phosphatidylcholine/phosphatidylethanolamine/cardiolipin liposomes, observed even in high ionic strength; and by the spectral changes of PHT following the addition of mitochondrial membranes. Inserted into bilayers, 5 microM PHT was able to protect lipids and cytochrome c against pro-oxidant agents and exhibited spectral changes suggestive of oxidative modifications promoted by the trapping of the reactive species. In this regard, PHT exhibited the ability to scavenge DPPH (2,2-diphenyl-1-picryl-hydrazyl-hydrate) free radical. PHT was also able to protect rat liver mitochondria against peroxide- and iron-induced oxidative damage and consequent swelling. At the concentration range in which the antioxidant properties were observed, PHT did not cause alterations in the membrane structure and function. This study contributes to the comprehension of the correlation structure and function of phenothiazines and antioxidant properties.

Multi-tip nano-prisms: Controlled growth and emission enhancement properties

NASA Astrophysics Data System (ADS)

Liu, Ming; Meng, Cong; Xue, Zheng-Hong; Xiong, Xiang; Shu, Da-Jun; Peng, Ru-Wen; Wu, Qiang; Hu, Zheng; Wang, Mu

2013-10-01

We report here the experimental observations that the tip topography of ZnO nano-prisms sensitively depends on the percentage of oxygen in the flux of the carrying gas in vapor growth. At a relatively high oxygen concentration, a number of thin filaments can be nucleated atop nano-prisms, forming a unique fish-spear-like multi-tip morphology. The length and density of the “spear tines” depend on the flux of the carrying gas. The field emission properties of the nanorod array with different tip morphology are investigated. The structures with longer and denser spear tines possess lower turn-on electric field and higher electric current density. The cathodoluminescence properties of the ZnO nano-prisms have also been studied. The luminescence related to defects in multi-tip nano-prisms possesses the strongest intensity, and the nanorod without any tine structure possesses the lowest defect luminescence intensity. The intrinsic luminescence of ZnO around 385 nm, however, has the opposite tendency. We suggest that our observation is inspiring in optimizing the emission properties of the nanowire devices.

Observations on the relationship of structure to the mechanical properties of thin TD-NiCr sheet

NASA Technical Reports Server (NTRS)

Whittenberger, J. D.

1976-01-01

A study of the relationship between structure and mechanical properties of thin TD-NiCr sheet indicated that the elevated temperature tensile, stress-rupture, and creep strength properties are dependent on grain aspect ratio and sheet thickness. In general, the strength properties increase with increasing grain aspect ratio and sheet thickness. Tensile testing revealed an absence of ductility at elevated temperatures (not less than 1144 K). Significant creep damage as determined by subsequent tensile testing at room temperature occurs after very small amounts (less than 0.1%) of prior creep deformation over the temperature range 1144-1477 K. A threshold stress for creep appears to exist. Creep exposure below the threshold stress at T not less than 1366 K results in almost full retention of room temperature tensile properties.

Chemical shielding properties for BN, BP, AlN, and AlP nanocones: DFT studies

NASA Astrophysics Data System (ADS)

Mirzaei, Mahmoud; Yousefi, Mohammad; Meskinfam, Masoumeh

2012-06-01

The properties of boron nitride (BN), boron phosphide (BP), aluminum nitride (AlN), and aluminum phosphide (AlP) nanocones were investigated by density functional theory (DFT) calculations. The investigated structures were optimized and chemical shielding (CS) properties including isotropic and anisotropic CS parameters were calculated for the atoms of the optimized structures. The magnitudes of CS parameters were observed to be mainly dependent on the bond lengths of considered atoms. The results indicated that the atoms could be divided into atomic layers due to the similarities of their CS properties for the atoms of each layer. The trend means that the atoms of each layer detect almost similar electronic environments. Moreover, the atoms at the apex and mouth of nanocones exhibit different properties with respect to the other atomic layers.

Magnetic and magneto-optical properties and domain structure of Co/Pd multilayers

NASA Technical Reports Server (NTRS)

Gadetsky, S.; Wu, Teho; Suzuki, T.; Mansuripur, M.

1993-01-01

The domain structure of Co/Pd(1.6/6.3 A)xN multilayers and its relation to the bulk magnetic properties of the samples were studied. The Co/Pd multilayers were deposited by rf and dc magnetron sputtering onto different substrates. It was found that magnetic and magnetooptical properties and domain structure of the multilayers were affected by total film thickness and substrate condition. Magnetization, coercivity, and anisotropy of the films decreased significantly as the film thickness dropped below 100 A. However, Kerr rotation angle had a maximum at the same thickness. The width of the domain structure increased with the decrease of the film thickness attaining the single domain state at N = 10. The initial curves in Co/Pd multilayers were found to depend on demagnetization process. The samples demagnetized by inplane field showed the largest difference between initial curves and the corresponding parts of the loops. Different domain structures were observed in the samples demagnetized by perpendicular and in-plane magnetic fields.

Enhanced conductivity at orthorhombic–rhombohedral phase boundaries in BiFeO 3 thin films

DOE PAGES

Heo, Yooun; Lee, Jin Hong; Xie, Lin; ...

2016-08-26

Enhanced properties in modern functional materials can often be found at structural transition regions, such as morphotropic phase boundaries (MPB), owing to the coexistence of multiple phases with nearly equivalent energies. Strain-engineered MPBs have emerged in epitaxially grown BiFeO 3 (BFO) thin films by precisely tailoring a compressive misfit strain, leading to numerous intriguing phenomena, such as a massive piezoelectric response, magnetoelectric coupling, interfacial magnetism and electronic conduction. Recently, an orthorhombic–rhombohedral (O–R) phase boundary has also been found in tensile-strained BFO. In this study, we characterise the crystal structure and electronic properties of the two competing O and R phasesmore » using X-ray diffraction, scanning probe microscope and scanning transmission electron microscopy (STEM). We observe the temperature evolution of R and O domains and find that the domain boundaries are highly conductive. Temperature-dependent measurements reveal that the conductivity is thermally activated for R–O boundaries. STEM observations point to structurally wide boundaries, significantly wider than in other systems. Furthermore, we reveal a strong correlation between the highly conductive domain boundaries and structural material properties. These findings provide a pathway to use phase boundaries in this system for novel nanoelectronic applications.« less

The effect of carbon black loading and structure on tensile property of natural rubber composite

NASA Astrophysics Data System (ADS)

Savetlana, S.; Zulhendri; Sukmana, I.; Saputra, F. A.

2017-07-01

Natural rubber composite has been continuously developed due to its advantages such as a good combination of strength and damping property. Most of carbon black (CB)/Natural Rubber (NR) composite were used as material in tyre industry. The addition of CB in natural rubber is very important to enhance the strength of natural rubber. The particle loading and different structure of CB can affect the composite strength. The effects of CB particle loading of 20, 25 and 30 wt% and the effects of CB structures of N220, N330, N550 and N660 series on tensile property of composite were investigated. The result shows that the tensile strength and elastic modulus of natural rubber/CB composite was higher than pure natural rubber. From SEM observation the agglomeration of CB aggregate increases with particle loading. It leads to decrease of tensile strength of composite as more particle was added. High structure of CB particle i.e. N220 resulted in highest tensile stress. In fact, composite reinforced by N660 CB particle shown a comparable tensile strength and elastic modulus with N220 CB particle. SEM observation shows that agglomeration of CB aggregates of N330 and N550 results in lower stress of associate NR/CB composite.

Effect of annealing temperature on the structural and optical properties of CeO{sub 2}:Ni thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murugan, R.; Vijayaprasath, G.; Sakthivel, P.

2016-05-06

High quality Ni-doped CeO{sub 2} (CeO{sub 2}:Ni) thin films were deposited on glass substrates at room temperature by using radio frequency magnetron sputtering. The effect of annealing temperature on structural and optical properties of the CeO{sub 2}:Ni films was investigated. The structural, optical and vibrational properties of the films were determined using X-ray diffraction (XRD), photoluminescence spectrometer (PL) and Raman spectrometer. It was found that the as-deposited film has a fluorite cubic structure. By increasing annealing temperature from 100°C to 300°C, the crystalline quality of the thin films could be improved. The UV and visible band emissions were observed inmore » the photoluminescence spectra, due to exciton, defect related emissions respectively. The micro-Raman results show the characteristic peak of CeO{sub 2} F{sub 2g} at 465 cm{sup −1} and 2L0 at 1142 cm{sup −1}. Defect peaks like D and 0 bands were observed at 641 cm{sup −1} and 548 cm{sup −1} respectively. It is found from the spectra that the peak intensity of the films increased with increase of annealing temperature.« less

Effect of γ-radiation on free radicals formation, structural changes and functional properties of wheat starch.

PubMed

Atrous, Hager; Benbettaieb, Nasreddine; Hosni, Faouzi; Danthine, Sabine; Blecker, Christophe; Attia, Hamadi; Ghorbel, Dorra

2015-09-01

Wheat starch was treated by different γ-radiation doses (3, 5, 10, 20, 35 and 50 kGy). The effects of γ-radiation on structural, thermal, physicochemical, morphological and rheological properties of wheat starch were studied. The presence of free radicals after γ-radiation treatment, which number decreased with time was confirmed. Structural analysis revealed decreases in the intensities of the O-H and C-H stretches and glycosidic linkages indicating the depolymerization of amylose and probably amylopectin into shorter chain molecules, but showed that γ-radiation treatment did not affect the crystalline structure. Differential scanning calorimetric (DSC) thermograms showed the absence of significant differences in the gelatinization temperatures, as well as the corresponding transition enthalpies since the DSC parameters are related to the crystalline ordering within the granules. Apparent amylose content decreased linearly with increasing irradiation dose leading to an increase in water solubility index. An increase in the swelling power was observed after irradiation treatment until 20 kGy, followed by a rapid decrease at higher doses. Microscopic observations showed that the effect of γ-radiation was more visible on starch pastes than on starch granules. Rheological properties of the starch pastes decreased with increasing irradiation dose as a result of glycosidic bond cleavage. Copyright © 2015 Elsevier B.V. All rights reserved.

Machine learning for the structure-energy-property landscapes of molecular crystals.

PubMed

Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

2018-02-07

Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

Microstructural, optical and dielectric properties of La{sub 0.8}Ba{sub 0.2}FeO{sub 3} nanostructures synthesized by sol-gel combustion method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ali, S. Asad, E-mail: asadsyyed@gmail.com; Naseem, Swaleha; Khan, Wasi

2015-06-24

Barium doped lanthanum ferrite (LaFeO{sub 3}) nanoparticles (NPs) were prepared by gel combustion method and calcinated at 700°C. Microstructural studies were carried by XRD and SEM techniques. The results of structural characterization show the formation of all samples in single phase without any impurity. Optical properties were studied by UV- visible technique. The energy band gap was calculated and obtained 3.01 eV. Dielectric properties characterized by LCR meter and have been observed appreciable changes. The observed behavior of the dielectric properties can be attributed on the basis of Koop’s theory based on Maxwell-Wagner two layer models in studied nanoparticles.

Ab initio theory of point defects in oxide materials: structure, properties, chemical reactivity

NASA Astrophysics Data System (ADS)

Pacchioni, Gianfranco

2000-05-01

Point defects play a fundamental role in determining the physical and chemical properties of inorganic materials. This holds not only for the bulk properties but also for the surface of oxides where several kinds of point defects exist and exhibit a rich and complex chemistry. A particularly important defect in oxides is the oxygen vacancy. Depending on the electronic structure of the material the nature of oxygen vacancies changes dramatically. In this article we provide a rationalization of the very different electronic structure of neutral and charged oxygen vacancies in SiO 2 and MgO, two oxide materials with completely different electronic structure (from very ionic, MgO, to largely covalent, SiO 2). We used methods of ab initio quantum chemistry, from density functional theory (DFT) to configuration interaction (CI), to determine the ground and excited state properties of these defects. The theoretical results are combined with recent spectroscopic measurements. A series of observable properties has been determined in this way: defect formation energies, hyperfine interactions in electron paramagnetic resonance (EPR) spectra of paramagnetic centers, optical spectra, surface chemical reactivity. The interplay between experimental and theoretical information allows one to unambiguously identify the structure of oxygen vacancies in these binary oxides and on their surfaces.

Designing functionality in perovskite thin films using ion implantation techniques: Assessment and insights from first-principles calculations

DOE PAGES

Sharma, Vinit K.; Herklotz, Andreas; Ward, Thomas Zac; ...

2017-09-11

Ion implantation has been widely used in the semiconductor industry for decades to selectively control electron/hole doping for device applications. Recently, experimental studies on ion implantation into more structurally and electronically complex materials have been undertaken in which defect generation has been used to control a variety of functional phenomena. Of particular interest, are recent findings demonstrating that low doses of low energy helium ions into single crystal films can be used to tailor the structural properties. These initial experimental studies have shown that crystal symmetry can be continuously controlled by applying increasingly large doses of He ions into amore » crystal. The observed changes in lattice structure were then observed to correlate with functional changes, such as metal-insulator transition temperature2 and optical bandgap3. In these preliminary experimental studies, changes to lattice expansion was proposed to be the direct result of chemical pressure originating predominantly from the implanted He applying chemical pressure at interstitial sites. However, the influence of possible secondary knock-on damage arising from the He atoms transferring energy to the lattice through nuclear-nuclear collision with the crystal lattice remains largely unaddressed. In this work, we focus on a SrRuO3 model system to provide a comprehensive examination of the impact of common defects on structural and electronic properties, obtain calculated defect formation energies, and define defect migration barriers. Our model indicates that, while interstitial He can modify the crystal properties, a dose significantly larger than those reported in experimental studies would be required. The true origin of the observed structural changes is likely the result of a combination of secondary defects created during He implantation. Of particular importance, we observe that different defect types can generate greatly varied local electronic structures and that the formation energies and migration energy barriers vary by defect type. Thus, we may have identified a new method of selectively inducing controlled defect complexes into single crystal materials. Development of this approach would have a broad impact on both our ability to probe specific defect contributions in fundamental studies and allow a new level of control over functional properties driven by specific defect complexes.« less

Catalytic chemical vapor deposition synthesis and electron microscopy observation of coiled carbon nanotubes

NASA Astrophysics Data System (ADS)

Xie, Jining; Mukhopadyay, K.; Yadev, J.; Varadan, V. K.

2003-10-01

Coiled carbon nanotubes exhibit excellent mechanical and electrical properties because of the combination of coil morphology and properties of nanotubes. They could have potential novel applications in nanocomposites and nano-electronic devices as well as nano-electromechanical systems. In this work, synthesis of regularly coiled carbon nanotubes is presented. It involves pyrolysis of hydrocarbon gas over metal/support catalyst by both thermal filament and microwave catalytic chemical vapor deposition methods. Scanning electron microscopy and transmission electron microscopy were performed to observe the coil morphology and nanostructure of coiled nanotubes. The growth mechanism and structural and electrical properties of coiled carbon nanotubes are also discussed.

Effects of silver impurity on the structural, electrical, and optical properties of ZnO nanowires

PubMed Central

2011-01-01

1, 3, and 5 wt.% silver-doped ZnO (SZO) nanowires (NWs) are grown by hot-walled pulsed laser deposition. After silver-doping process, SZO NWs show some change behaviors, including structural, electrical, and optical properties. In case of structural property, the primary growth plane of SZO NWs is switched from (002) to (103) plane, and the electrical properties of SZO NWs are variously measured to be about 4.26 × 106, 1.34 × 106, and 3.04 × 105 Ω for 1, 3, and 5 SZO NWs, respectively. In other words, the electrical properties of SZO NWs depend on different Ag ratios resulting in controlling the carrier concentration. Finally, the optical properties of SZO NWs are investigated to confirm p-type semiconductor by observing the exciton bound to a neutral acceptor (A0X). Also, Ag presence in ZnO NWs is directly detected by both X-ray photoelectron spectroscopy and energy dispersive spectroscopy. These results imply that Ag doping facilitates the possibility of changing the properties in ZnO NWs by the atomic substitution of Ag with Zn in the lattice. PMID:21985620

The structural and electronic properties of amorphous HgCdTe from first-principles calculations

NASA Astrophysics Data System (ADS)

Zhao, Huxian; Chen, Xiaoshuang; Lu, Jianping; Shu, Haibo; Lu, Wei

2014-01-01

Amorphous mercury cadmium telluride (a-MCT) model structures, with x being 0.125 and 0.25, are obtained from first-principles calculations. We generate initial structures by computation alchemy method. It is found that most atoms in the network of amorphous structures tend to be fourfold and form tetrahedral structures, implying that the chemical ordered continuous random network with some coordination defects is the ideal structure for a-MCT. The electronic structure is also concerned. The gap is found to be 0.30 and 0.26 eV for a-Hg0.875Cd0.125Te and a-Hg0.75Cd0.25Te model structures, independent of the composition. By comparing with the properties of crystalline MCT with the same composition, we observe a blue-shift of energy band gap. The localization of tail states and its atomic origin are also discussed.

Pressure-induced structural and electronic transitions, metallization, and enhanced visible-light responsiveness in layered rhenium disulphide

NASA Astrophysics Data System (ADS)

Wang, Pei; Wang, Yonggang; Qu, Jingyu; Zhu, Qiang; Yang, Wenge; Zhu, Jinlong; Wang, Liping; Zhang, Weiwei; He, Duanwei; Zhao, Yusheng

2018-06-01

Triclinic rhenium disulphide (Re S2 ) is a promising candidate for postsilicon electronics because of its unique optic-electronic properties. The electrical and optical properties of Re S2 under high pressure, however, remain unclear. Here we present a joint experimental and theoretical study on the structure, electronic, and vibrational properties, and visible-light responses of Re S2 up to 50 GPa. There is a direct-to-indirect band-gap transition in 1 T -Re S2 under low-pressure regime up to 5 GPa. Upon further compression, 1 T -Re S2 undergoes a structural transition to distorted-1 T' phase at 7.7 GPa, followed by the isostructural metallization at 38.5 GPa. Both in situ Raman spectrum and electronic structure analysis reveal that interlayer sulfur-sulfur interaction is greatly enhanced during compression, leading to the remarkable modifications on the electronic properties observed in our subsequent experimental measurements, such as band-gap closure and enhanced photoresponsiveness. This study demonstrates the critical role of pressure in tuning materials properties and the potential usage of layered Re S2 for pressure-responsive optoelectronic applications.

Nanoscale structural and functional mapping of nacre by scanning probe microscopy techniques

NASA Astrophysics Data System (ADS)

Zhou, Xilong; Miao, Hongchen; Li, Faxin

2013-11-01

Nacre has received great attention due to its nanoscale hierarchical structure and extraordinary mechanical properties. Meanwhile, the nanoscale piezoelectric properties of nacre have also been investigated but the structure-function relationship has never been addressed. In this work, firstly we realized quantitative nanomechanical mapping of nacre of a green abalone using atomic force acoustic microscopy (AFAM). The modulus of the mineral tablets is determined to be ~80 GPa and that of the organic biopolymer no more than 23 GPa, and the organic-inorganic interface width is determined to be about 34 +/- 9 nm. Then, we conducted both AFAM and piezoresponse force microscopy (PFM) mapping in the same scanning area to explore the correlations between the nanomechanical and piezoelectric properties. The PFM testing shows that the organic biopolymer exhibits a significantly stronger piezoresponse than the mineral tablets, and they permeate each other, which is very difficult to reproduce in artificial materials. Finally, the phase hysteresis loops and amplitude butterfly loops were also observed using switching spectroscopy PFM, implying that nacre may also be a bio-ferroelectric material. The obtained nanoscale structural and functional properties of nacre could be very helpful in understanding its deformation mechanism and designing biomimetic materials of extraordinary properties.

Structural and electrical properties of sputter deposited ZnO thin films

NASA Astrophysics Data System (ADS)

Muhammed Shameem P., V.; Mekala, Laxman; Kumar, M. Senthil

2018-05-01

The growth of zinc oxide thin films having different oxygen content was achieved at ambient temperature by reactive dc magnetron sputtering technique and their structural and electrical properties are studied. The structural studies show that the films are polycrystalline with a preferential orientation of the grains along the c-axis [002], which increases with increase in oxygen partial pressure. The grain size and the surface roughness of the zinc oxide films are found to decrease with increasing oxygen partial pressure. It is observed that the resistivity of the zinc oxide films can be tuned from semiconducting to insulating regime by varying the oxygen content.

Electron transport in polycyclic aromatic hydrocarbons/boron nitride hybrid structures: density functional theory combined with the nonequilibrium Green's function.

PubMed

Panahi, S F K S; Namiranian, Afshin; Soleimani, Maryam; Jamaati, Maryam

2018-02-07

We investigate the electronic transport properties of two types of junction based on single polyaromatic hydrocarbons (PAHs) and PAHs embedded in boron nitride (h-BN) nanoribbons, using nonequilibrium Green's functions (NEGF) and density functional theory (DFT). In the PAH junctions, a Fano resonance line shape at the Fermi energy in the transport feature can be clearly seen. In hybrid junctions, structural asymmetries enable interactions between the electronic states, leading to observation of interface-based transport. Our findings reveal that the interface of PAH/h-BN strongly affects the transport properties of the structures.

First-principles calculations of the structural, electronic, optical and thermal properties of the BNxAs1-x alloys

NASA Astrophysics Data System (ADS)

Hamioud, L.; Boumaza, A.; Touam, S.; Meradji, H.; Ghemid, S.; El Haj Hassan, F.; Khenata, R.; Omran, S. Bin

2016-06-01

The present paper aims to study the structural, electronic, optical and thermal properties of the boron nitride (BN) and BAs bulk materials as well as the BNxAs1-x ternary alloys by employing the full-potential-linearised augmented plane wave method within the density functional theory. The structural properties are determined using the Wu-Cohen generalised gradient approximation that is based on the optimisation of the total energy. For band structure calculations, both the Wu-Cohen generalised gradient approximation and the modified Becke-Johnson of the exchange-correlation energy and potential, respectively, are used. We investigated the effect of composition on the lattice constants, bulk modulus and band gap. Deviations of the lattice constants and the bulk modulus from the Vegard's law and the linear concentration dependence, respectively, were observed for the alloys where this result allows us to explain some specific behaviours in the electronic properties of the alloys. For the optical properties, the calculated refractive indices and the optical dielectric constants were found to vary nonlinearly with the N composition. Finally, the thermal effect on some of the macroscopic properties was predicted using the quasi-harmonic Debye model in which the lattice vibrations are taken into account.

Microstructure evolution and tensile properties of Zr-2.5wt%Nb pressure tubes processed from billets with different microstructures

NASA Astrophysics Data System (ADS)

Kapoor, K.; Saratchandran, N.; Muralidharan, K.

1999-02-01

Starting with identical ingots, billets having different microstructures were obtained by three different processing methods for fabrication of Zr-2.5wt%Nb pressure tubes. The billets were further processed by hot extrusion and cold Pilger tube reducing to the finished product. Microstructural characterization was done at each stage of processing. The effects of the initial billet microstructure on the intermediate and final microstructure and mechanical property results were determined. It was found that the structure at each stage and the final mechanical properties depend strongly on the initial billet microstructure. The structure at the final stage consists of elongated alpha zirconium grains with a network of metastable beta zirconium phase. Some of this metastable phase transforms into stable beta niobium during thermomechanical processing. Billets with quenched structure resulted in less beta niobium at the final stage. The air cooled billets resulted in a large amount of beta niobium. The tensile properties, especially the percentage elongation, were found to vary for the different methods. Higher percentage elongation was observed for billets having quenched structure. Extrusion and forging did not produce any characteristic differences in the properties. The results were used to select a process flow sheet which yields the desired mechanical properties with suitable microstructure in the final product.

Periodic chiral structures

NASA Technical Reports Server (NTRS)

Jaggard, Dwight L.; Engheta, Nader; Pelet, Philippe; Liu, John C.; Kowarz, Marek W.; Kim, Yunjin

1989-01-01

The electromagnetic properties of a structure that is both chiral and periodic are investigated using coupled-mode equations. The periodicity is described by a sinusoidal perturbation of the permittivity, permeability, and chiral admittance. The coupled-mode equations are derived from physical considerations and used to examine bandgap structure and reflected and transmitted fields. Chirality is observed predominantly in transmission, whereas periodicity is present in both reflection and transmission.

Effect of Surface and Defect Chemistry on the Photocatalytic Properties of Intentionally Defect-Rich ZnO Nanorod Arrays.

PubMed

Kegel, Jan; Zubialevich, Vitaly Z; Schmidt, Michael; Povey, Ian M; Pemble, Martyn E

2018-05-30

Due to the abundance of intrinsic defects in zinc oxide (ZnO), the material properties are often governed by same. Knowledge of the defect chemistry has proven to be highly important, especially in terms of the photocatalytic degradation of pollutants. Given the fact that defect-free materials or structures exhibiting only one type of defect are extremely difficult to produce, it is necessary to evaluate what influence various defects may have when present together in the material. In this study, intentionally defect-rich ZnO nanorod (NR) arrays are grown using a simple low-temperature solution-based growth technique. Upon changing the defect chemistry using rapid thermal annealing (RTA) the material properties are carefully assessed and correlated to the resulting photocatalytic properties. Special focus is put on the investigation of these properties for samples showing strong orange photoluminescence (PL). It is shown that intense orange emitting NR arrays exhibit improved dye-degradation rates under UV-light irradiation. Furthermore, strong dye-adsorption has been observed for some samples. This behavior is found to stem from a graphitic surface structure (e.g., shell) formed during RTA in vacuum. Since orange-luminescent samples also exhibit an enhancement of the dye adsorption a possible interplay and synergy of these two defects is elucidated. Additionally, evidence is presented suggesting that in annealed ZnO NRs structural defects may be responsible for the often observed PL emission at 3.31 eV. However, a clear correlation with the photocatalytic properties could not be established for these defects. Building on the specific findings presented here, this study also presents some more general guidelines which, it is suggested, should be employed when assessing the photocatalytic properties of defect-rich ZnO.

Observation of Wakefield Suppression in a Photonic-Band-Gap Accelerator Structure

DOE PAGES

Simakov, Evgenya I.; Arsenyev, Sergey A.; Buechler, Cynthia E.; ...

2016-02-10

We report experimental observation of higher order mode (HOM) wakefield suppression in a room-temperature traveling-wave photonic band gap (PBG) accelerating structure at 11.700 GHz. It has been long recognized that PBG structures have potential for reducing long-range wakefields in accelerators. The first ever demonstration of acceleration in a room-temperature PBG structure was conducted in 2005. Since then, the importance of PBG accelerator research has been recognized by many institutions. However, the full experimental characterization of the wakefield spectrum and demonstration of wakefield suppression when the accelerating structure is excited by an electron beam has not been performed to date. Wemore » conducted an experiment at the Argonne Wakefield Accelerator (AWA) test facility and observed wakefields excited by a single high charge electron bunch when it passes through a PBG accelerator structure. Lastly, excellent HOM suppression properties of the PBG accelerator were demonstrated in the beam test.« less

Cellular structure of lean hydrogen flames in microgravity

NASA Technical Reports Server (NTRS)

Patnaik, G.; Kailasanath, K.

1990-01-01

Detailed, time-dependent, two-dimensional numerical simulations of premixed laminar flames have been used to study the initiation and subsequent development of cellular structures in lean hydrogen-air flames. The model includes detailed hydrogen-oxygen combustion with 24 elementary reactions of eight reactive species and a nitrogen diluent, molecular diffusion of all species, thermal conduction, viscosity, and convection. This model has been used to study the nonlinear evolution of cellular flame structure and shows that cell splitting, as observed in experiments, can be predicted numerically for sufficiently reactive mixtures. The structures that evolved also resembled the cellular structures observed in experiments. The present study shows that the 'cell-split limit' postulated from experimental observations is an intrinsic property of the mixture and that external factors such as heat losses are not necessary to cause this limit.

Three Dimensional Characterization of Typical Urban and Desert Particles: Implications to Particle Optics

NASA Astrophysics Data System (ADS)

Goel, V.; Mishra, S.; Ahlawat, A. S.; Sharma, C.; Kotnala, R. K.

2017-12-01

Aerosol particles are generally considered as chemically homogeneous spheres in the retrieval techniques of ground and space borne observations which is not accurate approach and can lead to erroneous observations. For better simulation of optical and radiative properties of aerosols, a good knowledge of aerosol's morphology, chemical composition and internal structure is essential. Till date, many studies have reported the morphology and chemical composition of particles but very few of them provide internal structure and spatial distribution of different chemical species within the particle. The research on the effect of particle internal structure and its contribution to particle optics is extremely limited. In present work, we characterize the PM10 particles collected form typical arid (the Thar Desert, Rajasthan, India) and typical urban (New Delhi, India) environment using microscopic techniques. The particles were milled several times to investigate their internal structure. The EDS (Energy Dispersive X-ray Spectroscopy) spectra were recorded after each milling to check the variation in the chemical composition. In arid environment, Fe, Ca, C, Al, and Mg rich shell was observed over a Si rich particle whereas in urban environment, shell of Hg, Ag, C and N was observed over a Cu rich particle. Based on the observations, different model shapes [homogenous sphere and spheroid; heterogeneous sphere and spheroid; core shell] have been considered for assessing the associated uncertainties with the routine modeling of optical properties where volume equivalent homogeneous sphere approximation is considered. The details will be discussed during presentation.

Magnetic and structural properties of Mn1-xCrxAlGe (0 ≤ x ≤ 1.0)

NASA Astrophysics Data System (ADS)

Masumitsu, Hayato; Yoshinaga, Soshi; Mitsui, Yoshifuru; Umetsu, Rie Y.; Hiroi, Masahiko; Uwatoko, Yoshiya; Koyama, Keiichi

2018-06-01

The magnetic and structural properties of Mn1-xCrxAlGe (0 ≤ x ≤ 1.0) compounds were investigated. The spontaneous magnetization Ms and Curie temperature TC of Mn1-xCrxAlGe has a cusp at x = 0.2. The maximum values of Ms and TC are 1.74 μB/f.u. and 601 K, respectively. It was found that the tetragonal Cu2Sb-type structure was stable for 0 ≤ x ≤ 0.75, whereas orthorhombic TiSi2-type structure was observed for x ≥ 0.8. The reciprocal susceptibility as a function of temperature suggested that the magnetic moment of Cr is antiferromagnetically coupled with that of Mn in Cu2Sb-type structure.

Beyond lognormal inequality: The Lorenz Flow Structure

NASA Astrophysics Data System (ADS)

Eliazar, Iddo

2016-11-01

Observed from a socioeconomic perspective, the intrinsic inequality of the lognormal law happens to manifest a flow generated by an underlying ordinary differential equation. In this paper we extend this feature of the lognormal law to a general ;Lorenz Flow Structure; of Lorenz curves-objects that quantify socioeconomic inequality. The Lorenz Flow Structure establishes a general framework of size distributions that span continuous spectra of socioeconomic states ranging from the pure-communism extreme to the absolute-monarchy extreme. This study introduces and explores the Lorenz Flow Structure, analyzes its statistical properties and its inequality properties, unveils the unique role of the lognormal law within this general structure, and presents various examples of this general structure. Beyond the lognormal law, the examples include the inverse-Pareto and Pareto laws-which often govern the tails of composite size distributions.

Correlation between oxygen stoichiometry, structure, and opto-electrical properties in amorphous In2O3:H films

NASA Astrophysics Data System (ADS)

Koida, Takashi; Shibata, Hajime; Kondo, Michio; Tsutsumi, Koichi; Sakaguchi, Akio; Suzuki, Michio; Fujiwara, Hiroyuki

2012-03-01

We have characterized amorphous In2O3:H (H : ˜4 at.%) transparent conducting films by Rutherford backscattering spectrometry (RBS), thermal desorption spectroscopy, spectroscopic ellipsometry, and Hall measurements. The amorphous In2O3:H films have been fabricated at room temperature by sputtering of an In2O3 ceramic target under Ar, O2, and H2O vapor with variation of a flow ratio r(O2) = O2/(O2+Ar). We observe (i) signals originating from Ar in RBS spectra for all the films and (ii) desorption of H2O and Ar gases during post thermal annealing of the films. Furthermore, O2 desorption together with H2O and Ar is observed for the films grown at r(O2) > 0.375%, whereas In desorption together with H2O and Ar is observed for the films grown at r(O2) < 0.375%. These results suggest that the films have void and/or multi-vacancy rich structures inside the amorphous network, and the variety of atoms, such as Ar, H2O, and weakly bonded O and In, is present in the void structures for the films grown at O2-rich and O2-poor conditions, respectively. Corresponding to the structural changes, optical and electrical properties also change at r(O2) = 0.375%. For the films grown at r(O2) < 0.375%, we observe a broad absorption in the visible wavelengths that cannot be explained by free carrier absorption. In this film, the carrier mobility reduces rapidly with increasing carrier density. Analysis of spectroscopic ellipsometry and Hall measurements reveals that a large decrease in mobility is due to a large increase in carrier effective mass, in addition to the effect of ionized impurity scattering. In this article, we discuss the optical and transport properties with the variation of oxygen stoichiometry and microscopic structures in the amorphous In2O3:H films.

Mechanical properties of additively manufactured octagonal honeycombs.

PubMed

Hedayati, R; Sadighi, M; Mohammadi-Aghdam, M; Zadpoor, A A

2016-12-01

Honeycomb structures have found numerous applications as structural and biomedical materials due to their favourable properties such as low weight, high stiffness, and porosity. Application of additive manufacturing and 3D printing techniques allows for manufacturing of honeycombs with arbitrary shape and wall thickness, opening the way for optimizing the mechanical and physical properties for specific applications. In this study, the mechanical properties of honeycomb structures with a new geometry, called octagonal honeycomb, were investigated using analytical, numerical, and experimental approaches. An additive manufacturing technique, namely fused deposition modelling, was used to fabricate the honeycomb from polylactic acid (PLA). The honeycombs structures were then mechanically tested under compression and the mechanical properties of the structures were determined. In addition, the Euler-Bernoulli and Timoshenko beam theories were used for deriving analytical relationships for elastic modulus, yield stress, Poisson's ratio, and buckling stress of this new design of honeycomb structures. Finite element models were also created to analyse the mechanical behaviour of the honeycombs computationally. The analytical solutions obtained using Timoshenko beam theory were close to computational results in terms of elastic modulus, Poisson's ratio and yield stress, especially for relative densities smaller than 25%. The analytical solutions based on the Timoshenko analytical solution and the computational results were in good agreement with experimental observations. Finally, the elastic properties of the proposed honeycomb structure were compared to those of other honeycomb structures such as square, triangular, hexagonal, mixed, diamond, and Kagome. The octagonal honeycomb showed yield stress and elastic modulus values very close to those of regular hexagonal honeycombs and lower than the other considered honeycombs. Copyright © 2016 Elsevier B.V. All rights reserved.

Mechanical and structural characterizations of gamma- and alpha-alumina nanofibers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vahtrus, Mikk; Umalas, Madis; Polyakov, Boris

2015-09-15

We investigate the applicability of alumina nanofibers as a potential reinforcement material in ceramic matrix compounds by comparing the mechanical properties of individual nanofibers before and after annealing at 1400 °C. Mechanical testing is performed inside a scanning electron microscope (SEM), which enables observation in real time of the deformation and fracture of the fibers under loading, thereby providing a close-up inspection of the freshly fractured area in vacuum. Improvement of both the Young's modulus and the breaking strength for annealed nanofibers is demonstrated. Mechanical testing is supplemented with the structural characterization of the fibers before and after annealing usingmore » SEM, transmission electron microscopy and X-ray diffraction methods. - Highlights: • Mechanical properties of individual alumina nanofibers were measured using in situ SEM cantilevered beam bending technique. • Improvement of mechanical properties of the alumina fibers after annealing at 1400 °C is demonstrated. • Formation of branched structures is demonstrated and their mechanical properties are studied. • XRD and electron microscopy were used for structural characterization of untreated and annealed nanofibers.« less

Crystal structure and cation exchanging properties of a novel open framework phosphate of Ce (IV)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bevara, Samatha; Achary, S. N., E-mail: sachary@barc.gov.in; Tyagi, A. K.

2016-05-23

Herein we report preparation, crystal structure and ion exchanging properties of a new phosphate of tetravalent cerium, K{sub 2}Ce(PO{sub 4}){sub 2}. A monoclinic structure having framework type arrangement of Ce(PO{sub 4}){sub 6} units formed by C2O{sub 8} square-antiprism and PO{sub 4} tetrahedra is assigned for K{sub C}e(PO{sub 4}){sub 2}. The K{sup +} ions are occupied in the channels formed by the Ce(PO{sub 4})6 and provide overall charge neutrality. The unique channel type arrangements of the K+ make them exchangeable with other cations. The ion exchanging properties of K2Ce(PO4)2 has been investigated by equilibrating with solution of 90Sr followed by radiometricmore » analysis. In optimum conditions, significant exchange of K+ with Sr2+ with Kd ~ 8000 mL/g is observed. The details of crystal structure and ion exchange properties are explained and a plausible mechanism for ion exchange is presented.« less

Optical and structural properties of Mo-doped NiTiO3 materials synthesized via modified Pechini methods

NASA Astrophysics Data System (ADS)

Pham, Thanh-Truc; Kang, Sung Gu; Shin, Eun Woo

2017-07-01

In this study, molybdenum (Mo)-doped nickel titanate (NiTiO3) materials were successfully synthesized as a function of Mo content through a modified Pechini method followed by a solvothermal treatment process. Various characterization methods were employed to investigate the optical and structural properties of the materials. XRD patterns clearly showed that the NiTiO3 structure maintained a single phase with no observed crystalline structure transformations, even after the addition of 10 wt.% Mo. In the Raman spectra and XRD patterns, peak positions shifted with a change in Mo content, confirming that the NiTiO3 lattice was doped with Mo. On the other hand, Mo doping of NiTiO3 materials changed their optical properties. DRS-UV demonstrated that the addition of Mo increased photon absorption within the UV region. Relaxation processes were inhibited by Mo doping, which was evident in the PL spectra. Structural properties of the prepared materials were studied via FE-SEM and HR-TEM. The measured surface area increased proportionally with Mo content due to a reduction in grain size of the materials.

Laser induced surface structuring of Cu for enhancement of field emission properties

NASA Astrophysics Data System (ADS)

Akram, Mahreen; Bashir, Shazia; Jalil, Sohail Abdul; Shahid Rafique, Muhammad; Hayat, Asma; Mahmood, Khaliq

2018-02-01

The effect of Nd:YAG (1064 nm, 10 ns, 10 Hz) laser induced surface structuring of copper (Cu) for enhancement of field emission (FE) properties has been investigated. X-ray diffraction analysis was employed to investigate the surface structural and compositional modifications. The surface structuring was explored by scanning electron microscope investigation. FE properties were studied under UHV conditions in a parallel plate configuration of planar un-irradiated Cu anode and laser irradiated Cu cathode. The Fowler-Nordheim plots were drawn to confirm the dominance of FE behavior of the measured I-V characteristics. The obtained values of turn-on field ‘E o’, field enhancement factor ‘β’ and maximum current density ‘J max’ come out to be to be in the range of 5.5-8.5 V μm-1, 1380-2730 and 147-375 μA cm-2 respectively for the Cu samples irradiated at laser irradiance ranging from 13 to 50 GW cm-2. The observed enhancement in the FE properties has been correlated with the growth of various surface structures such as ridged protrusions, cones and pores/tiny holes. The porous morphology is found to be responsible for a significant enhancement in the FE parameters.

Jet-torus connection in radio galaxies. Relativistic hydrodynamics and synthetic emission

NASA Astrophysics Data System (ADS)

Fromm, C. M.; Perucho, M.; Porth, O.; Younsi, Z.; Ros, E.; Mizuno, Y.; Zensus, J. A.; Rezzolla, L.

2018-01-01

Context. High resolution very long baseline interferometry observations of active galactic nuclei have revealed asymmetric structures in the jets of radio galaxies. These asymmetric structures may be due to internal asymmetries in the jets or they may be induced by the different conditions in the surrounding ambient medium, including the obscuring torus, or a combination of the two. Aims: In this paper we investigate the influence of the ambient medium, including the obscuring torus, on the observed properties of jets from radio galaxies. Methods: We performed special-relativistic hydrodynamic (SRHD) simulations of over-pressured and pressure-matched jets using the special-relativistic hydrodynamics code Ratpenat, which is based on a second-order accurate finite-volume method and an approximate Riemann solver. Using a newly developed radiative transfer code to compute the electromagnetic radiation, we modelled several jets embedded in various ambient medium and torus configurations and subsequently computed the non-thermal emission produced by the jet and thermal absorption from the torus. To better compare the emission simulations with observations we produced synthetic radio maps, taking into account the properties of the observatory. Results: The detailed analysis of our simulations shows that the observed properties such as core shift could be used to distinguish between over-pressured and pressure matched jets. In addition to the properties of the jets, insights into the extent and density of the obscuring torus can be obtained from analyses of the single-dish spectrum and spectral index maps.

Structural Properties and Estimation of Delay Systems. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Kwong, R. H. S.

1975-01-01

Two areas in the theory of delay systems were studied: structural properties and their applications to feedback control, and optimal linear and nonlinear estimation. The concepts of controllability, stabilizability, observability, and detectability were investigated. The property of pointwise degeneracy of linear time-invariant delay systems is considered. Necessary and sufficient conditions for three dimensional linear systems to be made pointwise degenerate by delay feedback were obtained, while sufficient conditions for this to be possible are given for higher dimensional linear systems. These results were applied to obtain solvability conditions for the minimum time output zeroing control problem by delay feedback. A representation theorem is given for conditional moment functionals of general nonlinear stochastic delay systems, and stochastic differential equations are derived for conditional moment functionals satisfying certain smoothness properties.

The impact of sintering temperature on structural, morphological and thermoelectric properties of zinc titanate nanocrystals

NASA Astrophysics Data System (ADS)

Chandrasekaran, P.; Murugu thiruvalluvan, T. M. V.; Arivanandhan, M.; Jayakumari, T.; Anandan, P.

2017-07-01

The effect of sintering temperature and Ti:Zn ratio of precursor solutions on the structural, morphological and thermoelectric properties of Zinc titanate (TZO) nanocrystals have been investigated. TZO nanocrystals were synthesized by changing the molar ratio of precursors of Zn and Ti sources by sol-gel method. The synthesized materials were sintered at different temperatures and the formation of multi phases of TZO were analysed by x-ray diffraction studies. The morphological properties and composition of TZO samples were studied by FESEM, TEM and XPS analysis. The thermoelectric properties of the TZO have been studied by measuring the Seebeck coefficient of the materials at various temperature. It was observed that the Seebeck coefficient of TZO sample increases with increasing Zn content in the sample especially at high temperature.

Investigations on the Mechanical Properties of Conducting Polymer Coating-Substrate Structures and Their Influencing Factors

PubMed Central

Wang, Xi-Shu; Tang, Hua-Ping; Li, Xu-Dong; Hua, Xin

2009-01-01

This review covers recent advances and work on the microstructure features, mechanical properties and cracking processes of conducting polymer film/coating- substrate structures under different testing conditions. An attempt is made to characterize and quantify the relationships between mechanical properties and microstructure features. In addition, the film cracking mechanism on the micro scale and some influencing factors that play a significant role in the service of the film-substrate structure are presented. These investigations cover the conducting polymer film/coating nucleation process, microstructure-fracture characterization, translation of brittle-ductile fractures, and cracking processes near the largest inherent macromolecule defects under thermal-mechanical loadings, and were carried out using in situ scanning electron microscopy (SEM) observations, as a novel method for evaluation of interface strength and critical failure stress. PMID:20054470

Study of the micro-structural properties of RISUG--a newly developed male contraceptive.

PubMed

Kumar, Sunil; Roy, Sohini; Chaudhury, Koel; Sen, Prasenjit; Guha, Sujoy K

2008-07-01

A new male contraceptive given the name RISUG (an acronym for reversible inhibition of sperm under guidance) and presently undergoing advanced clinical trials has been developed. When injected into the lumen of the vas deferens, its polyelectrolytic nature induces a surface charge imbalance on sperm membrane system leading to the leakage of enzymes essential for fertilization. Contact mode atomic force microscopy (AFM) has been used to analyze quantitatively the micro-structural properties of RISUG and its precipitate in various systems. Hydrolysis of the contraceptive gel resulted in the formation of pores of varying dimensions. RISUG being a highly charged molecule, as evident from zeta potential measurements, has a tendency to form a complex with ionic biomolecules present in the seminal plasma. This is supported by the experimental observations using AFM. This RISUG-biomolecule complex possibly acts as an ionic trap for spermatozoa passing through the vas deferens. Micro-structural properties of RISUG including amplitude (root mean square, peak-to-valley distance, skewness and kurtosis) and spatial roughness have been studied to understand its response to various physiological conditions. Significant alterations in the surface charge distribution of the sperm cell is observed on exposure to RISUG. 2007 Wiley Periodicals, Inc.

Raman Spectrum of Er-Y-codoped ZrO2 and Fluorescence Properties of Er3+

NASA Astrophysics Data System (ADS)

He, Jun; Luo, Meng-fei; Jin, Ling-yun; He, Mai; Fang, Ping; Xie, Yun-long

2007-02-01

Er-Y-codoped ZrO2 mixed oxides with monoclinic, tetragonal and cubic structures were prepared by a sol-gel method. The crystal structure of ZrO2 matrix and the effect of the ZrO2 phases on the fluorescence properties of Er3+ were studied using Raman spectroscopy. The results indicated that the fluorescence properties of Er3+ depend on its local ZrO2 crystal structures. As ZrO2 matrix transferred from monoclinic to tetragonal and cubic phase, the Raman and fluorescence bands of Er3+ decreased in intensities and tended to form a single peak. With 632.8 nm excitation, the bands between 640 and 680 nm were attributed to the fluorescence of Er3+ in the ZrO2 environment. However, only the fluorescence was observed and no Raman spectra were seen under 514.5 nm excitation, while only Raman spectra were observed under 325 nm excitation. UV Raman spectroscopy was found to be more sensitive in the surface region while the information provided by XRD mainly came from the bulk. The phase with lower symmetry forms more easily on the surface than in the bulk.

Atomic and electronic structure of trilayer graphene/SiC(0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer.

PubMed

Pierucci, Debora; Brumme, Thomas; Girard, Jean-Christophe; Calandra, Matteo; Silly, Mathieu G; Sirotti, Fausto; Barbier, Antoine; Mauri, Francesco; Ouerghi, Abdelkarim

2016-09-15

The transport properties of few-layer graphene are the directly result of a peculiar band structure near the Dirac point. Here, for epitaxial graphene grown on SiC, we determine the effect of charge transfer from the SiC substrate on the local density of states (LDOS) of trilayer graphene using scaning tunneling microscopy/spectroscopy and angle resolved photoemission spectroscopy (ARPES). Different spectra are observed and are attributed to the existence of two stable polytypes of trilayer: Bernal (ABA) and rhomboedreal (ABC) staking. Their electronic properties strongly depend on the charge transfer from the substrate. We show that the LDOS of ABC stacking shows an additional peak located above the Dirac point in comparison with the LDOS of ABA stacking. The observed LDOS features, reflecting the underlying symmetry of the two polytypes, were reproduced by explicit calculations within density functional theory (DFT) including the charge transfer from the substrate. These findings demonstrate the pronounced effect of stacking order and charge transfer on the electronic structure of trilayer or few layer graphene. Our approach represents a significant step toward understand the electronic properties of graphene layer under electrical field.

A DFT-D Study on Structural, Electronic, Thermodynamic, and Mechanical Properties of HMX/MPNO Cocrystal under High Pressure

NASA Astrophysics Data System (ADS)

Lin, He; Chen, Jian-Fu; Cui, Yu-Ming; Zhang, Zhen-Jiang; Yang, Dong-Dong; Zhu, Shun-Guan; Li, Hong-Zhen

2017-04-01

An investigation on the structural, electronic, thermodynamic, and mechanical properties of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)/2-methylpyridine-N-oxide (MPNO) cocrystal was carried out from 0 to 100 GPa by using a dispersion-corrected density functional theory (DFT-D) method. Our calculated crystal structure is in excellent agreement with experimental results at ambient pressure. Based on the analysis of lattice parameters, lattice angles, bond lengths, bond angles, and dihedral angles under high pressure, we observe that HMX molecules in the cocrystal bulk are seriously distorted but MPNO molecules remain relatively unchanged. Hydrogen bond lengths are greatly shortened under high pressure. In addition, with the increase in pressure, the bandgap decreases gradually. However, it increases suddenly at 70 GPa. Some important hydrogen bonds between HMX and MPNO are also observed in the density of states spectrum. According to the thermodynamic analysis, this cocrystal is more easily prepared under low pressure. Finally, we characterized its mechanical properties and the results show that this cocrystal is malleable in nature. We expect that this research can provide a fundamental basis for further HMX cocrystal design and preparation.

Isolation of aramid nanofibers for high strength multiscale fiber reinforced composites

NASA Astrophysics Data System (ADS)

Lin, Jiajun; Patterson, Brendan A.; Malakooti, Mohammad H.; Sodano, Henry A.

2018-03-01

Aramid fibers are famous for their high specific strength and energy absorption properties and have been intensively used for soft body armor and ballistic protection. However, the use of aramid fiber reinforced composites is barely observed in structural applications. Aramid fibers have smooth and inert surfaces that are unable to form robust adhesion to polymeric matrices due to their high crystallinity. Here, a novel method to effectively integrate aramid fibers into composites is developed through utilization of aramid nanofibers. Aramid nanofibers are prepared from macroscale aramid fibers (such as Kevlar®) and isolated through a simple and scalable dissolution method. Prepared aramid nanofibers are dispersible in many polymers due to their improved surface reactivity, meanwhile preserve the conjugated structure and likely the strength of their macroscale counterparts. Simultaneously improved elastic modulus, strength and fracture toughness are observed in aramid nanofiber reinforced epoxy nanocomposites. When integrated in continuous fiber reinforced composites, aramid nanofibers can also enhance interfacial properties by forming hydrogen bonds and π-π coordination to bridge matrix and macroscale fibers. Such multiscale reinforcement by aramid nanofibers and continuous fibers results in strong polymeric composites with robust mechanical properties that are necessary and long desired for structural applications.

A reduced adaptive observer for multivariable systems. [using reduced dynamic ordering

NASA Technical Reports Server (NTRS)

Carroll, R. L.; Lindorff, D. P.

1973-01-01

An adaptive observer for multivariable systems is presented for which the dynamic order of the observer is reduced, subject to mild restrictions. The observer structure depends directly upon the multivariable structure of the system rather than a transformation to a single-output system. The number of adaptive gains is at most the sum of the order of the system and the number of input parameters being adapted. Moreover, for the relatively frequent specific cases for which the number of required adaptive gains is less than the sum of system order and input parameters, the number of these gains is easily determined by inspection of the system structure. This adaptive observer possesses all the properties ascribed to the single-input single-output adpative observer. Like the other adaptive observers some restriction is required of the allowable system command input to guarantee convergence of the adaptive algorithm, but the restriction is more lenient than that required by the full-order multivariable observer. This reduced observer is not restricted to cycle systems.

Properties of interstellar wind leading to shape morphology of the dust surrounding HD 61005

NASA Astrophysics Data System (ADS)

Pástor, P.

2017-08-01

Aims: A structure formed by dust particles ejected from the debris ring around HD 61005 is observed in the scattered light. The main aim here is to constrain interstellar wind parameters that lead to shape morphology in the vicinity of HD 61005 using currently available observational data for the debris ring. Methods: Equation of motion of 2 × 105 dust particles ejected from the debris ring under the action of the electromagnetic radiation, stellar wind, and interstellar wind is solved. A two-dimensional (2D) grid is placed in a given direction for accumulation of the light scattered on the dust particles in order to determine the shape morphology. The interaction of the interstellar wind and the stellar wind is considered. Results: Groups of unknown properties of the interstellar wind that create the observed morphology are determined. A relation between number densities of gas components in the interstellar wind and its relative velocity is found. Variations of the shape morphology caused by the interaction with the interstellar clouds of various temperatures are studied. When the interstellar wind velocity is tilted from debris ring axis a simple relation between the properties of the interstellar wind and an angle between the line of sight and the interstellar wind velocity exists. Dust particles that are most significantly influenced by stellar radiation move on the boundary of observed structure. Conclusions: Observed structure at HD 61005 can be explained as a result of dust particles moving under the action of the interstellar wind. Required number densities or velocities of the interstellar wind are much higher than that of the interstellar wind entering the solar system.

Bromine, Dioxide, OBrO: Spectroscopic Properties, Molecular Structure, and Harmonic Force Field

NASA Technical Reports Server (NTRS)

Mueller, G.; Miller, C.; Cohen, E.

1996-01-01

The unstable OBrO radical, which might play a role in atmospheric chemistry, has been observed in the gas phase over a solid product of the O + Br subscript 2 reaction. Under certain conditions BrO, OBrO, and Br subscript 2 O could be observed simultaneously.

Assessment of corneal properties based on statistical modeling of OCT speckle.

PubMed

Jesus, Danilo A; Iskander, D Robert

2017-01-01

A new approach to assess the properties of the corneal micro-structure in vivo based on the statistical modeling of speckle obtained from Optical Coherence Tomography (OCT) is presented. A number of statistical models were proposed to fit the corneal speckle data obtained from OCT raw image. Short-term changes in corneal properties were studied by inducing corneal swelling whereas age-related changes were observed analyzing data of sixty-five subjects aged between twenty-four and seventy-three years. Generalized Gamma distribution has shown to be the best model, in terms of the Akaike's Information Criterion, to fit the OCT corneal speckle. Its parameters have shown statistically significant differences (Kruskal-Wallis, p < 0.001) for short and age-related corneal changes. In addition, it was observed that age-related changes influence the corneal biomechanical behaviour when corneal swelling is induced. This study shows that Generalized Gamma distribution can be utilized to modeling corneal speckle in OCT in vivo providing complementary quantified information where micro-structure of corneal tissue is of essence.

A Blind Test of Hapke's Photometric Model

NASA Technical Reports Server (NTRS)

Helfenstein, P.; Shepard, M. K.

2003-01-01

Hapke's bidirectional reflectance equation is a versatile analytical tool for predicting (i.e. forward modeling) the photometric behavior of a particulate surface from the observed optical and structural properties of its constituents. Remote sensing applications of Hapke s model, however, generally seek to predict the optical and structural properties of particulate soil constituents from the observed photometric behavior of a planetary surface (i.e. inverse-modeling). Our confidence in the latter approach can be established only if we ruthlessly test and optimize it. Here, we summarize preliminary results from a blind-test of the Hapke model using laboratory measurements obtained with the Bloomsburg University Goniometer (B.U.G.). The first author selected eleven well-characterized powder samples and measured the spectrophotometric behavior of each. A subset of twenty undisclosed examples of the photometric measurement sets were sent to the second author who fit the data using the Hapke model and attempted to interpret their optical and mechanical properties from photometry alone.

Various physical properties of Mn_1-xFex alloy films

NASA Astrophysics Data System (ADS)

Kim, J. B.; Cho, K. H.; Nahm, T.-U.; Lee, Y. P.; Kim, K. W.; Kudryavtsev, Y. V.; Gontarz, R.; Szymanski, B.

2003-03-01

The structural dependences of the magneto-optical, the optical and the magnetic properties of Mn_1-xFex alloy films have been investigated. It was revealed that the EKE (equatorial Kerr effect) signal at 293 K for the Mn_1-xFex alloy films can be observed only for x > 0.50. All the EKE spectra have nearly the same spectral shape (Fe-like) and differ from each other only in the intensity. The observed experimental EKE spectra for the Fe-rich Mn_1-xFex alloy films can be nicely described by the simulated ones made in the framework of the effective medium approximation. The optical properties such as optical conductivity of all the investigated alloys can be separated into three groups which are related to the different crystalline structures of alloys: predominance of the α-Fe (0.8 < x < 0.97), the γ-Mn-Fe (0.2 < x < 0.6) and the α-Mn (0.02 < x < 0.23) phases, respectively.

Effect of stress on amorphous bent cores

NASA Astrophysics Data System (ADS)

Saito, Akihiko; Yamamoto, Ken-ichi; Kunimori, Osamu

1992-07-01

The effect of stress on bent amorphous cores with positive magnetostriction has been investigated. Tension has been applied to the ribbon while winding into the toroid to improve the magnetic properties of the core. The properties of the coercive force of the tension winding core due to applied tension have been made clear from the observation of the domain structure.

Hierarchical mechanism of development of wealth and structure for a premodern local society

NASA Astrophysics Data System (ADS)

Matsuo, Miki Y.

2011-06-01

We propose a hierarchical model of social development composed of two associated hierarchies, each of which describes economic and noneconomic activities in society, respectively. The model is designed to explain the development of wealth distribution and social structure over 50 years in a premodern Japanese local society. Data analysis shows that the wealth distribution has a well-known universal power-law tail throughout the observed period, while the Pareto index gradually decreases with time. We further show that the noneconomic social properties, such as the household number, average family size, and number of collaterals in a household, of the local society, also have decreasing or increasing trends throughout the observed period. We show that the hierarchical model consistently demonstrates the correlations of these economic and noneconomic properties.

Dietary Fiber-Induced Changes in the Structure and Thermal Properties of Gluten Proteins Studied by Fourier Transform-Raman Spectroscopy and Thermogravimetry.

PubMed

Nawrocka, Agnieszka; Szymańska-Chargot, Monika; Miś, Antoni; Wilczewska, Agnieszka Z; Markiewicz, Karolina H

2016-03-16

Interactions between gluten proteins and dietary fiber supplements at the stage of bread dough formation are crucial in the baking industry. The dietary fiber additives are regarded as a source of polysaccharides and antioxidants, which have positive effects on human health. The fiber enrichment of bread causes a significant reduction in its quality, which is connected with changes in the structure of gluten proteins. Changes in the structure of gluten proteins and their thermal properties induced by seven commercial dietary fibers (fruit, vegetable, and cereal) were studied by FT-Raman spectroscopy and thermogravimetry (TGA), respectively. For this aim the bread dough at 500 FU consistency was made of a blend of wheat starch and wheat gluten as well as the fiber, the content of which ranged from 3 to 18% w/w. The obtained results revealed that all dietary fibers apart from oat caused similar changes in the secondary structure of gluten proteins. The most noticeable changes were observed in the regions connected with hydrogen-bonded β-sheets (1614 and 1684 cm(-1)) and β-turns (1640 and 1657 cm(-1)). Other changes observed in the gluten structure, concerning other β-structures, conformation of disulfide bridges, and aromatic amino acid microenvironment, depend on the fibers' chemical composition. The results concerning structural changes suggested that the observed formation of hydrogen bonds in the β-structures can be connected with aggregation or abnormal folding. This hypothesis was confirmed by thermogravimetric results. Changes in weight loss indicated the formation of a more complex and strong gluten network.

The application of PA/CF in stab resistance body armor

NASA Astrophysics Data System (ADS)

Yuan, M. Q.; Liu, Y.; Gong, Z.; Qian, X. M.

2017-06-01

Stab resistance body armor (SRBA) is an essential defensive equipment to protect human body against injuries from stabbing. The conventional SRBAs shared low wearing frequency since they are heavy and poor in flexibility. This paper designed a structured stab-resistance plate using the model of crocodile armor and manufactured using 3D printing technology-laser sintering (LS). CF(Carbon fiber) was applied to enhance the stab resistance properties of SRBA. The effects of the material and structure were analysed through the stab resistance property tests based on the national standard GA68-2008. It is found that the stab resistance property of flat plates sintered by PA powder and PA/CF are both weaker than that of the structured plate. The penetrating depth of PA/CF structured plate is significantly 2-mm-less than the pure PA structured plate. The SEM observations confirmed the conclusion that addition of the CF largely improved the plate stab resistance property. Moreover, using PA/CF structured plate to produce the stab resistance body armor would result in a weight reduction by about 30-40% as compared to the existing SRBA that was made up of metal plates, which could largely reduce the wearer physical burden and improve the wearing frequency.

Thermally Sprayed High Temperature Sandwich Structures: Physical Properties and Mechanical Performance

NASA Astrophysics Data System (ADS)

Salavati, Saeid

Metallic foam core sandwich structures have been of particular interest for engineering applications in recent decades due to their unique physical and mechanical properties. One of the potential applications of open pore metallic foam core sandwich structures is in heat exchangers. An investigation of sandwich structures fabricated from materials suitable for application at high temperatures and in corrosive environments was undertaken in this project. A novel method for fabrication of metallic foam core sandwich structures is thermal spray deposition of the faces on the prepared surfaces of the metallic foam substrate. The objective of the current study was to optimize the twin wire arc spray process parameters for the deposition of alloy 625 faces with controllable porosity content on the nickel foam substrate, and to characterize the physical and mechanical properties of the sandwich structure. The experimental investigations consisted of microstructural evaluation of the skin material and the foam substrate, investigation of the effect of alloying on the mechanical and thermal properties of the nickel foam, optimization of the grit-blasting and arc spray processes, observation of mechanical properties of the alloy 625 deposit by tensile testing and evaluation of the overall mechanical properties of the sandwich structure under flexural loading condition. The optimization of arc spraying process parameters allowed deposition of alloy 625 faces with a porosity of less than 4% for heat exchanger applications. Modification of the arc spraying process by co-deposition of polyester powder enabled 20% porosity to be obtained in the deposited faces for heat shield applications with film cooling. The effects of nickel foam alloying and heat treatment on the flexural rigidity of the sandwich structures were investigated and compared with as-received foam and as-fabricated sandwich structures. Available analytical models were employed to describe the effect of constituents' mechanical properties on the overall mechanical performance of the sandwich structures. Finite element modeling using ANSYS Structural was used to simulate the behaviour of the sandwich structures in four-point bending. The analytical and simulation results were compared with the experimental results obtained from the flexural tests.

The structure and mechanics of Moso bamboo material

PubMed Central

Dixon, P. G.; Gibson, L. J.

2014-01-01

Although bamboo has been used structurally for millennia, there is currently increasing interest in the development of renewable and sustainable structural bamboo products (SBPs). These SBPs are analogous to wood products such as plywood, oriented strand board and glue-laminated wood. In this study, the properties of natural Moso bamboo (Phyllostachys pubescens) are investigated to further enable the processing and design of SBPs. The radial and longitudinal density gradients in bamboo give rise to variations in the mechanical properties. Here, we measure the flexural properties of Moso bamboo in the axial direction, along with the compressive strengths in the axial and transverse directions. Based on the microstructural variations (observed with scanning electron microscopy) and extrapolated solid cell wall properties of bamboo, we develop models, which describe the experimental results well. Compared to common North American construction woods loaded along the axial direction, Moso bamboo is approximately as stiff and substantially stronger, in both flexure and compression but denser. This work contributes to critical knowledge surrounding the microstructure and mechanical properties of bamboo, which are vital to the engineering and design of sustainable SBPs. PMID:25056211

The effect of high energy concentration source irradiation on structure and properties of Fe-based bulk metallic glass

NASA Astrophysics Data System (ADS)

Pilarczyk, Wirginia

2016-06-01

Metallic glasses exhibit metastable structure and maintain this relatively stable amorphous state within certain temperature range. High intensity laser beam was used for the surface irradiation of Fe-Co-B-Si-Nb bulk metallic glasses. The variable parameter was laser beam pulse energy. For the analysis of structure and properties of bulk metallic glasses and their surface after laser remelting the X-ray analysis, microscopic observation and test of mechanical properties were carried out. Examination of the nanostructure of amorphous materials obtained by high pressure copper mold casting method and the irradiated with the use of TITAN 80-300 HRTEM was carried out. Nanohardness and reduced Young's modulus of particular amorphous and amorphous-crystalline material zone of the laser beam were examined with the use of Hysitron TI950 Triboindenter nanoindenter and with the use of Berkovich's indenter. The XRD and microscopic analysis showed that the test material is amorphous in its structure before irradiation. Microstructure observation with electron transmission microscopy gave information about alloy crystallization in the irradiated process. Identification of given crystal phases allows to determine the kind of crystal phases created in the first place and also further changes of phase composition of alloy. The main value of the nanohardness of the surface prepared by laser beam has the order of magnitude similar to bulk metallic glasses formed by casting process irrespective of the laser beam energy used. Research results analysis showed that the area between parent material and fusion zone is characterized by extraordinarily interesting structure which is and will be the subject of further analysis in the scope of bulk metallic glasses amorphous structure and high energy concentration source. The main goal of this work is the results' presentation of structure and chosen properties of the selected bulk metallic glasses after casting process and after irradiation process employing the high energy concentration sources.

Hydration water and bulk water in proteins have distinct properties in radial distributions calculated from 105 atomic resolution crystal structures.

PubMed

Chen, Xianfeng; Weber, Irene; Harrison, Robert W

2008-09-25

Water plays a critical role in the structure and function of proteins, although the experimental properties of water around protein structures are not well understood. The water can be classified by the separation from the protein surface into bulk water and hydration water. Hydration water interacts closely with the protein and contributes to protein folding, stability, and dynamics, as well as interacting with the bulk water. Water potential functions are often parametrized to fit bulk water properties because of the limited experimental data for hydration water. Therefore, the structural and energetic properties of the hydration water were assessed for 105 atomic resolution (

Fundamental Study on the Development of Structural Lightweight Concrete by Using Normal Coarse Aggregate and Foaming Agent

PubMed Central

Lee, Han-Seung; Ismail, Mohamed A.; Woo, Young-Je; Min, Tae-Beom; Choi, Hyun-Kook

2014-01-01

Structural lightweight concrete (SLWC) has superior properties that allow the optimization of super tall structure systems for the process of design. Because of the limited supply of lightweight aggregates in Korea, the development of structural lightweight concrete without lightweight aggregates is needed. The physical and mechanical properties of specimens that were cast using normal coarse aggregates and different mixing ratios of foaming agent to evaluate the possibility of creating structural lightweight concrete were investigated. The results show that the density of SLWC decreases as the dosage of foaming agent increases up to a dosage of 0.6%, as observed by SEM. It was also observed that the foaming agent induced well separated pores, and that the size of the pores ranged from 50 to 100 μm. Based on the porosity of concrete specimens with foaming agent, compressive strength values of structural lightweight foam concrete (SLWFC) were obtained. It was also found that the estimated values from proposed equations for compressive strength and modulus of elasticity of SLWFC, and values obtained by actual measurements were in good agreement. Thus, this study confirms that new structural lightweight concrete using normal coarse aggregates and foaming agent can be developed successfully. PMID:28788691

Hilbert space structure in quantum gravity: an algebraic perspective

DOE PAGES

Giddings, Steven B.

2015-12-16

If quantum gravity respects the principles of quantum mechanics, suitably generalized, it may be that a more viable approach to the theory is through identifying the relevant quantum structures rather than by quantizing classical spacetime. Here, this viewpoint is supported by difficulties of such quantization, and by the apparent lack of a fundamental role for locality. In finite or discrete quantum systems, important structure is provided by tensor factorizations of the Hilbert space. However, even in local quantum field theory properties of the generic type III von Neumann algebras and of long range gauge fields indicate that factorization of themore » Hilbert space is problematic. Instead it is better to focus on the structure of the algebra of observables, and in particular on its subalgebras corresponding to regions. This paper suggests that study of analogous algebraic structure in gravity gives an important perspective on the nature of the quantum theory. Significant departures from the subalgebra structure of local quantum field theory are found, working in the correspondence limit of long-distances/low-energies. Particularly, there are obstacles to identifying commuting algebras of localized operators. In addition to suggesting important properties of the algebraic structure, this and related observations pose challenges to proposals of a fundamental role for entanglement.« less

Hilbert space structure in quantum gravity: an algebraic perspective

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giddings, Steven B.

If quantum gravity respects the principles of quantum mechanics, suitably generalized, it may be that a more viable approach to the theory is through identifying the relevant quantum structures rather than by quantizing classical spacetime. Here, this viewpoint is supported by difficulties of such quantization, and by the apparent lack of a fundamental role for locality. In finite or discrete quantum systems, important structure is provided by tensor factorizations of the Hilbert space. However, even in local quantum field theory properties of the generic type III von Neumann algebras and of long range gauge fields indicate that factorization of themore » Hilbert space is problematic. Instead it is better to focus on the structure of the algebra of observables, and in particular on its subalgebras corresponding to regions. This paper suggests that study of analogous algebraic structure in gravity gives an important perspective on the nature of the quantum theory. Significant departures from the subalgebra structure of local quantum field theory are found, working in the correspondence limit of long-distances/low-energies. Particularly, there are obstacles to identifying commuting algebras of localized operators. In addition to suggesting important properties of the algebraic structure, this and related observations pose challenges to proposals of a fundamental role for entanglement.« less

Structure, stability, and thermomechanical properties of Ca-substituted Pr2NiO4 + δ

NASA Astrophysics Data System (ADS)

Pikalova, E. Yu.; Medvedev, D. A.; Khasanov, A. F.

2017-04-01

Ca-substituted layered nickelates with a general Pr2- x Ca x NiO4 + δ composition ( x = 0-0.7, Δ x = 0.1) were prepared in the present work and their structural and physic-chemical properties were investigated in order to select the most optimal materials, which can be used as cathodes for solid oxide fuel cells. With an increase in Ca content in Pr2- x Ca x NiO4 + δ the following tendencies were observed: (i) a decrease in the concentration of nonstoichiometric oxygen (δ), (ii) a decrease in the unit cell parameters and volume, (iii) stabilization of the tetragonal structure, (iv) a decrease of the thermal expansion coefficients, and (v) enchancement of thermodynamic stability and compatibility with selected oxygen- and proton-conducting electrolytes. The Pr1.9Ca0.1NiO4 + δ material, having highest δ value, departs from the general "properties-composition" dependences ascertained. This indicates that oxygen non-stoichiometry has determining influence on the functional properties of layered nickelates.

An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence.

PubMed

Cupellini, Lorenzo; Jurinovich, Sandro; Campetella, Marco; Caprasecca, Stefano; Guido, Ciro A; Kelly, Sharon M; Gardiner, Alastair T; Cogdell, Richard; Mennucci, Benedetta

2016-11-10

The spectroscopic properties of light-harvesting (LH) antennae in photosyntehtic organisms represent a fingerprint that is unique for each specific pigment-protein complex. Because of that, spectroscopic observations are generally combined with structural data from X-ray crystallography to obtain an indirect representation of the excitonic properties of the system. Here, an alternative strategy is presented which goes beyond this empirical approach and introduces an ab initio computational description of both structural and electronic properties and their dependence on the temperature. The strategy is applied to the peripheral light-harvesting antenna complex (LH2) present in purple bacteria. By comparing this model with the one based on the crystal structure, a detailed, molecular level explanation of the absorption and circular dichroism (CD) spectra and their temperature dependence is achieved. The agreement obtained with the experiments at both low and room temperature lays the groundwork for an atomistic understanding of the excitation dynamics in the LH2 system.

Hybrid Perovskite Phase Transition and Its Ionic, Electrical and Optical Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoque, Md Nadim Ferdous; Islam, Nazifah; Zhu, Kai

Hybrid perovskite solar cells (PSCs) under normal operation will reach a temperature above ~ 60 °C, across the tetragonal-cubic structural phase transition of methylammonium lead iodide (MAPbI 3). Whether the structural phase transition could result in dramatic changes of ionic, electrical and optical properties that may further impact the PSC performances should be studied. Herein, we report a structural phase transition temperature of MAPbI 3thin film at ~ 55 °C, but a striking contrast occurred at ~ 45 °C in the ionic and electrical properties of MAPbI 3due to a change of the ion activation energy from 0.7 eV tomore » 0.5 eV. The optical properties exhibited no sharp transition except for the steady increase of the bandgap with temperature. It was also observed that the activation energy for ionic migration steadily increased with increased grain sizes, and reduction of the grain boundary density reduced the ionic migration.« less

Highly improved hydration level sensing properties of copper oxide films with sodium and potassium doping

NASA Astrophysics Data System (ADS)

Sahin, Bünyamin; Kaya, Tolga

2016-01-01

In this study, un-doped, Na-doped, and K-doped nanostructured CuO films were successfully synthesized by the successive ionic layer adsorption and reaction (SILAR) technique and then characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and current-voltage (I-V) measurements. Structural properties of the CuO films were affected from doping. The XRD pattern indicates the formation of polycrystalline CuO films with no secondary phases. Furthermore, doping affected the crystal structure of the samples. The optimum conductivity values for both Na and K were obtained at 4 M% doping concentrations. The comparative hydration level sensing properties of the un-doped, Na-doped, and K-doped CuO nanoparticles were also investigated. A significant enhancement in hydration level sensing properties was observed for both 4 M% Na and K-doped CuO films for all concentration levels. Detailed discussions were reported in the study regarding atomic radii, crystalline structure, and conductivity.

Tensile Properties of Polymeric Matrix Composites Subjected to Cryogenic Environments

NASA Technical Reports Server (NTRS)

Whitley, Karen S.; Gates, Thomas S.

2004-01-01

Polymer matrix composites (PMC s) have seen limited use as structural materials in cryogenic environments. One reason for the limited use of PMC s in cryogenic structures is a design philosophy that typically requires a large, validated database of material properties in order to ensure a reliable and defect free structure. It is the intent of this paper to provide an initial set of mechanical properties developed from experimental data of an advanced PMC (IM7/PETI-5) exposed to cryogenic temperatures and mechanical loading. The application of this data is to assist in the materials down-select and design of cryogenic fuel tanks for future reusable space vehicles. The details of the material system, test program, and experimental methods will be outlined. Tension modulus and strength were measured at room temperature, -196 C, and -269 C on five different laminates. These properties were also tested after aging at -186 C with and without loading applied. Microcracking was observed in one laminate.

The polarization response in InAs quantum dots: theoretical correlation between composition and electronic properties.

PubMed

Usman, Muhammad; Tasco, Vittorianna; Todaro, Maria Teresa; De Giorgi, Milena; O'Reilly, Eoin P; Klimeck, Gerhard; Passaseo, Adriana

2012-04-27

III-V growth and surface conditions strongly influence the physical structure and resulting optical properties of self-assembled quantum dots (QDs). Beyond the design of a desired active optical wavelength, the polarization response of QDs is of particular interest for optical communications and quantum information science. Previous theoretical studies based on a pure InAs QD model failed to reproduce experimentally observed polarization properties. In this work, multi-million atom simulations are performed in an effort to understand the correlation between chemical composition and polarization properties of QDs. A systematic analysis of QD structural parameters leads us to propose a two-layer composition model, mimicking In segregation and In-Ga intermixing effects. This model, consistent with mostly accepted compositional findings, allows us to accurately fit the experimental PL spectra. The detailed study of QD morphology parameters presented here serves as a tool for using growth dynamics to engineer the strain field inside and around the QD structures, allowing tuning of the polarization response.

Structural stability, enhanced magnetic, piezoelectric, and transport properties in (1-x)BiFeO3-(x)Ba0.70Sr0.30TiO3 nanoparticles

NASA Astrophysics Data System (ADS)

Sharma, Subhash; Singh, Vikash; Anshul, Avneesh; Siqueiros, J. M.; Dwivedi, R. K.

2018-05-01

Multiferroic samples with composition (1-x)BiFeO3-(x)(Ba0.70Sr0.30)TiO3 (BFO-BST) were synthesized using a sol-gel route to study the effect of BST doping on structural, transport, and magnetic properties in BiFeO3 (BFO). X-ray diffraction studies with Rietveld analysis revealed that a phase transition occurred from rhombohedral (R3c) (0.0 ≤ × ≤ 0.15) to tetragonal (P4 mm) for x = 0.20 and nanocrystalline nature confirmed by transmission electron microscopy measurements. Piezoelectric properties improved as x increased from x = 0.0 (58 pC/N) to x = 0.20 (112 pC/N) increasing distortion in the crystal structure as evinced by Williamson-Hall analysis. Ferromagnetism was observed in doped BFO, different from the antiferromagnetic ordering in bulk BFO, indicating the noteworthy size effects and Fe-O-Fe bond angle variations in the magnetic ordering of BFO. An improvement in ferroelectric properties is observed with doping of BST compared to pristine BFO. Thermally activated conduction behavior occurred at low and high temperature regions as revealed by temperature dependent dc resistivity measurement. Effective improvements in dielectric response, meaning high dielectric constant with a low dielectric loss, were found in the doped samples.

Structure-property relationships of new bismuth and lead oxide based perovskite ternary solid solutions

NASA Astrophysics Data System (ADS)

Dwivedi, Akansha

Two new bismuth and lead oxide based perovskite ternary solid solutions, namely xBi(Zn1/2Ti1/2)O3-yPbZrO3-zPbTiO3 [xBZT-yPZ-zPT] and xBi(Mg1/2Ti1/2)O3-yBi(Zn 1/2Ti1/2)O3-zPbTiO3 [xBMT-yBZT-zPT] have been developed and their structural and electrical properties have been determined. Various characterization techniques such as X-ray diffraction, calorimetery, electron microscopy, dielectric and piezoelectric measurements have been performed to determine the details of the phase diagram, crystal structure, and domain structure. The selection of these materials is based on the hypothesis that the presence of BZT-PT (Case I ferroelectric (FE)) will increase the transition temperature of MPB systems BMT-PT (Case II FE), and PZ-PT (Case III FE), and subsequently a MPB will be observed in the ternary phase diagrams. The Case I, II, and III classification has been outlined by Stringer et al., is on the basis of the transition temperatures (TC) behavior with composition in the Bi and Pb oxide based binary systems. Several pseudobinary lines have been investigated across the xBZT-yPZ-zPT ternary phase diagram which exhibit varied TC behavior with composition, showing both Case I- and Case III-like TC trends in different regions. A MPB between rhombohedral to tetragonal phases has been located on a pseudobinary line 0.1BZT-0.9[xPT-(1-x)PZ]. Compositions near MPB exhibit mainly soft PZT-like properties with the TC around 60°C lower than the unmodified PZT near its MPB. Electrical properties are reported for the MPB composition, TC = 325°C, Pr = 35 microC/cm2, d33 = 300 pC/N and kP =0.45. Rhombohedral compositions show diffuse phase transition with small frequency dispersion, similar to relaxors. Two transition peaks in the permittivity as well as in the latent heat has been observed in some compositions near the BZT-PT binary. This leads to the speculation for the existence of miscibility gap in the solid solutions in these regions. Transmission electron microscopy (TEM) performed on these compositions show subdomain modulation contrast suggesting the presence of localized and correlated spatial fluctuations in the spontaneous strain. In the xBMT-yBZT-zPT system, very small rhombohedral region in the room temperature phase diagram has been observed. Owing to the limited solid solubility, only a part of the phase diagram could be explored. Compositions on pseudobinary xPT-(1-x)[0.9BMT-0.1BZT] has been successfully fabricated and characterized. High c/a ratio of 1.04 has been observed for a surprisingly low tolerance factor of 0.9732. Transition temperature trends have been established from DSC and dielectric data along this pseudobinary line. The following trend in the TC has been observed with the increase in non PT end member that has been divided into three zones: in Zone I TC increases, in Zone II it decreases, and in the Zone III, two transition temperatures are observed. From the TEM investigation, it has been noted that these compositions exhibit subdomain modulations which reflects the presence of spontaneous strain. These modulations increase with the increase in non PT end member, and at certain composition along pseudobinary, both macro and micro domains structure can be observed. Compositions in the rhombohedral phase of xBMT-yBZT-zPT show dramatic changes in dielectric and piezoelectric properties when quenched from high temperature. Samples quenched from temperature range 650°C-900°C show classical ferroelectric switching behavior, which is not observed on either side of this temperature range. These quenched states are however, unstable in nature and lose their ferroelectric properties when heated to a temperature as low as 400°C. Structural analysis by TEM shows varied domain structures for samples quenched from different temperatures. Evidences of tilt transitions and intermediate phases have also been observed in the TEM study. New insights into solid solution development and defect metastability are gained and discussed in relation to relaxor based ferroelectric phenomena. Complex domains and intermediate displacive phase transitions are all considered to consistently account for the structure-property-process relations in these novel systems.

Mapping in vitro local material properties of intact and disrupted virions at high resolution using multi-harmonic atomic force microscopy.

PubMed

Cartagena, Alexander; Hernando-Pérez, Mercedes; Carrascosa, José L; de Pablo, Pedro J; Raman, Arvind

2013-06-07

Understanding the relationships between viral material properties (stiffness, strength, charge density, adhesion, hydration, viscosity, etc.), structure (protein sub-units, genome, surface receptors, appendages), and functions (self-assembly, stability, disassembly, infection) is of significant importance in physical virology and nanomedicine. Conventional Atomic Force Microscopy (AFM) methods have measured a single physical property such as the stiffness of the entire virus from nano-indentation at a few points which severely limits the study of structure-property-function relationships. We present an in vitro dynamic AFM technique operating in the intermittent contact regime which synthesizes anharmonic Lorentz-force excited AFM cantilevers to map quantitatively at nanometer resolution the local electro-mechanical force gradient, adhesion, and hydration layer viscosity within individual φ29 virions. Furthermore, the changes in material properties over the entire φ29 virion provoked by the local disruption of its shell are studied, providing evidence of bacteriophage depressurization. The technique significantly generalizes recent multi-harmonic theory (A. Raman, et al., Nat. Nanotechnol., 2011, 6, 809-814) and enables high-resolution in vitro quantitative mapping of multiple material properties within weakly bonded viruses and nanoparticles with complex structure that otherwise cannot be observed using standard AFM techniques.

Self-organizing Large-scale Structures in Earth's Foreshock Waves

NASA Astrophysics Data System (ADS)

Ganse, U.; Pfau-Kempf, Y.; Turc, L.; Hoilijoki, S.; von Alfthan, S.; Vainio, R. O.; Palmroth, M.

2017-12-01

Earth's foreshock is populated by plasma waves in the ULF regime, assumed to be caused by wave instabilities of shock-reflected particle beams. While in-situ observation of these waves has provided plentiful data of their amplitudes, frequencies, obliquities and relation to local plasma conditions, global-scale structures are hard to grasp from observation data alone. The hybrid-Vlasov simulation system Vlasiator, designed for kinetic modeling of the Earth's magnetosphere, has been employed to study foreshock formation under radial and near-radial IMF conditions on global scales. Structures arising in the foreshock can be comprehensively studied and directly compared to observation results. Our modeling results show that foreshock waves present emergent large-scale structures, in which regions of waves with similar phase exist. At the interfaces of these regions ("spines") we observe high wave obliquity, higher beam densities and lower beam velocities than inside them. We characterize these apparently self-organizing structures through the interplay between wave- and beam properties and present the microphysical mechanisms involved in their creation.

Structural, dielectric and magnetic studies of (x) Mg0.2Cu0.3Zn0.5Fe2O4 + (1-x) Ba0.8Zr0.2TiO3 magnetoelectric composites

NASA Astrophysics Data System (ADS)

Khader, S. Abdul; Giridharan, N. V.; Chaudhuri, Arka; Sankarappa, T.

2016-05-01

The Magneto-electric composites (x) Mg0.2Cu0.3Zn0.5Fe2O4 + (1-x) Ba0.8Zr0.2TiO3 (x=15%,30%,45%) were synthesized by sintering mixtures of highly ferroelectric Ba0.8Zr0.2TiO3 (BZT) and highly magneto-strictive component Mg0.2Cu0.3Zn0.5Fe2O4 (MCZF). The presences of two phases in magneto-electric composites were probed by X-ray diffraction (XRD) studies. The peaks observed in the XRD spectrum indicated spinel cubic structure for MCZF ferrite and tetragonal perovskite structure for BZT and, both spinel and pervoskite structures for synthesized composites. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscope (FESEM). Frequency dependent dielectric properties of synthesized composites were measured from 100 Hz to 1 MHz at RT using HIOKI LCR HI-TESTER. The dielectric dispersion is observed at lower frequencies for the synthesized ME composites. The magnetic properties of synthesized composites were analyzed using a Vibrating Sample Magnetometer (VSM). It is observed that the values of saturation magnetization increases along with the ferrite content.

Structural, dielectric and ferroelectric studies of BZT doped Mg0.2Cu0.3Zn0.5Fe2O4 magnetoelectric composites

NASA Astrophysics Data System (ADS)

Khader, S. Abdul; Parveez, Asiya; Giridharan, N. V.; Sankarappa, T.

2018-05-01

The composites of ferrite-ferroelectric system (x) Mg0.2Cu0.3Zn0.5Fe2O4+ (1-x) Ba0.8Zr0.2TiO3 (x=15%, 30%, 45%) were synthesized by sintering mixtures of ferroelectric Ba0.8Zr0.2TiO3 (BZT) and ferrite component Mg0.2Cu0.3Zn0.5Fe2O4 (MCZF). The presences of two phases in magneto-electric composites were probed by X-ray diffraction (XRD) studies. The peaks observed in the XRD spectrum indicated spinel cubic structure for MCZF ferrite and tetragonal perovskite structure for BZT and, both spinel and pervoskite structures for synthesized composites. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscope (FESEM). Frequency dependent dielectric properties of synthesized composites were measured from 100 Hz to 1 MHz at RT using HIOKI LCR HI-TESTER. The dielectric dispersion is observed at lower frequencies for the synthesized ME composites. The ferroelectric properties of synthesized composites were analyzed using a Precision ferroelectric tester. It is observed that the composites exhibited ferroelectric hysteresis with wide loops indicating lossy nature of composites.

Neutron diffraction, specific heat and magnetization studies on Nd{sub 2}CuTiO{sub 6}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rayaprol, S., E-mail: sudhindra@csr.res.in; Kaushik, S. D.; Kumar, Naresh

2016-05-23

Structural and physical properties of a double-perovskite compound, Nd{sub 2}CuTiO{sub 6} have been studied using neutron diffraction, magnetization and specific heat measurements. The compound crystallizes in an orthorhombic structure in space group Pnma. The interesting observation we make here is that, though no long range magnetic order is observed between 2 and 300 K, the low temperature specific heat and magnetic susceptibility behavior exhibits non-Fermi liquid like behavior in this insulating compound. The magnetization and specific heat data are presented and discussed in light of these observations.

Structure-Property Relationships of Architectural Coatings by Neutron Methods

NASA Astrophysics Data System (ADS)

Nakatani, Alan

2015-03-01

Architectural coatings formulations are multi-component mixtures containing latex polymer binder, pigment, rheology modifiers, surfactants, and colorants. In order to achieve the desired flow properties for these formulations, measures of the underlying structure of the components as a function of shear rate and the impact of formulation variables on the structure is necessary. We have conducted detailed measurements to understand the evolution under shear of local microstructure and larger scale mesostructure in model architectural coatings formulations by small angle neutron scattering (SANS) and ultra small angle neutron scattering (USANS), respectively. The SANS results show an adsorbed layer of rheology modifier molecules exist on the surface of the latex particles. However, the additional hydrodynamic volume occupied by the adsorbed surface layer is insufficient to account for the observed viscosity by standard hard sphere suspension models (Krieger-Dougherty). The USANS results show the presence of latex aggregates, which are fractal in nature. These fractal aggregates are the primary structures responsible for coatings formulation viscosity. Based on these results, a new model for the viscosity of coatings formulations has been developed, which is capable of reproducing the observed viscosity behavior.

Electrodeposited Ni-Co films from electrolytes with different Co contents

NASA Astrophysics Data System (ADS)

Karpuz, Ali; Kockar, Hakan; Alper, Mursel; Karaagac, Oznur; Haciismailoglu, Murside

2012-02-01

The properties of electrodeposited Ni-Co films produced from electrolyte consisted of nickel sulfamate, cobalt sulfate and boric acid were investigated as a function of Co content in the films. The compositional analysis performed by an energy dispersive X-ray spectroscopy demonstrated that the Co content of the films increases as the cobalt sulfate concentration in the electrolyte increases. The anomalous codeposition behavior was observed for all concentrations. The crystal structure was analyzed using an X-ray diffraction technique. The face centered cubic (fcc) structure was observed in the films containing from 0 at.% Co to 58 at.% Co. For the higher atomic Co contents (64 at.% and 80 at.%), a mixed phase of dominantly fcc and hexagonal closed packed (hcp) structure was observed although the (10.0) and (10.1) hcp peaks had minor intensities in the patterns. Surface micrographs obtained from a scanning electron microscope revealed that the film surface has a rougher appearance as the Co content increases. Magnetic measurements showed that the saturation magnetization gradually increased with increasing Co content of the films. The coercivity, Hc can be controlled by the structural parameters such as average grain size and crystal structure. The results also indicated that the optimum film composition was 28-40 at.% Co since the lower Hc and higher magnetoresistance (MR) values with very smooth or slightly granular surfaces were achieved at this Co content. It is revealed that Co content has an important effect on structural, magnetic and MR properties of the Ni-Co films.

Investigation of graphene-integrated tunable metamaterials in THz regime

NASA Astrophysics Data System (ADS)

Demir, S. Mahircan; Yüksek, Yahya; Sabah, Cumali

2018-05-01

A metallic fishnet metamaterial structure in sub-THz region is presented. The proposed structure is based on hexagonal resonators. Simulations have been performed by a 3D full-wave electromagnetic simulator and a negative refractive index has been observed at the frequency range between 0.55 and 0.70 THz with the help of the graphene layer. In order to observe the effect of the graphene layer, the metamaterial structure has been simulated and examined before and after graphene integration. Significant modification in the propagation properties has been observed after the graphene integration. Change in S-parameters with the size variation of hexagonal resonators and alteration in graphene thickness are also presented as a parametric study to show the tunability of the structure. Suitability of the metamaterial for sensor applications has been investigated. The proposed metamaterial structure is promising to be effectively used for tunability and sensor applications.

Hierarchical Structure Controls Nanomechanical Properties of Vimentin Intermediate Filaments

PubMed Central

Qin, Zhao; Kreplak, Laurent; Buehler, Markus J.

2009-01-01

Intermediate filaments (IFs), in addition to microtubules and microfilaments, are one of the three major components of the cytoskeleton in eukaryotic cells, playing a vital role in mechanotransduction and in providing mechanical stability to cells. Despite the importance of IF mechanics for cell biology and cell mechanics, the structural basis for their mechanical properties remains unknown. Specifically, our understanding of fundamental filament properties, such as the basis for their great extensibility, stiffening properties, and their exceptional mechanical resilience remains limited. This has prevented us from answering fundamental structure-function relationship questions related to the biomechanical role of intermediate filaments, which is crucial to link structure and function in the protein material's biological context. Here we utilize an atomistic-level model of the human vimentin dimer and tetramer to study their response to mechanical tensile stress, and describe a detailed analysis of the mechanical properties and associated deformation mechanisms. We observe a transition from alpha-helices to beta-sheets with subsequent interdimer sliding under mechanical deformation, which has been inferred previously from experimental results. By upscaling our results we report, for the first time, a quantitative comparison to experimental results of IF nanomechanics, showing good agreement. Through the identification of links between structures and deformation mechanisms at distinct hierarchical levels, we show that the multi-scale structure of IFs is crucial for their characteristic mechanical properties, in particular their ability to undergo severe deformation of ≈300% strain without breaking, facilitated by a cascaded activation of a distinct deformation mechanisms operating at different levels. This process enables IFs to combine disparate properties such as mechanosensitivity, strength and deformability. Our results enable a new paradigm in studying biological and mechanical properties of IFs from an atomistic perspective, and lay the foundation to understanding how properties of individual protein molecules can have profound effects at larger length-scales. PMID:19806221

Hierarchical structure controls nanomechanical properties of vimentin intermediate filaments.

PubMed

Qin, Zhao; Kreplak, Laurent; Buehler, Markus J

2009-10-06

Intermediate filaments (IFs), in addition to microtubules and microfilaments, are one of the three major components of the cytoskeleton in eukaryotic cells, playing a vital role in mechanotransduction and in providing mechanical stability to cells. Despite the importance of IF mechanics for cell biology and cell mechanics, the structural basis for their mechanical properties remains unknown. Specifically, our understanding of fundamental filament properties, such as the basis for their great extensibility, stiffening properties, and their exceptional mechanical resilience remains limited. This has prevented us from answering fundamental structure-function relationship questions related to the biomechanical role of intermediate filaments, which is crucial to link structure and function in the protein material's biological context. Here we utilize an atomistic-level model of the human vimentin dimer and tetramer to study their response to mechanical tensile stress, and describe a detailed analysis of the mechanical properties and associated deformation mechanisms. We observe a transition from alpha-helices to beta-sheets with subsequent interdimer sliding under mechanical deformation, which has been inferred previously from experimental results. By upscaling our results we report, for the first time, a quantitative comparison to experimental results of IF nanomechanics, showing good agreement. Through the identification of links between structures and deformation mechanisms at distinct hierarchical levels, we show that the multi-scale structure of IFs is crucial for their characteristic mechanical properties, in particular their ability to undergo severe deformation of approximately 300% strain without breaking, facilitated by a cascaded activation of a distinct deformation mechanisms operating at different levels. This process enables IFs to combine disparate properties such as mechanosensitivity, strength and deformability. Our results enable a new paradigm in studying biological and mechanical properties of IFs from an atomistic perspective, and lay the foundation to understanding how properties of individual protein molecules can have profound effects at larger length-scales.

Microstructure, electronic structure and optical properties of combustion synthesized Co doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Srinatha, N.; Nair, K. G. M.; Angadi, Basavaraj

2015-10-01

We report on the microstructure, electronic structure and optical properties of nanocrystalline Zn1-xCoxO (x=0, 0.01, 0.03, 0.05 and 0.07) particles prepared by solution combustion technique using L-Valine as fuel. The detailed structural and micro-structural studies were carried out by XRD, HRTEM and TEM-SAED respectively, which confirms the formation of single phased, nano-sized particles. The electronic structure was determined through NEXAFS and atomic multiplet calculations/simulations performed for various symmetries and valence states of 'Co' to determine the valance state, symmetry and crystal field splitting. The correlations between the experimental NEXAFS spectra and atomic multiplet simulations, confirms that, 'Co' present is in the 2+ valence state and substituted at the 'Zn' site in tetrahedral symmetry with crystal field splitting, 10Dq =-0.6 eV. The optical properties and 'Co' induced defect formation of as-synthesized materials were examined by using diffuse reflectance and Photoluminescence spectroscopy, respectively. Red-shift of band gap energy (Eg) was observed in Zn1-xCoxO samples due to Co (0.58 Å) substitution at Zn (0.60 Å) site of the host ZnO. Also, in PL spectra, a prominent pre-edge peak corresponds to ultraviolet (UV) emission around 360-370 nm was observed with Co concentration along with near band edge emission (NBE) of the wide band gap ZnO and all samples show emission in the blue region.

Structure and magnetic properties of Ni-poly(p-xylylene) nanocomposites synthesized by vapor deposition polymerization

NASA Astrophysics Data System (ADS)

Ozerin, Sergei A.; Vdovichenko, Artem Yu.; Streltsov, Dmitry R.; Davydov, Alexander B.; Orekhov, Anton S.; Vasiliev, Alexander L.; Zubavichus, Yan V.; Grigoriev, Evgenii I.; Zavyalov, Sergei A.; Oveshnikov, Leonid N.; Aronzon, Boris A.; Chvalun, Sergei N.

2017-12-01

The relationship between structure, electrical and magnetic properties of thin poly(p-xylylene) - nickel nanocomposite films with Ni concentrations from 5 to 30 vol% was studied. It was found that metal concentration strongly affects size and oxidation state of the nanoparticles and composites morphology. At nickel concentration below 5 vol% the nanoparticles are oxidized to NiO and homogeneously distributed within fine-grained polymer matrix. An increase of Ni concentration up to 10 vol% results in the development of coarse-grained morphology with preferable localization of the nanoparticles at the boundaries of polymeric grains. And finally, in the composite films with nickel concentration above 20 vol%, the fine-grained morphology is observed again, but the nanoparticles are mainly metallic. Effect of the filler content on electrical and magnetic properties of the nanocomposites was elucidated showing that they are determined by percolation phenomenon with the threshold value of about 10 vol%. The well-pronounced magnetic hysteresis as well as ferromagnetic ordering were observed at Ni content above the percolation threshold. The diagrams of magnetic properties of these composites as a function of composition and temperature were elaborated. It was demonstrated that film annealing can be used to control magnetic properties of the composites and strongly enhance magnetoresistance.

Mechanical properties of DNA origami nanoassemblies are determined by Holliday junction mechanophores

PubMed Central

Shrestha, Prakash; Emura, Tomoko; Koirala, Deepak; Cui, Yunxi; Hidaka, Kumi; Maximuck, William J; Endo, Masayuki; Sugiyama, Hiroshi; Mao, Hanbin

2016-01-01

DNA nanoassemblies have demonstrated wide applications in various fields including nanomaterials, drug delivery and biosensing. In DNA origami, single-stranded DNA template is shaped into desired nanostructure by DNA staples that form Holliday junctions with the template. Limited by current methodologies, however, mechanical properties of DNA origami structures have not been adequately characterized, which hinders further applications of these materials. Using laser tweezers, here, we have described two mechanical properties of DNA nanoassemblies represented by DNA nanotubes, DNA nanopyramids and DNA nanotiles. First, mechanical stability of DNA origami structures is determined by the effective density of Holliday junctions along a particular stress direction. Second, mechanical isomerization observed between two conformations of DNA nanotubes at 10–35 pN has been ascribed to the collective actions of individual Holliday junctions, which are only possible in DNA origami with rotational symmetric arrangements of Holliday junctions, such as those in DNA nanotubes. Our results indicate that Holliday junctions control mechanical behaviors of DNA nanoassemblies. Therefore, they can be considered as ‘mechanophores’ that sustain mechanical properties of origami nanoassemblies. The mechanical properties observed here provide insights for designing better DNA nanostructures. In addition, the unprecedented mechanical isomerization process brings new strategies for the development of nano-sensors and actuators. PMID:27387283

Establishing Structure Property Relationship in Drug Partitioning into and Release from Niosomes: Physical Chemistry Insights with Anti-Inflammatory Drugs.

PubMed

Dasgupta, Moumita; Kishore, Nand

2017-09-28

Understanding the physical chemistry underlying interactions of drugs with delivery formulations is extremely important in devising effective drug delivery systems. The partitioning and release kinetics of diclofenac sodium and naproxen from Brij 30 and Triton X-100 niosomal formulations have been addressed based on structural characterization, partitioning energetics, and release kinetics, thus establishing a relationship between structures and observed properties. Both the drugs partition in nonpolar regions of TX-100 niosomes via stacking of aromatic rings. The combined effects of interactions of the drugs with polar head groups and the rigidity of the niosome vesicles determine entry and partitioning of drugs into niosomes. The observed slower rate of release of the drugs from the drug encapsulated niosomes of TX-100 than those of Brij 30, suggest stable complexation of drugs in the nonpolar interior of the former. No release of drugs from the niosomes was observed until 24 h even upon varying pH conditions without SDS. However, SDS in drug loaded niosomes led to release of drugs in as early as 6 h. The sustained pattern of in vitro release kinetics of the drugs thus observed from our niosomal preparations suggest these vesicular systems to be promising for pharamaceutical applications as potential drug delivery vehicles.

Quantification of Soil Pore Structure Based on Minkowski-Functions

NASA Astrophysics Data System (ADS)

Vogel, H.; Weller, U.; Schlüter, S.

2009-05-01

The porous structure in soils and other geologic media is typically a complex 3-dimensional object. Most of the physical material properties including mechanical and hydraulic characteristics are immediately linked to this structure which can be directly observed using non-invasive techniques as e.g. X-ray tomography. It is an old dream and still a formidable challenge to related structural features of porous media to their physical properties. In this contribution we present a scale-invariant concept to quantify pore structure based on a limited set of meaningful morphological functions. They are based on d+1 Minkowski functionals as defined for d-dimensional bodies. These basic quantities are determined as a function of pore size obtained by filter procedures using mathematical morphology. The resulting Minkowski functions provide valuable information on pore size, pore surface area and pore topology having the potential to be linked to physical properties. The theoretical background and the related algorithms are presented and the approach is demonstrated for the structure of an arable topsoil obtained by X-ray micro tomography. We also discuss the fundamental problem of limited resolution which is critical for any attempt to quantify structural features at any scale.

Localized variations in electronic structure of AlGaN/GaN heterostructures grown by molecular-beam epitaxy

NASA Astrophysics Data System (ADS)

Smith, K. V.; Yu, E. T.; Elsass, C. R.; Heying, B.; Speck, J. S.

2001-10-01

Local electronic properties in a molecular-beam-epitaxy-grown AlxGa1-xN/GaN heterostructure field-effect transistor epitaxial layer structure are probed using depth-resolved scanning capacitance microscopy. Theoretical analysis of contrast observed in scanning capacitance images acquired over a range of bias voltages is used to assess the possible structural origins of local inhomogeneities in electronic structure, which are shown to be concentrated in areas where Ga droplets had formed on the surface during growth. Within these regions, there are significant variations in the local electronic structure that are attributed to variations in both AlxGa1-xN layer thickness and Al composition. Increased charge trapping is also observed in these regions.

Investigations on structural, vibrational and dielectric properties of nanosized Cu doped Mg-Zn ferrites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yadav, Anand; Department of Physics, MEDICAPS Institute of Science and Technology, Pithampur 453331; Rajpoot, Rambabu

2016-05-23

Transition metal Cu{sup 2+} doped Mg-Zn ferrite [Mg{sub 0.5}Zn{sub 0.5-x}Cu{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 0.5)] were prepared by sol gel auto combustion (SGAC) method to probe the structural, vibrational and electrical properties. X-ray diffraction (XRD) pattern reveals a single-phase cubic spinel structure without the presence of any secondary phase corresponding to other structure. The average particle size of the parent Mg{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} is found to be ~29.8 nm and is found to increase with Cu{sup 2+} doping. Progressive reduction in lattice parameter of Mg{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} has been observed due to difference inmore » ionic radii of cations with improved Cu doping. Spinel cubic structure is further confirmed by Raman spectroscopy. Small shift in Raman modes towards higher wave number has been observed in doped Mg-Zn ferrites. The permittivity and dielectric loss decreases at lower doping and increases at higher order doping of Cu{sup 2+}.« less

Astromaterial Science

NASA Astrophysics Data System (ADS)

Caplan, Matthew E.

Recent work has used large scale molecular dynamics simulations to study the structures and phases of matter in the crusts of neutron stars, with an emphasis on applying techniques in material science to the study of astronomical objects. In the outer crust of an accreting neutron star, a mixture of heavy elements forms following an X-ray burst, which is buried and freezes. We will discuss the phase separation of this mixture, and the composition of the crust that forms. Additionally, calculations of the properties of the crust, such as diffusion coefficients and static structure factors, may be used to interpret observations. Deeper in the neutron star crust, at the base of the inner crust, nuclei are compressed until they touch and form structures which have come to be called 'nuclear pasta.' We study the phases of nuclear pasta with classical molecular dynamics simulations, and discuss how simulations at low density may be relevant to nucleosynthesis in neutron star mergers. Additionally, we discuss the structure factor of nuclear pasta and its impact on the properties of the crust, and use this to interpret observations of crust cooling in low mass X-ray binaries. Lastly, we discuss a correspondence between the structure of nuclear pasta and biophysics.

Structural, electrical and magnetic properties of (Fe, Co) co-doped SnO2 diluted magnetic semiconductor nanostructures

NASA Astrophysics Data System (ADS)

Mehraj, Sumaira; Ansari, M. Shahnawaze; Alimuddin

2015-01-01

Nanostructures (NSs) of basic composition Sn1-xFex/2Cox/2O2 with x=0.00, 0.04, 0.06, 0.08 and 0.1 were synthesized by citrate-gel route and characterized to understand their structural, electrical and magnetic properties. X-ray diffraction and Raman spectroscopy were used to confirm the formation of single phase rutile type tetragonal structure. The crystallite sizes calculated by using Williamson Hall were found to decrease with increasing doping level. In addition to the fundamental Raman peaks of rutile SnO2, the other three weak Raman peaks at about 505, 537 and 688 cm-1 were also observed. Field emission scanning electron microscopy studies showed the emergence of structural transformation. Electric properties such as dc electrical resistivity as a function of temperature and ac conductivity as a function of frequency were also studied. The variation of dielectric properties with frequency reveals that the dispersion is due to Maxwell-Wagner type of interfacial polarization in general. Hysteresis loops were clearly observed in M-H curves of Fe and Co co-doped SnO2 NSs. However, pure SnO2 nanoparticles (NPs) showed paramagnetic behaviour which vanished at higher values of magnetic field. The grain and grain boundary contribution in the conduction process is estimated through complex impedance plot fitted with non-linear least square (NLLS) approach which shows that the role of grain boundaries increases rapidly as compared to the grain volume with the increase of Fe and Co ions in to system.

Electronic and transport properties of 1D aluminum at atomic scale

NASA Astrophysics Data System (ADS)

Bhuyan, Prabal Dev; Gupta, Sanjeev K.; Sonvane, Yogesh; Kumar, Ashok

2018-04-01

In this paper, we have studied the structural, electronic and transport properties of 1D carbyne like chain and ribbon like zigzag structures of aluminum (Al) nanowire. The ribbon with width of 4.79Å (2R) and 7.01Å (3R) shows better room temperature conductivity i.e. 3.50×1019 (Ω m s)-1 and 3.91×1019 (Ω m s)-1 respectively. We have observed that Al chain conducts better than Al ribbon; however the conductivity for the ribbon can be enhanced by increasing the width. On the other hand, higher thermal conductivity has been found to possess Al ribbon (3R) structure.

Structure and other properties of Jupiter's distant magnetotail

NASA Technical Reports Server (NTRS)

Lepping, R. P.; Desch, M. D.; Klein, L. W.; Sittler, E. C., Jr.; Sullivan, J. D.; Kurth, W. S.; Behannon, K. W.

1983-01-01

Analyses of data from Voyager 2 experiments provide evidence for, and characteristics of, a Jovian magnetotail extending at least to 9,000 Jovian radii from the planet. During approximately (25 day) periodic sightings of the tail, the magnetic field tended to point radially towards or away from Jupiter, indicating preservation to large distances of the bipolar, lobe like structure observed near the planet. This periodicity, along with various properties of the solar wind at this time, indicates that the tail is apparently influenced by recurrent solar wind features. Anomalous magnetic fields, not aligned with the nominal tail axis, also exist within the tail, especially in the low density, central (core) region, indicating some complexity of internal structure.

Thermodynamic and structural properties of hcp bulk and nano-precipitated Ag-Al.

NASA Astrophysics Data System (ADS)

Zarkevich, Nikolai; Johnson, Duane; Smirnov, Andrei

2002-03-01

We study the short- and long- range chemical ordering in hcp bulk Ag_2Al using the Monte Carlo method based on a Hamiltonian constructed via structural formation energies from ab initio electronic-structure calculations. We find that the ground-state structure and thermodynamic properties of bulk Ag_2Al is that determined from the X-ray experimental data. We also address the influence of the interface, coherency strain, and off-stoichiometric disorder on the structure of metastable γ' nano-precipitates in fcc Al matrix. We show that γ' precipitates are off-stoichiometric and provide a new Al-rich structure that reproduces the observed TEM image. We acknowledge our support in part by an ALCOA Foundation Grant, the U.S. Department of Energy through the Frederick Seitz Materials Research Laboratory at UIUC under grant DEFG02-91ER45439, and the UIUC Materials Computation Center under National Science Foundation grant DMR-9976550.

Photonic band gap properties of one-dimensional Thue-Morse all-dielectric photonic quasicrystal

NASA Astrophysics Data System (ADS)

Yue, Chenxi; Tan, Wei; Liu, Jianjun

2018-05-01

In this paper, the photonic band gap (PBG) properties of one-dimensional (1D) Thue-Morse photonic quasicrystal (PQC) S4 structure are theoretically investigated by using transfer matrix method in Bragg condition. The effects of the center wavelength, relative permittivity and incident angle on PBG properties are elaborately analyzed. Numerical results reveal that, in the case of normal incidence, the symmetry and periodicity properties of the photonic band structure are presented. As the center wavelength increases, the PBG center frequency and PBG width decrease while the photonic band structure is always symmetrical about the central frequency and the photonic band structure repeats periodically in the expanding observation frequency range. With the decrease of relative permittivity contrast, the PBG width and the relative PBG width gradually decreases until PBG disappears while the symmetry of the photonic band structure always exists. In the case of oblique incidence, as the incident angle increases, multiple narrow PBGs gradually merge into a wide PBG for the TE mode while for the TM mode, the number of PBG continuously decreases and eventually disappears, i.e., multiple narrow PBGs become a wide passband for the TM mode. The research results will provide a reference for the choice of the material, the incident angle for the PBG properties and its applications of 1D Thue-Morse PQC.

Understanding nanocellulose chirality and structure–properties relationship at the single fibril level

PubMed Central

Usov, Ivan; Nyström, Gustav; Adamcik, Jozef; Handschin, Stephan; Schütz, Christina; Fall, Andreas; Bergström, Lennart; Mezzenga, Raffaele

2015-01-01

Nanocellulose fibrils are ubiquitous in nature and nanotechnologies but their mesoscopic structural assembly is not yet fully understood. Here we study the structural features of rod-like cellulose nanoparticles on a single particle level, by applying statistical polymer physics concepts on electron and atomic force microscopy images, and we assess their physical properties via quantitative nanomechanical mapping. We show evidence of right-handed chirality, observed on both bundles and on single fibrils. Statistical analysis of contours from microscopy images shows a non-Gaussian kink angle distribution. This is inconsistent with a structure consisting of alternating amorphous and crystalline domains along the contour and supports process-induced kink formation. The intrinsic mechanical properties of nanocellulose are extracted from nanoindentation and persistence length method for transversal and longitudinal directions, respectively. The structural analysis is pushed to the level of single cellulose polymer chains, and their smallest associated unit with a proposed 2 × 2 chain-packing arrangement. PMID:26108282

Use of Spherical Instrumented Indentation to Evaluate the Tensile Properties of 3D Combined Structures

NASA Astrophysics Data System (ADS)

Song, Won-Seok; Kim, Seung-Gyu; Kim, Young-Cheon; Kwon, Dongil

2015-03-01

In this paper we propose a novel method, spherical indentation, for evaluation of the plastic properties of combined structures. Three-dimensional (3D) printed products, for example gradient metal alloys consisting of different kinds of material, contain interfaces that can act as weak points and threaten the mechanical reliability of products. Combined structures containing an interface between Cu alloy and Ag were prepared for testing. Samples were heat-treated at 100°C and 200°C for 3 h to optimize processing conditions. The indentation tensile properties of the samples were estimated by analyzing multiple loading-unloading curves obtained by use of the representative stress and strain method. A continuous increase in both yield strength and tensile strength was observed for the Cu alloy and the Cu/Ag interface after heat treatment at up to 200°C, because of precipitation hardening. These experimental results show that mechanical characterization of combined structures by spherical indentation is highly useful on the nano and micro scales.

Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki

We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a setmore » of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.« less

Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

DOE PAGES

Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki; ...

2016-09-01

We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a setmore » of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.« less

Self-assembly of polyelectrolyte surfactant complexes using large scale MD simulation

NASA Astrophysics Data System (ADS)

Goswami, Monojoy; Sumpter, Bobby

2014-03-01

Polyelectrolytes (PE) and surfactants are known to form interesting structures with varied properties in aqueous solutions. The morphological details of the PE-surfactant complexes depend on a combination of polymer backbone, electrostatic interactions and hydrophobic interactions. We study the self-assembly of cationic PE and anionic surfactants complexes in dilute condition. The importance of such complexes of PE with oppositely charged surfactants can be found in biological systems, such as immobilization of enzymes in polyelectrolyte complexes or nonspecific association of DNA with protein. Many useful properties of PE surfactant complexes come from the highly ordered structures of surfactant self-assembly inside the PE aggregate which has applications in industry. We do large scale molecular dynamics simulation using LAMMPS to understand the structure and dynamics of PE-surfactant systems. Our investigation shows highly ordered pearl-necklace structures that have been observed experimentally in biological systems. We investigate many different properties of PE-surfactant complexation for different parameter ranges that are useful for pharmaceutical, engineering and biological applications.

Structural and physicochemical characterization of thermoplastic corn starch films containing microalgae.

PubMed

Fabra, María José; Martínez-Sanz, Marta; Gómez-Mascaraque, L G; Gavara, Rafael; López-Rubio, Amparo

2018-04-15

This work provides an in-depth analysis on how the addition of different microalgae species (Nannochloropsis, Spirulina and Scenedesmus) affected the structural and physicochemical properties of thermoplastic corn starch biocomposites. Structural characterization was conducted by combined SAXS/WAXS experiments and it was correlated with mechanical and barrier properties of the biocomposites. A water vapour permeability drop of ca. 54% was observed upon addition of the different microalgae species. The oxygen permeability and the mechanical properties of biocomposites containing Spirulina or Scenedesmus were not improved since the presence of microalgae hindered the re-arrangement and packing of the lamellar structure of starch polymeric chains, according to the SAXS results. Nannochloropsis caused a great reduction of the matrix rigidity and, the oxygen permeability was also improved. Therefore, all of these features make the Nannochloropsis biocomposites an alternative to generate biodegradable food packaging materials with the additional advantage that they can be easily scaled-up. Copyright © 2018 Elsevier Ltd. All rights reserved.

Structure-activity relationships for novel drug precursor N-substituted-6-acylbenzothiazolon derivatives: A theoretical approach

NASA Astrophysics Data System (ADS)

Sıdır, Yadigar Gülseven; Sıdır, İsa

2013-08-01

In this study, the twelve new modeled N-substituted-6-acylbenzothiazolon derivatives having analgesic analog structure have been investigated by quantum chemical methods using a lot of electronic parameters and structure-activity properties; such as molecular polarizability (α), dipole moment (μ), EHOMO, ELUMO, q-, qH+, molecular volume (Vm), ionization potential (IP), electron affinity (EA), electronegativity (χ), molecular hardness (η), molecular softness (S), electrophilic index (ω), heat of formation (HOF), molar refractivity (MR), octanol-water partition coefficient (log P), thermochemical properties (entropy (S), capacity of heat (Cv)); as to investigate activity relationships with molecular structure. The correlations of log P with Vm, MR, ω, EA, EHOMO - ELUMO (ΔE), HOF in aqueous phase, χ, μ, S, η parameters, respectively are obtained, while the linear relation of log P with IP, Cv, HOF in gas phase are not observed. The log P parameter is obtained to be depending on different properties of compounds due to their complexity.

Effect of structural phase transformation in FeGaO{sub 3} on its magnetic and ferroelectric properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lone, A. G., E-mail: agl221986@gmail.com; Bhowmik, R. N.

2015-06-24

We investigate the structural phase transformation from orthorhombic to rhombohedral structure in FeGaO{sub 3} by adopting a combined effect of mechanical alloying/milling and solid state sintering techniques. The structural phase formation of the FeGaO{sub 3} compound has been characterized by X-ray diffraction pattern. Mechanical milling played a significant role on the stabilization of rhombohedral phase in FeGaO{sub 3}, where as high temperature sintering stabilized the system in orthorhombic phase. A considerable difference has been observed in magnetic and ferroelectric properties of the system in two phases. The system in rhombohedral (R-3c) phase exhibited better ferromagnetic and of ferroelectric properties atmore » room temperature in comparison to orthorhombic (Pc2{sub 1}n) phase. The rhombohedral phase appears to be good for developing metal doped hematite system for spintronics applications and in that process mechanical milling played an important role.« less

Effect of sol temperature on structural, morphological and magnetic properties of PZT thin films on alumina substrate

NASA Astrophysics Data System (ADS)

Sreelalitha, K.; Thyagarajan, K.

2016-01-01

In the present study, we investigate the structural, morphological and magnetic properties of sol-gel spin-coated PZT thin films on alumina substrate. The morphotropic phase boundary (MPB) of PZT [Pb (Zr1-xTix)03] between the tetragonal and rhombohedral phases occurs at the Zr/Ti ratio of 52/48. At the MPB the physical properties of PZT are of far-reaching importance due to their possible crystalline phases. In this study Pb(Zr0.52Ti0.48)03 sols are prepared at room temperature and at 125 °C. The gels are coated onto alumina substrate using a spin-coating unit as two and three layers. The structural studies using XRD confirm the perovskite phase formation at an annealing temperature of 660 °C for both films. The structural parameter grain size, dislocation density, lattice parameters and strain were dependent on the sol temperature. The SEM morphology of the samples represents well-developed dense grain structure and thickness in micrometer ranges. The VSM analysis shows diamagnetic and ferromagnetic hysteresis loop. The ferromagnetism at low fields in PZT films is confirmed by studying the magnetic properties of powder made of the same gel. The effect of heat treatment on the gel preparation is observed on structural, morphological and magnetic properties of PZT thin films. The ferromagnetism in PZT can be attributed to oxygen vacancies. The squareness ratio of the films shows the application of the films as a high-density recording medium.

Ab Initio Molecular-Dynamics Simulation of Neuromorphic Computing in Phase-Change Memory Materials.

PubMed

Skelton, Jonathan M; Loke, Desmond; Lee, Taehoon; Elliott, Stephen R

2015-07-08

We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to temperature pulses of varying length and duration are observed, and a good reproduction of the spike-timing-dependent plasticity observed in nanoelectronic synapses is demonstrated. Short above-melting pulses lead to instantaneous loss of structural and chemical order, followed by delayed partial recovery upon structural relaxation. We also investigate the link between structural order and electrical and optical properties. These results pave the way toward a first-principles understanding of phase-change physics beyond binary switching.

Percolation analyses of observed and simulated galaxy clustering

NASA Astrophysics Data System (ADS)

Bhavsar, S. P.; Barrow, J. D.

1983-11-01

A percolation cluster analysis is performed on equivalent regions of the CFA redshift survey of galaxies and the 4000 body simulations of gravitational clustering made by Aarseth, Gott and Turner (1979). The observed and simulated percolation properties are compared and, unlike correlation and multiplicity function analyses, favour high density (Omega = 1) models with n = - 1 initial data. The present results show that the three-dimensional data are consistent with the degree of filamentary structure present in isothermal models of galaxy formation at the level of percolation analysis. It is also found that the percolation structure of the CFA data is a function of depth. Percolation structure does not appear to be a sensitive probe of intrinsic filamentary structure.

The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulation.

PubMed

Shokuhfar, Ali; Arab, Behrouz

2013-09-01

Recently, great attention has been focused on using epoxy polymers in different fields such as aerospace, automotive, biotechnology, and electronics, owing to their superior properties. In this study, the classical molecular dynamics (MD) was used to simulate the cross linking of diglycidyl ether of bisphenol-A (DGEBA) with diethylenetriamine (DETA) curing agent, and to study the behavior of resulted epoxy polymer with different conversion rates. The constant-strain (static) approach was then applied to calculate the mechanical properties (Bulk, shear and Young's moduli, elastic stiffness constants, and Poisson's ratio) of the uncured and cross-linked systems. Estimated material properties were found to be in good agreement with experimental observations. Moreover, the dependency of mechanical properties on the cross linking density was investigated and revealed improvements in the mechanical properties with increasing the cross linking density. The radial distribution function (RDF) was also used to study the evolution of local structures of the simulated systems as a function of cross linking density.

Multifunctional, angle dependent antireflection, and hydrophilic properties of SiO2 inspired by nano-scale structures of cicada wings

NASA Astrophysics Data System (ADS)

Zada, Imran; Zhang, Wang; Sun, Peng; Imtiaz, Muhammad; Abbas, Waseem; Zhang, Di

2017-10-01

Inspired by the multifunctional properties of cicada wings, we have precisely replicated biomorphic SiO2 with antireflective structures (ARSs) using a simple, inexpensive, and highly effective sol-gel ultrasonic method. The biomorphic replica of SiO2 was directly achieved from a cicada template at high calcination. The biomorphic SiO2 not only inherited the ARS effectively but also exhibited the excellent angle dependent antireflective properties over a wide range of incident angles (10°-60°). The change in reflectance spectra (visible wavelength) of biomorphic SiO2 was observed from 0.3% to 3.3% with the increasing incident angles. The smooth surface of the SiO2 crystal without nanostructures showed a high reflection of 9.2% compared to the biomorphic SiO2 with ARS. These excellent antireflective properties of biomorphic SiO2 can be attributed to the nanoscale structures which introduce a gradient in the refractive index between air and the material surface via ARS. In the meantime, biomorphic SiO2 demonstrates high hydrophilic properties due to the existence of nanostructures on its surface. These multifunctional properties of biomorphic SiO2, angle dependent antireflective properties, and hydrophilicity with high thermal stability may have potential applications in solar cells and antifogging optical materials.

Fabrication method, structure, mechanical, and biological properties of decellularized extracellular matrix for replacement of wide bone tissue defects.

PubMed

Anisimova, N Y; Kiselevsky, M V; Sukhorukova, I V; Shvindina, N V; Shtansky, D V

2015-09-01

The present paper was focused on the development of a new method of decellularized extracellular matrix (DECM) fabrication via a chemical treatment of a native bone tissue. Particular attention was paid to the influence of chemical treatment on the mechanical properties of native bones, sterility, and biological performance in vivo using the syngeneic heterotopic and orthotopic implantation models. The obtained data indicated that after a chemical decellularization treatment in 4% aqueous sodium chlorite, no noticeable signs of the erosion of compact cortical bone surface or destruction of trabeculae of spongy bone in spinal channel were observed. The histological studies showed that the chemical treatment resulted in the decellularization of both bone and cartilage tissues. The DECM samples demonstrated no signs of chemical and biological degradation in vivo. Thorough structural characterization revealed that after decellularization, the mineral frame retained its integrity with the organic phase; however clotting and destruction of organic molecules and fibers were observed. FTIR studies revealed several structural changes associated with the destruction of organic molecules, although all organic components typical of intact bone were preserved. The decellularization-induced structural changes in the collagen constituent resulted changed the deformation under compression mechanism: from the major fracture by crack propagation throughout the sample to the predominantly brittle fracture. Although the mechanical properties of radius bones subjected to decellularization were observed to degrade, the mechanical properties of ulna bones in compression and humerus bones in bending remained unchanged. The compressive strength of both the intact and decellularized ulna bones was 125-130 MPa and the flexural strength of humerus bones was 156 and 145 MPa for the intact and decellularized samples, respectively. These results open new avenues for the use of DECM samples as the replacement of wide bone tissue defects. Copyright © 2015 Elsevier Ltd. All rights reserved.

High resolution multi-facies realizations of sedimentary reservoir and aquifer analogs

PubMed Central

Bayer, Peter; Comunian, Alessandro; Höyng, Dominik; Mariethoz, Gregoire

2015-01-01

Geological structures are by nature inaccessible to direct observation. This can cause difficulties in applications where a spatially explicit representation of such structures is required, in particular when modelling fluid migration in geological formations. An increasing trend in recent years has been to use analogs to palliate this lack of knowledge, i.e., exploiting the spatial information from sites where the geology is accessible (outcrops, quarry sites) and transferring the observed properties to a study site deemed geologically similar. While this approach is appealing, it is difficult to put in place because of the lack of access to well-documented analog data. In this paper we present comprehensive analog data sets which characterize sedimentary structures from important groundwater hosting formations in Germany and Brazil. Multiple 2-D outcrop faces are described in terms of hydraulic, thermal and chemical properties and interpolated in 3-D using stochastic techniques. These unique data sets can be used by the wider community to implement analog approaches for characterizing reservoir and aquifer formations. PMID:26175910

Bridging the gap between supernovae and their remnants through multi-dimensional hydrodynamic modeling

NASA Astrophysics Data System (ADS)

Orlando, S.; Miceli, M.; Petruk, O.

2017-02-01

Supernova remnants (SNRs) are diffuse extended sources characterized by a complex morphology and a non-uniform distribution of ejecta. Such a morphology reflects pristine structures and features of the progenitor supernova (SN) and the early interaction of the SN blast wave with the inhomogeneous circumstellar medium (CSM). Deciphering the observations of SNRs might open the possibility to investigate the physical properties of both the interacting ejecta and the shocked CSM. This requires accurate numerical models which describe the evolution from the SN explosion to the remnant development and which connect the emission properties of the remnants to the progenitor SNe. Here we show how multi-dimensional SN-SNR hydrodynamic models have been very effective in deciphering observations of SNR Cassiopeia A and SN 1987A, thus unveiling the structure of ejecta in the immediate aftermath of the SN explosion and constraining the 3D pre-supernova structure and geometry of the environment surrounding the progenitor SN.

Effects of star-shape poly(alkyl methacrylate) arm uniformity on lubricant properties

DOE PAGES

Robinson, Joshua W.; Qu, Jun; Erck, Robert; ...

2016-03-29

Star-shaped poly(alkyl methacrylate)s (PAMAs) were prepared and blended into an additive-free engine oil to assess the structure property relationship between macromolecular structure and lubricant performance. These additives were designed with a comparable number of repeating units per arm and the number of arms was varied between 3 and 6. Well-defined star-shaped PAMAs were synthesized by atom transfer radical polymerization (ATRP) via a core-first strategy from multi-functional headgroups. Observations of the polymer-oil blends suggest that stars with less than four arms are favorable as a viscosity index improver (VII), and molecular weight dominates viscosity-related effects over other structural features. Star-shaped PAMAs,more » as oil additives, effectively reduce the friction coefficient in both mixed and boundary lubrication regime. Several analogs outperformed commercial VIIs in both viscosity and friction performance. Furthermore, increased wear rates were observed for these star-shaped PAMAs in the boundary lubrication regime suggesting pressure-sensitive conformations may exist.« less

On galaxy structure: CO clouds, open clusters and stars between 270 and 300 deg

NASA Astrophysics Data System (ADS)

Giorgi, E. E.; Carraro, G.; Moitinho, A.; Perren, G. I.; Bronfman, L.; Vázquez, R. A.

2017-10-01

The most used open cluster databases of our Galaxy include about 240 objects located in the region to in galactic longitude and to in galactic latitude. Only 146 out of the total number of these clusters have been investigated with some detail. On this occasion we present preliminary results of a study including optical and CO radio observations sweeping the above mentioned extension of the Milky Way combined with literature data. As for optical data we have selected a total of 16 regions including potential clusters (some of them never observed before) to be surveyed in the system with the main purpose of scrutinising not only the properties of the open cluster system in that place but also to detect and characterise the properties of field hot stars that could help to reveal the far spiral structure in this place. The present study is a continuation of our sine die project aimed at describing the spiral structure in the third and fourth galactic quadrants.

Counter anion effect on structural, opto-electronic and charge transport properties of fused π-conjugated imidazolium compound

NASA Astrophysics Data System (ADS)

Vinodha, M.; Senthilkumar, K.

2018-05-01

The structure-activity relationship of fused π-conjugated imidazolium cation with three counter anion molecules, BF4-, CF3SO3- and (CF3SO2)2N-, was studied using electronic structure calculations. The structural, opto-electronic and charge transport properties of these complexes were studied. The charge transfer from π-conjugated imidazolium(I) to counter anion was confirmed in all the studied complexes. Interaction energy varies significantly depending on the counter anion and the stability was found higher for I-BF4 complex than both I-CF3SO3 and I-(CF3SO2)2N complexes. The strong (C-H)+...F- hydrogen bond of length 1.95 Å between fused π-conjugated imidazolium and BF-4 anion is the driving force for the strongest interaction energy in I-BF4 complex. The energy decomposition analysis confirms that the interaction between imidazolium and counter anion is mainly driven by electrostatic and orbital interaction. It has been observed that the absorption spectra of the complex are independent of anion nature but the influence of anion character is observed on frontier molecular orbital pattern. The charge transport property of I-BF4 complex was studied by using tight-binding Hamiltonian approach and found that the hole mobility in I-BF4 is 1.13 × 10-4 cm2 V-1 s-1.

Structural, optical and morphological studies of Cd2+ doping in CH3NH3PbI3 perovskite semiconductor at Pb2+ site for photovoltaic applications

NASA Astrophysics Data System (ADS)

Parrey, Khursheed; Warish, Mohd.; Devi, Nisha; Niazi, A.; Aziz, A.; Ansari, S. G.

2018-05-01

Doping of semiconductors in a controlled mannner have paramount technological importance as far as the optical and electronic properties of the devices are concerned. Hybrid organic-inorganic perovskites (HOPs) as intrinsic semiconductors have sensational properties required for both the solar photovoltaics and perovskite light emitting diodes. However, undoped and complexity in the dpoing process of HOPs have limited their exploitation in the field of elcronics. In this papper we present the synthesis of HOP semiconductor (CH3NH3PbI3) doped in Pb2+ position by Cd2+. We studied the effect of the incorporation of Cd2+ into the crystalline structure and analysed the changes in the properties like crystal structure, optical absorption and the surface morphology. The structure of HOPs confirmed by X-ray diffraction analysis is tetragonal perovskite type. It can be found that the crystallinity of the samples was enhanced with the doping concentration as the intensity of diffraction peaks were observed to increase with doping. The absorption spectra as obtained from UV-Visible spectrophotometry and Tauc plot analysis indicated that the band gap observed (1.73 eV) is direct type and gets reduced to 1.67 eV with the doping concentration. The red shift may be due to the increase in the size of nanocrystalline material with doping.

Preparation, Structural Characterization and Magnetic Properties of La-SUBSTITUTED co Ferrites via a Modified Citrate Precursor Route

NASA Astrophysics Data System (ADS)

Ai, Lunhong; Jiang, Jing

CoLaxFe2-xO4 (x = 0.00, 0.05 and 0.1) nanoparticles were prepared simply by a modified citrate precursor route. Effects of La-substituting level on the their magnetic properties were investigated on the basis of the structural analysis. The thermal evolution of the precursor, as well as the microstructure of as-prepared products were studied by means of a thermogravimetric analyzer (TGA), X-ray diffractometer (XRD) and Fourier transform infrared (FTIR) spectrometer. The magnetic properties of the as-prepared samples were measured using a vibrating sample magnetometer (VSM). It was found that the magnetic properties were dependent on many factors such as La-substituting level, particle size and microstructure. The observed saturation magnetization decreased with increasing La content, whereas coercivity exhibited reverse behavior.

The [CII]/[NII] far-infrared line ratio at z>5: extreme conditions for “normal” galaxies

NASA Astrophysics Data System (ADS)

Pavesi, Riccardo; Riechers, Dominik; Capak, Peter L.; Carilli, Chris Luke; Sharon, Chelsea E.; Stacey, Gordon J.; Karim, Alexander; Scoville, Nicholas; Smolcic, Vernesa

2017-01-01

Thanks to the Atacama Large (sub-)Millimeter Array (ALMA), observations of atomic far-infrared fine structure lines are a very productive way of measuring physical properties of the interstellar medium (ISM) in galaxies at high redshift, because they provide an unobscured view into the physical conditions of star formation. While the bright [CII] line has become a routine probe of the dynamical properties of the gas, its intensity needs to be compared to other lines in order to establish the physical origin of the emission. [NII] selectively traces the emission coming from the ionized fraction of the [CII]-emitting gas, offering insight into the phase structure of the ISM. Here we present ALMA measurements of [NII] 205 μm fine structure line emission from a representative sample of galaxies at z=5-6 spanning two orders of magnitude in star formation rate (SFR). Our results show at least two different regimes of ionized gas properties for galaxies in the first billion years of cosmic time, separated by their L[CII]/L[NII] ratio. First, we find extremely low [NII] emission compared to [CII] from a “typical” Lyman Break Galaxy (LBG-1), likely due to low dust content and reminiscent of local dwarfs. Second, the dusty Lyman Break Galaxy HZ10 and the extreme starburst AzTEC-3 show ionized gas fractions typical of local star-forming galaxies and show hints of spatial variations in their [CII]/[NII] line ratio. These observations of far-infrared lines in “normal” galaxies at z>5 yield some of the first constraints on ISM models for young galaxies in the first billion years of cosmic time and shed light on the observed evolution of the dust and gas properties.

Tailoring the magnetic properties and magnetorheological behavior of spinel nanocrystalline cobalt ferrite by varying annealing temperature.

PubMed

Sedlacik, Michal; Pavlinek, Vladimir; Peer, Petra; Filip, Petr

2014-05-14

Magnetic nanoparticles of spinel nanocrystalline cobalt ferrite were synthesized via the sol-gel method and subsequent annealing. The influence of the annealing temperature on the structure, magnetic properties, and magnetorheological effect was investigated. The finite crystallite size of the particles, determined by X-ray diffraction and the particle size observed via transmission electron microscopy, increased with the annealing temperature. The magnetic properties observed via a vibrating sample magnetometer showed that an increase in the annealing temperature leads to the increase in the magnetization saturation and, in contrast, a decrease in the coercivity. The effect of annealing on the magnetic properties of ferrite particles has been explained by the recrystallization process at high temperatures. This resulted in grain size growth and a decrease in an imposed stress relating to defects in the crystal lattice structure of the nanoparticles. The magnetorheological characteristics of suspensions of ferrite particles in silicone oil were measured using a rotational rheometer equipped with a magnetic field generator in both steady shear and small-strain oscillatory regimes. The magnetorheological performance expressed as a relative increase in the magnetoviscosity appeared to be significantly higher for suspensions of particles annealed at 1000 °C.

Magnetotransport Properties of Graphene Nanoribbons with Zigzag Edges

NASA Astrophysics Data System (ADS)

Wu, Shuang; Liu, Bing; Shen, Cheng; Li, Si; Huang, Xiaochun; Lu, Xiaobo; Chen, Peng; Wang, Guole; Wang, Duoming; Liao, Mengzhou; Zhang, Jing; Zhang, Tingting; Wang, Shuopei; Yang, Wei; Yang, Rong; Shi, Dongxia; Watanabe, Kenji; Taniguchi, Takashi; Yao, Yugui; Wang, Weihua; Zhang, Guangyu

2018-05-01

The determination of the electronic structure by edge geometry is unique to graphene. In theory, an evanescent nonchiral edge state is predicted at the zigzag edges of graphene. Up to now, the approach used to study zigzag-edged graphene has mostly been limited to scanning tunneling microscopy. The transport properties have not been revealed. Recent advances in hydrogen plasma-assisted "top-down" fabrication of zigzag-edged graphene nanoribbons (Z-GNRs) have allowed us to investigate edge-related transport properties. In this Letter, we report the magnetotransport properties of Z-GNRs down to ˜70 nm wide on an h -BN substrate. In the quantum Hall effect regime, a prominent conductance peak is observed at Landau ν =0 , which is absent in GNRs with nonzigzag edges. The conductance peak persists under perpendicular magnetic fields and low temperatures. At a zero magnetic field, a nonlocal voltage signal, evidenced by edge conduction, is detected. These prominent transport features are closely related to the observable density of states at the hydrogen-etched zigzag edge of graphene probed by scanning tunneling spectroscopy, which qualitatively matches the theoretically predicted electronic structure for zigzag-edged graphene. Our study gives important insights for the design of new edge-related electronic devices.

Tunable optical and excitonic properties of phosphorene via oxidation

NASA Astrophysics Data System (ADS)

Sadki, S.; Drissi, L. B.

2018-06-01

The optical properties and excitonic wave function of phosphorene oxides (PO) are studied using the first principle many-body Green function and the Bethe–Salpeter equation formalism. In this work, the optical properties are determined using ab initio calculations of the dielectric function. At the long wavelength limit q of EM wave (i.e. ), the dielectric function, the absorption spectrum, the lectivity, the electron energy loss spectra (EELS) and the wave function are calculated. The results show an excitonic binding energy of 818 meV with a bright exciton located in the armchair direction in pristine phosphorene. For PO, the arrangement of the oxygen atoms significantly influences the optical properties. In particular, the absorption spectrum is extended along the solar spectrum, with a high absorption coefficient observed in the dangling structures. The maximum lectivity values are observed for the high energies of the light spectrum. Moreover, the first EELS peak is located in the visible region in all the structures except for one configuration that exhibits the same behavior as pure phosphorene. Finally, the exciton effect reveals that all PO conformers have a dark exciton state, which is suitable for long-lived applications.

Structural, electrical and mechanical properties of selenium doped thallium based high-temperature superconductors

NASA Astrophysics Data System (ADS)

Cavdar, S.; Kol, N.; Koralay, H.; Ozturk, O.; Asikuzun, E.; Tasci, A. T.

2016-01-01

In this study, highly-refined chemical powders were synthesized by having them ready in appropriate stoichiometric proportions with conventional solid state reaction method so that they would produce the superconductor TlPb0.3Sr2Ca1-xSexCu2Oy (x = 0; 0.4; 0.6; 1.0). This study aims to understand effect of the selenium doping on the superconducting, structural and mechanical properties of the aforementioned superconducting material. The effect of the doping rates on the structural and electrical properties of the sample has been identified. Electrical characteristics of the TlPb0.3Sr2Ca1-xSexCu2Oy material were measured using standard four point probe method. Structural characteristics were examined with the powder X-ray diffractometer (XRD) and scanning electron microscope (SEM). Mechanical properties were analyzed with Vickers microhardness measurements on the sample surface. According to the results, it was observed that the reflection comes from the (00l) and parallel planes increased with Se doping. Particle size increases with increasing doping ratio. According to results of the mechanical measurements, all samples exhibit indentation size effect (ISE) behavior. Comparing the obtained results with theoretical studies, it was understood that Hays Kendall approach is the best method in determination of mechanical properties and analyzing microhardness of the materials.

Effect of Mo and Ti doping concentration on the structural and optical properties of ZnS nanoparticles

NASA Astrophysics Data System (ADS)

Naz, Hina; Ali, Rai Nauman; Zhu, Xingqun; Xiang, Bin

2018-06-01

In this paper, we report the effect of single phase Mo and Ti doping concentration on the structural and optical properties of the ZnS nanoparticles. The structural and optical properties of the as-synthesized samples have been examined by x-ray diffraction, transmission electron microscopy (TEM), UV-visible near infrared absorption spectroscopy and x-ray photoelectron spectroscopy. TEM characterizations reveal a variation in the doped ZnS nanoparticle size distribution by utilizing different dopants of Mo and Ti. In absorption spectra, a clear red shift of 14 nm is observed with increasing Mo concentration as compared to pure ZnS nanoparticles, while by increasing Ti doping concentration, blue shift of 14 nm is obtained. Moreover, it demonstrates that the value of energy band gap decreases from 4.03 eV to 3.89 eV in case of Mo doping. However, the value of energy band gap have shown a remarkable increase from 4.11 eV to 4.27 eV with increasing Ti doping concentration. Our results provide a new pathway to understand the effect of Mo and Ti doping concentrations on the structural and optical properties of ZnS nanoparticles as it could be the key to tune the properties for future optoelectronic devices.

Intrinsic magnetic properties of bimetallic nanoparticles elaborated by cluster beam deposition.

PubMed

Dupuis, V; Khadra, G; Hillion, A; Tamion, A; Tuaillon-Combes, J; Bardotti, L; Tournus, F

2015-11-14

In this paper, we present some specific chemical and magnetic order obtained very recently on characteristic bimetallic nanoalloys prepared by mass-selected Low Energy Cluster Beam Deposition (LECBD). We study how the competition between d-atom hybridization, complex structure, morphology and chemical affinity affects their intrinsic magnetic properties at the nanoscale. The structural and magnetic properties of these nanoalloys were investigated using various experimental techniques that include High Resolution Transmission Electron Microscopy (HRTEM), Superconducting Quantum Interference Device (SQUID) magnetometry, as well as synchrotron techniques such as Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Magnetic Circular Dichroism (XMCD). Depending on the chemical nature of the nanoalloys we observe different magnetic responses compared to their bulk counterparts. In particular, we show how specific relaxation in nanoalloys impacts their magnetic anisotropy; and how finite size effects (size reduction) inversely enhance their magnetic moment.

Mechanical properties and electronic structure of edge-doped graphene nanoribbons with F, O, and Cl atoms.

PubMed

Piriz, Sebastián; Fernández-Werner, Luciana; Pardo, Helena; Jasen, Paula; Faccio, Ricardo; Mombrú, Álvaro W

2017-08-16

In this study, we present the structural, electronic, and mechanical properties of edge-doped zigzag graphene nanoribbons (ZGNRs) doped with fluorine, oxygen, and chlorine atoms. To the best of our knowledge, to date, no experimental results concerning the mechanical properties of graphene-derived nanoribbons have been reported in the literature. Simulations indicate that Cl- and F-doped ZGNRs present an equivalent 2-dimensional Young's modulus E 2D , which seems to be higher than those of graphene and H-doped ZGNRs. This is a consequence of the electronic structure of the system, particularly originating from strong interactions between the dopant atoms localized at the edges. The interaction between dopant atoms located at the edges is higher for Cl and lower for F and O atoms. This is the origin of the observed trend, in which E > E > E for all the analyzed ZGNRs.

Morphological Properties of Slender Ca II H Fibrils Observed by Sunrise II

NASA Astrophysics Data System (ADS)

Gafeira, R.; Lagg, A.; Solanki, S. K.; Jafarzadeh, S.; van Noort, M.; Barthol, P.; Blanco Rodríguez, J.; del Toro Iniesta, J. C.; Gandorfer, A.; Gizon, L.; Hirzberger, J.; Knölker, M.; Orozco Suárez, D.; Riethmüller, T. L.; Schmidt, W.

2017-03-01

We use seeing-free high spatial resolution Ca II H data obtained by the Sunrise observatory to determine properties of slender fibrils in the lower solar chromosphere. In this work we use intensity images taken with the SuFI instrument in the Ca II H line during the second scientific flight of the Sunrise observatory to identify and track elongated bright structures. After identification, we analyze theses structures to extract their morphological properties. We identify 598 slender Ca II H fibrils (SCFs) with an average width of around 180 km, length between 500 and 4000 km, average lifetime of ≈400 s, and average curvature of 0.002 arcsec-1. The maximum lifetime of the SCFs within our time series of 57 minutes is ≈2000 s. We discuss similarities and differences of the SCFs with other small-scale, chromospheric structures such as spicules of type I and II, or Ca II K fibrils.

Structural and High-Temperature Tensile Properties of Special Pitch-Coke Graphites

NASA Technical Reports Server (NTRS)

Kotlensky, W. V.; Martens, H. E.

1961-01-01

The room-temperature structural properties and the tensile properties up to 5000 F (275O C) were determined for ten grades of specially prepared petroleum-coke coal-tar-pitch graphites which were graphitized at 5430 F (3000 C). One impregnation with coal-tar pitch increased the bulk density from 1.41 to 1.57 g/cm3 and the maximum strength at 4500 F (2500 C) from 4000 to 5700 psi. None of the processing parameters studied had a marked effect on the closed porosity or the X-ray structure or the per cent graphitization. The coarse-particle filler resulted in the lowest coefficient of thermal expansion and the fine-particle filler in the highest coefficient. A marked improvement in uniformity of tensile strength was observed. A standard-deviation analysis gave a one-sigma value of approximately 150 psi for one of these special grades and values of 340-420 psi for three commercial grades.

Understanding to Hierarchical Microstructures of Crab (Chinese hairy) Shell as a Natural Architecture

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chuanqiang, Zhou; Xiangxiang, Gong; School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou

This work was done to better understand the microstructures, composition and mechanical properties of Chinese hairy crab shell. For fully revealing its hierarchical microstructure, the crab shell was observed with electron microscope under different magnifications from different facets. XRD, EDS, FTIR and TGA techniques have been used to characterize the untreated and chemically-treated crab shells, which provided enough information to determine the species and relative content of components in this biomaterial. Combined the microstructures with constituents analysis, the structural principles of crab shell was detailedly realized from different structural levels beyond former reports. To explore the relationship between structure andmore » function, the mechanical properties of shell have been measured through performing tensile tests. The contributions of organics and minerals in shell to the mechanical properties were also discussed by measuring the tensile strength of de-calcification samples treated with HCl solution.« less

Bioinspired Bouligand cellulose nanocrystal composites: a review of mechanical properties

NASA Astrophysics Data System (ADS)

Natarajan, Bharath; Gilman, Jeffrey W.

2017-12-01

The twisted plywood, or Bouligand, structure is the most commonly observed microstructural motif in natural materials that possess high mechanical strength and toughness, such as that found in bone and the mantis shrimp dactyl club. These materials are isotropically toughened by a low volume fraction of soft, energy-dissipating polymer and by the Bouligand structure itself, through shear wave filtering and crack twisting, deflection and arrest. Cellulose nanocrystals (CNCs) are excellent candidates for the bottom-up fabrication of these structures, as they naturally self-assemble into `chiral nematic' films when cast from solutions and possess outstanding mechanical properties. In this article, we present a review of the fabrication techniques and the corresponding mechanical properties of Bouligand biomimetic CNC nanocomposites, while drawing comparison to the performance standards set by tough natural composite materials. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

Elemental, morphological, structural, optical, and magnetic properties of erbium doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Poornaprakash, B.; Chalapathi, U.; Purusottam Reddy, B.; Prabhakar Vattikuti, S. V.; Siva Pratap Reddy, M.; Park, Si-Hyun

2018-03-01

The sensible tuning of the structural, optical, and magnetic properties of ZnO nanoparticles (NPs) with suitable doping can enhance their applicability in diverse fields. In this study, we synthesized ZnO NPs with Er (0-4 at%) doping and their elemental, structural, optical, and magnetic properties were studied. Both field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM) studies of the suspensions consist of hexagonal shaped NPs. All the prepared NPs exhibited hexagonal phase as demonstrated by powder x-ray diffraction studies. A blue shift was observed in the Er doped ZnO NPs compared to pure ZnO, indicating the increased optical bandgap. Vibrating sample magnetometer studies exhibited the pure ZnO NPs was typical diamagnetic feature whereas all the Er doped ZnO NPs were paramagnetic feature at 300 K. This is the first paramagnetic report on Er doped ZnO NPs.

Crystal Structure and Ferroelectric Properties of ε-Ga2O3 Films Grown on (0001)-Sapphire.

PubMed

Mezzadri, Francesco; Calestani, Gianluca; Boschi, Francesco; Delmonte, Davide; Bosi, Matteo; Fornari, Roberto

2016-11-21

The crystal structure and ferroelectric properties of ε-Ga 2 O 3 deposited by low-temperature MOCVD on (0001)-sapphire were investigated by single-crystal X-ray diffraction and the dynamic hysteresis measurement technique. A thorough investigation of this relatively unknown polymorph of Ga 2 O 3 showed that it is composed of layers of both octahedrally and tetrahedrally coordinated Ga 3+ sites, which appear to be occupied with a 66% probability. The refinement of the crystal structure in the noncentrosymmetric space group P6 3 mc pointed out the presence of uncompensated electrical dipoles suggesting ferroelectric properties, which were finally demonstrated by independent measurements of the ferroelectric hysteresis. A clear epitaxial relation is observed with respect to the c-oriented sapphire substrate, with the Ga 2 O 3 [10-10] direction being parallel to the Al 2 O 3 direction [11-20], yielding a lattice mismatch of about 4.1%.

Properties of Exchange Coupled All-garnet Magneto-Optic Thin Film Multilayer Structures

PubMed Central

Nur-E-Alam, Mohammad; Vasiliev, Mikhail; Kotov, Viacheslav A.; Balabanov, Dmitry; Akimov, Ilya; Alameh, Kamal

2015-01-01

The effects of exchange coupling on magnetic switching properties of all-garnet multilayer thin film structures are investigated. All-garnet structures are fabricated by sandwiching a magneto-soft material of composition type Bi1.8Lu1.2Fe3.6Al1.4O12 or Bi3Fe5O12:Dy2O3 in between two magneto-hard garnet material layers of composition type Bi2Dy1Fe4Ga1O12 or Bi2Dy1Fe4Ga1O12:Bi2O3. The fabricated RF magnetron sputtered exchange-coupled all-garnet multilayers demonstrate a very attractive combination of magnetic properties, and are of interest for emerging applications in optical sensors and isolators, ultrafast nanophotonics and magneto-plasmonics. An unconventional type of magnetic hysteresis behavior not observed previously in magnetic garnet thin films is reported and discussed. PMID:28788043

Comparative assessment of the microhardness and plastic degradation mechanism of deposited modulated coatings on mild steel

NASA Astrophysics Data System (ADS)

Fayomi, O. S. I.; Anawe, P. A. L.; Inegbenebor, A. O.; Udoye, N. E.

2018-05-01

Zinc based coatings modified with aluminium and tin inclusions were electrodeposited in chloride zinc sulfate electrolytes containing a metallic powder of titanium. It was found that presence of these particulates is suitable to obtain ZnAlSn-Ti composites coating that could help increase the microhardnesss characteristics and wear properties. The hardness and wear properties of the deposited coatings were examined with diamond base micro-hardness tester and CETR reciprocating sliding tester respectively. The structural properties were examined with the help of scanning electron microscope. It was observed that structural coating surface impact on the hardness propagation with increases from 33.4 to 299 kgf mm-2 (HVN40), and shows a considerably higher wear resistance from 2.351g/min to 0.002g/min. It is obvious that plastic deformation of the working steel structure is dependent on protective coating and the concentration of the individual particulate.

Structure and properties of the subsolar magnetopause for northward interplanetary magnetic field - Multiple-instrument particle observations

NASA Technical Reports Server (NTRS)

Song, P.; Russell, C. T.; Fitzenreiter, R. J.; Gosling, J. T.; Thomsen, M. F.; Mitchell, D. G.; Fuselier, S. A.; Parks, G. K.; Anderson, R. R.; Hubert, D.

1993-01-01

The paper examines the structure and properties of the subsolar magnetopause for northward IMF on the basis of measurements from 10 different instrument for three ISEE crossings. It is shown that the overall structure and properties are similar for the three crossings, indicating that the magnetopause is relatively well determined in the subsolar region for strongly northward IMF. The combined data set suggests that the magnetopause region is best organized by defining a sheath transition layer and steplike boundary layers. The electron flux enhancements in the lowest energies in the boundary layers and magnetosphere are found to be ionospheric electrons and not photoelectrons from the spacecraft. For northward IMF, they are photoelectrons, but for southward IMF they may be secondary electrons. The density measurements from differential and integral techniques are similar, leaving no room for a significant 'invisible' population.

Penetration of filamentary structures in the x-point region of spherical tokamaks

NASA Astrophysics Data System (ADS)

Baver, D. A.; Myra, J. R.; Scotti, F.; Zweben, S. J.; Militello, F.; Walkden, N.

2017-10-01

ArbiTER is a flexible eigenvalue code designed for plasma physics applications. It is used here to gain insight into the spatial dependence of filamentary structures in the scrape-off layer of spherical tokamaks. In particular, observations on MAST reveal the presence of a quiescent x-point region. Observations in NSTX similarly reveal a reduction in divertor fluctuations near the separatrix and a loss of midplane correlation. We will report on the penetration of filamentary structures into the vicinity of the x-point, as well as growth rate trends, for a variety of profiles and toroidal mode numbers. This will determine whether linear properties of these structures can explain experimental observations. Work supported by the U.S. Department of Energy Office of Science, Office of Fusion Energy Sciences, under Award Number DE-FG02-02ER54678.

Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance

PubMed Central

Qin, Guangzhao; Yan, Qing-Bo; Qin, Zhenzhen; Yue, Sheng-Ying; Cui, Hui-Juan; Zheng, Qing-Rong; Su, Gang

2014-01-01

We systematically investigated the geometric, electronic and thermoelectric (TE) properties of bulk black phosphorus (BP) under strain. The hinge-like structure of BP brings unusual mechanical responses such as anisotropic Young's modulus and negative Poisson's ratio. A sensitive electronic structure of BP makes it transform among metal, direct and indirect semiconductors under strain. The maximal figure of merit ZT of BP is found to be 0.72 at 800 K that could be enhanced to 0.87 by exerting an appropriate strain, revealing BP could be a potential medium-high temperature TE material. Such strain-induced enhancements of TE performance are often observed to occur at the boundary of the direct-indirect band gap transition, which can be attributed to the increase of degeneracy of energy valleys at the transition point. By comparing the structure of BP with SnSe, a family of potential TE materials with hinge-like structure are suggested. This study not only exposes various novel properties of BP under strain, but also proposes effective strategies to seek for better TE materials. PMID:25374306

The impact behaviour of silk cocoons.

PubMed

Chen, Fujia; Hesselberg, Thomas; Porter, David; Vollrath, Fritz

2013-07-15

Silk cocoons, constructed by silkmoths (Lepidoptera), are protective structural composites. Some cocoons appear to have evolved towards structural and material optimisation in order to sustain impact strikes from predators and hinder parasite ingress. This study investigates the protective properties of silk cocoons with different morphologies by evaluating their impact resistance and damage tolerance. Finite element analysis was used to analyse empirical observations of the quasi-static impact response of the silk cocoons, and to evaluate the separate benefits of the structures and materials through the deformation and damage mechanism. We use design principles from composite engineering in order to understand the structure-property-function relationship of silkworm cocoons. Understanding the highly evolved survival strategies of the organisms building natural cocoons will hopefully lead to inspiration that in turn could lead to improved composite design.

Structural and electronic properties of LaPd2As2 superconductor: First-principle calculations

NASA Astrophysics Data System (ADS)

Singh, Birender; Kumar, Pradeep

2017-05-01

In present work we have studied electronic and structural properties of superconducting LaPd2As2 compound having collapsed tetragonal structure using first-principle calculations. The band structure calculations show that the LaPd2As2 is metallic consistent with the reported experimental observation, and the density of states plots clearly shows that at the Fermi level major contribution to density of states arises from Pd 4d and As 4p states, unlike the Fe-based superconductors where major contribution at the Fermi level comes from Fe 3d states. The estimated value of electron-phonon coupling is found to be 0.37, which gives the upper bound of superconducting transition temperature of 5K, suggesting the conventional nature of this superconductor.

Investigation of the annealing temperature effect on structural, morphology, dielectric and magnetic properties of BiFeO3 nanoparticles

NASA Astrophysics Data System (ADS)

Ranjbar, M.; Ghazi, M. E.; Izadifard, M.

2018-06-01

In this paper we have investigated the annealing temperature effect on the structure, morphology, dielectric and magnetic properties of sol-gel synthesized multiferroic BiFeO3 nanoparticles. X-ray diffraction spectroscopy revealed that all the samples have rhombohedrally distorted perovskite structure and the most pure BFO phase is obtained on the sample annealed at 800 °C. Field emission scanning electron microscopy (FESEM) revealed that increasing annealing temperature would increase the particle size. Decrease in dielectric constant was also observed by increasing annealing temperature. Vibrating sample method (VSM) analysis confirmed that samples annealed at 500-700 °C with particle size below the BFO's spiral spin structure length, have well saturated M-H curve and show ferromagnetic behavior.

Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces

DOE PAGES

Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; ...

2016-07-26

Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions and superconducting ground states. In contrast, few of these phenomena have so far been observed in low-dimensional molecular structures, including thin films, nanoparticles and molecular blends, not in the least because most of such structures have so far been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional molecular structures of ionic molecules toward fundamental studies and potential applications. Here we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctivemore » property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of 1:1 ratio in the bulk. We propose the existence of the surface phase-diagram that controls the structures of TTF-TCNQ on the surfaces, and demonstrate phase-transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram and the corresponding phase-transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases.« less

Structures and spectroscopic properties of nonperipherally and peripherally substituted metal-free phthalocyanines: a substitution effect study based on density functional theory calculations.

PubMed

Zhong, Aimin; Zhang, Yuexing; Bian, Yongzhong

2010-11-01

The molecular structures, molecular orbitals, atomic charges, electronic absorption spectra, and infrared (IR) and Raman spectra of a series of substituted metal-free phthalocyanine compounds with four (1, 3, 5, 7) or eight (2, 4, 6, 8) methoxyl (1, 2, 5, 6) or methylthio groups (3, 4, 7, 8) on the nonperipheral (1-4) or peripheral positions (5-8) of the phthalocyanine ring are studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The calculated structural parameters and simulated electronic absorption and IR spectra are compared with the X-ray crystallography structures and the experimentally observed electronic absorption and IR spectra of the similar molecules, and good agreement between the calculated and experimental results is found. The substitution of the methoxyl or methylthio groups at the nonperipheral positions of the phthalocyanine ring has obvious effects on the molecular structure and spectroscopic properties of the metal-free phthalocyanine. Nonperipheral substitution has a more significant influence than peripheral substitution. The substitution effect increases with an increase in the number of substituents. The methylthio group shows more significant influence than the methoxyl group, despite the stronger electron-donating property of the methoxyl group than the methylthio group. The octa-methylthio-substituted metal-free phthalocyanine compounds have nonplanar structures whose low-lying occupied molecular orbitals and electronic absorption spectra are significantly changed by the substituents. The present systematical study will be helpful for understanding the relationship between structures and properties in phthalocyanine compounds and designing phthalocyanines with typical properties. Copyright © 2010 Elsevier Inc. All rights reserved.

Thermophysical Properties of Liquid Te: Density, Electrical Conductivity, and Viscosity

NASA Technical Reports Server (NTRS)

Li, C.; Su, C.; Lehoczky, S. L.; Scripa, R. N.; Ban, H.; Lin, B.

2004-01-01

The thermophysical properties of liquid Te, namely, density, electrical conductivity, and viscosity, were determined using the pycnometric and transient torque methods from the melting point of Te (723 K) to approximately 1150 K. A maximum was observed in the density of liquid Te as the temperature was increased. The electrical conductivity of liquid Te increased to a constant value of 2.89 x 10(exp 5 OMEGA-1m-1) as the temperature was raised above 1000 K. The viscosity decreased rapidly upon heating the liquid to elevated temperatures. The anomalous behaviors of the measured properties are explained as caused by the structural transitions in the liquid and discussed in terms of Eyring's and Bachiskii's predicted behaviors for homogeneous liquids. The Properties were also measured as a function of time after the liquid was coded from approximately 1173 or 1123 to 823 K. No relaxation phenomena were observed in the properties after the temperature of liquid Te was decreased to 823 K, in contrast to the relaxation behavior observed for some of the Te compounds.

Photo-Darkening Kinetics and Structural Anisotropic Modifications in the Chalcogenide Glass Arsenic Trisulfide: a Study of Kinetic X-Ray Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Jay Min

1990-08-01

The purpose of the study is to investigate the mechanisms involved with photo-induced atomic structural modifications in the chalcogenide glass As_2 S_3. This glass exhibits the reversible effects of photo-darkening followed by thermal bleaching. We observed the time behavior of photo-induced properties under the influence of linearly polarized band -gap light. In a macroscopic optical investigation, we monitor optical changes in the photo-darkening process, and in a local structural probe we study kinetic (or time -resolved dispersive) x-ray absorption spectroscopy. Our observations center on kinetic phenomena and structural modifications induced by polarized excitation of lone-pair orbitals in the chalcogenide glass. Experimental results include the following observations: (i) The polarity of the optically induced anisotropy is critically dependent on the intensity and the polarization of the band-gap irradiation beam. (ii) The near edge peak height in x-ray absorption spectra shows subtle but sensitive change during the photo-darkening process. (iii) Photon intensity dependent dichroic kinetics reflect a connection between the optically probed macroscopic property and the x-ray probed local anisotropic structure. Analysis of the x-ray absorption results includes a computer simulation of the polarized absorption spectra. These results suggest that specific structural units tend to orient themselves with respect to the photon polarization. A substantial part of the analysis involves a major effort in dealing with the x-ray kinetic data manipulation and the experimental difficulties caused by a synchrotron instability problem. Based on our observations, we propose a possible mechanism for the observed photo-structural modifications. Through a model of computer relaxed photo-darkening kinetics, we support the notion that a twisting of a specific intermediate range order structure is responsible for local directional variations and global network distortions. In the course of this study, we refine knowledge of intermediate range order structural configurations and the bistabilities related to these configurations. The importance of the lone-pair orbital interactions in the chalcogenide glassy network is underscored.

Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walters, Diane M; Antony, Lucas; de Pablo, Juan

High thermal stability and anisotropic molecular orientation enhance the performance of vapor-deposited organic semiconductors, but controlling these properties is a challenge in amorphous materials. To understand the influence of molecular shape on these properties, vapor-deposited glasses of three disk-shaped molecules were prepared. For all three systems, enhanced thermal stability is observed for glasses prepared over a wide range of substrate temperatures and anisotropic molecular orientation is observed at lower substrate temperatures. For two of the disk-shaped molecules, atomistic simulations of thin films were also performed and anisotropic molecular orientation was observed at the equilibrium liquid surface. We find that themore » structure and thermal stability of these vapor-deposited glasses results from high surface mobility and partial equilibration toward the structure of the equilibrium liquid surface during the deposition process. For the three molecules studied, molecular shape is a dominant factor in determining the anisotropy of vapor-deposited glasses.« less

Growth and properties of electrodeposited transparent Al-doped ZnO nanostructures

NASA Astrophysics Data System (ADS)

Baka, O.; Mentar, L.; Khelladi, M. R.; Azizi, A.

2015-12-01

Al-doped zinc oxide (AZO) nanostructures were fabricated on fluorine-doped tin-oxide (FTO)- coated glass substrates by using electrodeposition. The effects of the doping concentration of Al on the morphological, microstructural, electrical and optical properties of the nanostructures were investigated. From the field emission scanning electron microscopy (FE-SEM) observation, when the amount of Al was increased in the solution, the grains size was observed to decreases. The observed changes in the morphology indicate that Al acts as nucleation centers in the vacancy sites of ZnO and destroys the crystalline structure at high doping level. Effectively, the X-ray diffraction (XRD) analysis indicated that the undoped and the doped ZnO nanostructures has a polycrystalline nature and a hexagonal wurtzite structure with a (002) preferential orientation. The photoluminescence (PL) room-temperature measurements showed that the incorporation of Al in the Zn lattice can improve the intensity of ultraviolet (UV) emission, thus suggesting its greater prospects for use in UV optoelectronic devices.

Valence holes observed in nanodiamonds dispersed in water

NASA Astrophysics Data System (ADS)

Petit, Tristan; Pflüger, Mika; Tolksdorf, Daniel; Xiao, Jie; Aziz, Emad F.

2015-02-01

Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed.Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed. Electronic supplementary information (ESI) available: Experimental methods, details on XAS/XES normalization and background correction procedures. See DOI: 10.1039/c4nr06639a

Observed Spatial and Temporal Variability of Subglacial Discharge-Driven Plumes in Greenland's Outlet Glacial Fjords

NASA Astrophysics Data System (ADS)

Sutherland, D.; Carroll, D.; Nash, J. D.; Shroyer, E.; Mickett, J.; Stearns, L. A.; Fried, M.; Bartholomaus, T.; Catania, G. A.

2015-12-01

Hydrographic and velocity observations in Greenland's outlet glacier fjords have revealed, unsurprisingly, a rich set of dynamics over a range of spatial and temporal scales. Through teasing apart the distinct processes that control circulation within these fjords, we are likely to better understand the impact of fjord circulation on modulating outlet glacier dynamics, and thus, changes in Greenland Ice Sheet mass balance. Here, we report on data from the summers of 2013-2015 in two neighboring fjords in the Uummannaq Bay region of west Greenland: Kangerlussuup Sermia (KS) and Rink Isbræ (RI). We find strong subglacial discharge driven plumes in both systems that evolve on synoptic and seasonal time scales, without the complicating presence of other circulation processes. The plumes both modify fjord water properties and respond to differences in ambient water properties, supporting the notion that a feedback exists between subglacial discharge plume circulation and water mass properties. This feedback between subglacial discharge and water properties potentially influences submarine melt rates at the glacier termini. Observed plume properties, including the vertical structure of velocity, and temperature and salinity anomalies, are compared favorably to model estimates. In KS, we find a near-surface intensified plume with high sediment content that slows and widens as it evolves downstream. In contrast, the plume in RI is entirely subsurface, ranging from 100-300 m depth at its core during summer, although it shows similar temperature, salinity, and optical backscatter signals to the KS plume. Importantly, the distinct vertical plume structures imprint on the overall water mass properties found in each fjord, raising the minimum temperatures by up to 1-2°C in the case of RI.

Plasma sheet low-entropy flow channels and dipolarization fronts from macro to micro scales: Global MHD and PIC simulations

NASA Astrophysics Data System (ADS)

Merkin, V. G.; Wiltberger, M. J.; Sitnov, M. I.; Lyon, J.

2016-12-01

Observations show that much of plasma and magnetic flux transport in the magnetotail occurs in the form of discrete activations such as bursty bulk flows (BBFs). These flow structures are typically associated with strong peaks of the Z-component of the magnetic field normal to the magnetotail current sheet (dipolarization fronts, DFs), as well as density and flux tube entropy depletions also called plasma bubbles. Extensive observational analysis of these structures has been carried out using data from Geotail spacecraft and more recently from Cluster, THEMIS, and MMS multi-probe missions. Global magnetohydrodynamic (MHD) simulations of the magnetosphere reveal similar plasma sheet flow bursts, in agreement with regional MHD and particle-in-cell (PIC) models. We present results of high-resolution simulations using the Lyon-Fedder-Mobarry (LFM) global MHD model and analyze the properties of the bursty flows including their structure and evolution as they propagate from the mid-tail region into the inner magnetosphere. We highlight similarities and differences with the corresponding observations and discuss comparative properties of plasma bubbles and DFs in our global MHD simulations with their counterparts in 3D PIC simulations.

Cardiolipin effects on membrane structure and dynamics.

PubMed

Unsay, Joseph D; Cosentino, Katia; Subburaj, Yamunadevi; García-Sáez, Ana J

2013-12-23

Cardiolipin (CL) is a lipid with unique properties solely found in membranes generating electrochemical potential. It contains four acyl chains and tends to form nonlamellar structures, which are believed to play a key role in membrane structure and function. Indeed, CL alterations have been linked to disorders such as Barth syndrome and Parkinson's disease. However, the molecular effects of CL on membrane organization remain poorly understood. Here, we investigated the structure and physical properties of CL-containing membranes using confocal microscopy, fluorescence correlation spectroscopy, and atomic force microscopy. We found that the fluidity of the lipid bilayer increased and its mechanical stability decreased with CL concentration, indicating that CL decreases the packing of the membrane. Although the presence of up to 20% CL gave rise to flat, stable bilayers, the inclusion of 5% CL promoted the formation of flowerlike domains that grew with time. Surprisingly, we often observed two membrane-piercing events in atomic force spectroscopy experiments with CL-containing membranes. Similar behavior was observed with a lipid mixture mimicking the mitochondrial outer membrane composition. This suggests that CL promotes the formation of membrane areas with apposed double bilayers or nonlamellar structures, similar to those proposed for mitochondrial contact sites. All together, we show that CL induces membrane alterations that support the role of CL in facilitating bilayer structure remodeling, deformation, and permeabilization.

Anomalous behaviour of thermodynamic properties at successive phase transitions in (NH4)3GeF7

NASA Astrophysics Data System (ADS)

Bogdanov, Evgeniy V.; Kartashev, Andrey V.; Pogoreltsev, Evgeniy I.; Gorev, Mikhail V.; Laptash, Natalia M.; Flerov, Igor N.

2017-12-01

Heat capacity, thermal dilatation, susceptibility to hydrostatic pressure and dielectric properties associated with succession of three phase transitions below room temperature in double fluoride salt (NH4)3GeF7 were studied. A possible transformation into the parent Pm-3m cubic phase was not observed up to the decomposition of compound. Nonferroelectric nature of structural distortions was confirmed. The DTA under pressure studies revealed a high temperature stability of two phases: P4/mbm and Pbam. The entropies of the phase transitions agree well with the model of structural distortions. Analysis of the thermal properties associated with the individual phase transitions in the framework of thermodynamic equations has shown a high reliability of the data obtained.

Synthetic study on the relationship between structure and sweet taste properties of steviol glycosides.

PubMed

Upreti, Mani; Dubois, Grant; Prakash, Indra

2012-04-05

The structure activity relationship between the C₁₆-C₁₇ methylene double bond on the aglycone of steviol glycosides and the corresponding impact on their sweet taste has been reported here for the first time. It has been observed that converting stevioside and rebaudioside A to their corresponding ketones by switching the doubly bonded methylene on C-17 for a ketone group actually removes the sweet taste properties of these molecules completely. Regenerating the original molecules tends to restore the sweet taste of both the steviol glycosides. Thus this C₁₆-C₁₇ methylene double bond in rebaudioside A and stevioside can be regarded as a pharmacophore essential for the sweetness property of these molecules.

Effects of Dynamical Evolution on Globular Clusters’ Internal Kinematics

NASA Astrophysics Data System (ADS)

Tiongco, Maria; Vesperini, Enrico; Varri, Anna Lisa

2018-01-01

The synergy between recent photometric, spectroscopic, and astrometric studies is revealing that globular clusters deviate from the traditional picture of dynamically simple and single stellar population systems. Complex kinematical features such as velocity anisotropy and rotation, and the existence of multiple stellar populations are some of the key observational findings. My thesis work has aimed to build a theoretical framework to interpret these new observational results and to understand their link with a globular cluster’s dynamical history.I have focused on the study of the evolution of globular clusters' internal kinematics, as driven by two-body relaxation, and the interplay between internal angular momentum and the external Galactic tidal field. With a specifically-designed, large survey of direct N-body simulations, I have explored the three-dimensional structure of the velocity space of tidally-perturbed clusters, by characterizing their degree of anisotropy and their rotational properties. These studies have proved that a cluster's kinematical properties contain a distinct imprints of the cluster’s initial structural properties, dynamical history, and tidal environment. By relaxing a number of simplifying assumptions that are traditionally imposed, I have also showed how the interplay between a cluster's internal evolution and the interaction with the host galaxy can produce complex morphological and kinematical properties, such as a counter-rotating core and a twisting of the projected isodensity contours.Building on this fundamental understanding, I have then studied the dynamics of multiple stellar populations in globular clusters, with attention to the largely unexplored role of angular momentum. I have analyzed the evolution of clusters with stellar populations characterized by different initial structural and kinematical properties to determine how long these differences are preserved, and in what cases they could still be observable in present-day systems.This body of results provides essential guidance for a meaningful interpretation of the emerging dynamical complexity of globular clusters in the era of Gaia and other upcoming large spectroscopic surveys.

Structural and electronic properties of chiral single-wall copper nanotubes

NASA Astrophysics Data System (ADS)

Duan, YingNi; Zhang, JianMin; Xu, KeWei

2014-04-01

The structural, energetic and electronic properties of chiral ( n, m) (3⩽ n⩽6, n/2⩽ m⩽ n) single-wall copper nanotubes (CuNTs) have been investigated by using projector-augmented wave method based on density-functional theory. The (4, 3) CuNT is energetically stable and should be observed experimentally in both free-standing and tip-suspended conditions, whereas the (5, 5) and (6, 4) CuNTs should be observed in free-standing and tip-suspended conditions, respectively. The number of conductance channels in the CuNTs does not always correspond to the number of atomic strands comprising the nanotube. Charge density contours show that there is an enhanced interatomic interaction in CuNTs compared with Cu bulk. Current transporting states display different periods and chirality, the combined effects of which lead to weaker chiral currents on CuNTs.

Production and Structural Investigation of Polyethylene Composites with Modified Kaolin

NASA Astrophysics Data System (ADS)

Domka, L.; Malicka, A.; Stachowiak, N.

2008-08-01

The study was undertaken to evaluate the effect of the filler (kaolin) modification with silane coupling agents on the properties of the polyethylene (HDPE Hostalen ACP 5831) composites. Powder mineral fillers are added to polymers to modify the properties of the latter and to reduce the cost of their production. A very important factor is the filler dispersion in the polymer matrix. Kaolin modified with 3-methacryloxypropyltrimethoxysilane and pure kaolin were characterised by surface area, pore size, water absorbing capacity, paraffin oil absorbing capacity, bulk density, scanning electron microscopy observations and X-ray diffraction measurements. Their performance was characterised by determination of the mechanical resistance upon static stretching and tearing, and their structure was observed in scanning electron microscopy images. The results were compared to those obtained for the composites with unmodified filler and pure HDPE.

Application of satellite data in observational and theoretical studies of the evolving structure of baroclinic waves

NASA Technical Reports Server (NTRS)

Saltzman, Barry

1987-01-01

A variety of observational and theoretical studies were performed which were designed to clarify the relationship between satellite measurements of cloud and radiation and the evolution of transient and stationary circulation in middle latitudes. Satellite outgoing longwave radiation data are used to: (1) estimate the generation of available potential energy due to infrared radiation, and (2) show the extent to which these data can provide the signature of high and low frequency weather phenomena including blocking. In a significant series of studies the nonlinear, energetical, and predictability properties of these blocking situations, and the ralationship of blocking to the planetary, scale longwave structure are described. These studies form the background for continuing efforts to describe and theoretically account for these low frequency planetary wave phenomena in terms of their bimodal properties.

The phantom leaf effect: a replication, part 1.

PubMed

Hubacher, John

2015-02-01

To replicate the phantom leaf effect and demonstrate a possible means to directly observe properties of the biological field. Thirty percent to 60% of plant leaves were amputated, and the remaining leaf sections were photographed with corona discharge imaging. All leaves were cut before placement on film. A total of 137 leaves were used. Plant leaves of 14 different species. Ninety-six phantom leaf specimens were successfully obtained; 41 specimens did not yield the phantom leaf effect. A normally undetected phantom "structure," possibly evidence of the biological field, can persist in the area of an amputated leaf section, and corona discharge can occur from this invisible structure. This protocol may suggest a testable method to study properties of conductivity and other parameters through direct observation of the complete biological field in plant leaves, with broad implications for biology and physics.

Influence of substrate misorientation on the photoluminescence and structural properties of InGaAs/GaAsP multiple quantum wells

NASA Astrophysics Data System (ADS)

Dong, Hailiang; Sun, Jing; Ma, Shufang; Liang, Jian; Lu, Taiping; Liu, Xuguang; Xu, Bingshe

2016-03-01

InGaAs/GaAsP multiple quantum wells (MQWs) were grown by metal-organic chemical vapor deposition on vicinal GaAs (001) substrates with different miscut angles of 0°, 2° and 15° towards [110]. The crystal structures of InGaAs/GaAsP were characterized by high-resolution X-ray diffraction and Raman spectroscopy. The surface morphologies of InGaAs/GaAsP MQWs were observed by atomic force microscopy. The mechanisms for step flow, step bunching and pyramid growth on 0°, 2° and 15° misoriented substrates were discussed. The results provide a comprehensive phenomenological understanding of the self-ordering mechanism of vicinal GaAs substrates, which could be harnessed for designing the quantum optical properties of low-dimensional systems. From low-temperature photoluminescence, it was observed that the luminescence from the MQWs grown on a vicinal surface exhibits a red-shift with respect to the 0° case. An extra emission was observed from the 2° and 15° off samples, indicating the characteristics of quantum wire and pyramidal self-controlled quantum-dot systems, respectively. Its absence from the PL spectrum on 0° surfaces indicates that indium segregation is modified on the surfaces. The relationship between InGaAs/GaAsP MQWs grown on vicinal substrates and their optical and structural properties was explained, which provides a technological basis for obtaining different self-controlled nanostructures.

Self-assembled indium arsenide quantum dots: Structure, formation dynamics, optical properties

NASA Astrophysics Data System (ADS)

Lee, Hao

1998-12-01

In this dissertation, we investigate the properties of InAs/GaAs quantum dots grown by molecular beam epitaxy. The structure and formation dynamics of InAs quantum dots are studied by a variety of structural characterization techniques. Correlations among the growth conditions, the structural characteristics, and the observed optical properties are explored. The most fundamental structural characteristic of the InAs quantum dots is their shape. Through detailed study of the reflection high energy electron diffraction patterns, we determined that self-assembled InAs islands possess a pyramidal shape with 136 bounding facets. Cross-sectional transmission electron microscopy images and atomic force microscopy images strongly support this model. The 136 model we proposed is the first model that is consistent with all reported shape features determined using different methods. The dynamics of coherent island formation is also studied with the goal of establishing the factors most important in determining the size, density, and the shape of self- organized InAs quantum dots. Our studies clearly demonstrate the roles that indium diffusion and desorption play in InAs island formation. An unexpected finding (from atomic force microscopy images) was that the island size distribution bifurcated during post- growth annealing. Photoluminescence spectra of the samples subjected to in-situ annealing prior to the growth of a capping layer show a distinctive double-peak feature. The power-dependence and temperature-dependence of the photoluminescence spectra reveals that the double- peak emission is associated with the ground-state transition of islands in two different size branches. These results confirm the island size bifurcation observed from atomic force microscopy images. The island size bifurcation provides a new approach to the control and manipulation of the island size distribution. Unexpected dependence of the photoluminescence line-shape on sample temperature and pump intensity was observed for samples grown at relatively high substrate temperatures. The behavior is modeled and explained in terms of competition between two overlapping transitions. The study underscores that the growth conditions can have a dramatic impact on the optical properties of the quantum dots. This dissertation includes both my previously published and unpublished authored materials.

Role of bromine doping on the photovoltaic properties and microstructures of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suzuki, Atsushi; Okada, Hiroshi; Oku, Takeo

Organic-inorganic hybrid heterojunction solar cells containing CH{sub 3}NH{sub 3}PbI{sub 3} perovskite compound were fabricated using mesoporous TiO{sub 2} as the electronic transporting layer and spirobifluorence as the hole-transporting layer. The purpose of the present study is to investigate role of bromine (Br) doping on the photovoltaic properties and microstructure of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells. Photovoltaic, optical properties and microstructures of perovskite-based solar cells were investigated. The X-ray diffraction identified crystal structure of the perovskite layer doped with Br in the solar cell. Scanning electron microscopy observation showed a different behavior of surface morphology and the perovskite crystalmore » structure on the TiO{sub 2} mesoporous structure depending on extent amount of hydrogen doping of Br. The role of bromide halogen doping on the perovskite crystal structure and photovoltaic properties was due to improvement of carrier mobility, optimization of electron structure, band gap related with the photovoltaic parameters of V{sub oc}, J{sub sc} and η. Energy diagram and photovoltaic mechanism of the perovskite solar cells varied with halogen doping was discussed by experimental results.« less

Structural properties of zirconia - in-situ high temperature XRD characterization

NASA Astrophysics Data System (ADS)

Kurpaska, Lukasz

2018-07-01

In this work, the effect of high temperature on structural properties of pure zirconium have been investigated. In-situ X-ray diffraction analysis of the oxide layer formed at temperature window 25-600 °C on pure zirconium were performed. Conducted experiment aimed at investigation of the zirconia phases developed on surface of the metallic substrate. Based on the conducted studies, possible stress state (during heating, continuous oxidation and cooling), cell parameters and HWHM factor were analyzed. A tetragonal and monoclinic phases peak shifts and intensities change were observed, suggesting that different phases react in different way upon temperature effect.

Theoretical exploration of structural, electro-optical and magnetic properties of gallium-doped silicon carbide nanotubes

NASA Astrophysics Data System (ADS)

Behzad, Somayeh; Chegel, Raad; Moradian, Rostam; Shahrokhi, Masoud

2014-09-01

The effects of gallium doping on the structural, electro-optical and magnetic properties of (8,0) silicon carbide nanotube (SiCNT) are investigated by using spin-polarized density functional theory. It is found from the calculation of the formation energies that gallium substitution for silicon atom is preferred. Our results show that gallium substitution at either single carbon or silicon atom site in SiCNT could induce spontaneous magnetization. The optical studies based on dielectric function indicate that new transition peaks and a blue shift are observed after gallium doping.

Effect of pH on chitosan hydrogel polymer network structure.

PubMed

Xu, Hongcheng; Matysiak, Silvina

2017-06-29

Chitosan is a molecule that can form water-filled 3D polymer networks with a wide range of applications. A new coarse-grained model for chitosan hydrogel was developed to explore its pH-dependent self-assembly behavior and mechanical properties. Our results indicate that the underlying polymer physical crosslinking pattern induced by solution pH has a significant effect on hydrogel elastic moduli. With this model, we obtain pH-dependent structural and mechanical property changes in agreement with experimental observations, and provide a molecular mechanism behind the changes in polymer crosslinking patterns.

Analysis of Crushing Response of Composite Crashworthy Structures

NASA Astrophysics Data System (ADS)

David, Matthew; Johnson, Alastair F.; Voggenreiter, H.

2013-10-01

The paper describes quasi-static and dynamic tests to characterise the energy absorption properties of polymer composite crash energy absorbing segment elements under axial loads. Detailed computer tomography scans of failed specimens are used to identify local compression crush failure mechanisms at the crush front. The varied crushing morphology between the compression strain rates identified in this paper is observed to be due to the differences in the response modes and mechanical properties of the strain dependent epoxy matrix. The importance of understanding the role of strain rate effects in composite crash energy absorbing structures is highlighted in this paper.

An Analytical Diffusion–Expansion Model for Forbush Decreases Caused by Flux Ropes

NASA Astrophysics Data System (ADS)

Dumbović, Mateja; Heber, Bernd; Vršnak, Bojan; Temmer, Manuela; Kirin, Anamarija

2018-06-01

We present an analytical diffusion–expansion Forbush decrease (FD) model ForbMod, which is based on the widely used approach of an initially empty, closed magnetic structure (i.e., flux rope) that fills up slowly with particles by perpendicular diffusion. The model is restricted to explaining only the depression caused by the magnetic structure of the interplanetary coronal mass ejection (ICME). We use remote CME observations and a 3D reconstruction method (the graduated cylindrical shell method) to constrain initial boundary conditions of the FD model and take into account CME evolutionary properties by incorporating flux rope expansion. Several flux rope expansion modes are considered, which can lead to different FD characteristics. In general, the model is qualitatively in agreement with observations, whereas quantitative agreement depends on the diffusion coefficient and the expansion properties (interplay of the diffusion and expansion). A case study was performed to explain the FD observed on 2014 May 30. The observed FD was fitted quite well by ForbMod for all expansion modes using only the diffusion coefficient as a free parameter, where the diffusion parameter was found to correspond to an expected range of values. Our study shows that, in general, the model is able to explain the global properties of an FD caused by a flux rope and can thus be used to help understand the underlying physics in case studies.

Resolving structural influences on water-retention properties of alluvial deposits

USGS Publications Warehouse

Winfield, K.A.; Nimmo, J.R.; Izbicki, J.A.; Martin, P.M.

2006-01-01

With the goal of improving property-transfer model (PTM) predictions of unsaturated hydraulic properties, we investigated the influence of sedimentary structure, defined as particle arrangement during deposition, on laboratory-measured water retention (water content vs. potential [??(??)]) of 10 undisturbed core samples from alluvial deposits in the western Mojave Desert, California. The samples were classified as having fluvial or debris-flow structure based on observed stratification and measured spread of particle-size distribution. The ??(??) data were fit with the Rossi-Nimmo junction model, representing water retention with three parameters: the maximum water content (??max), the ??-scaling parameter (??o), and the shape parameter (??). We examined trends between these hydraulic parameters and bulk physical properties, both textural - geometric mean, Mg, and geometric standard deviation, ??g, of particle diameter - and structural - bulk density, ??b, the fraction of unfilled pore space at natural saturation, Ae, and porosity-based randomness index, ??s, defined as the excess of total porosity over 0.3. Structural parameters ??s and Ae were greater for fluvial samples, indicating greater structural pore space and a possibly broader pore-size distribution associated with a more systematic arrangement of particles. Multiple linear regression analysis and Mallow's Cp statistic identified combinations of textural and structural parameters for the most useful predictive models: for ??max, including Ae, ??s, and ??g, and for both ??o and ??, including only textural parameters, although use of Ae can somewhat improve ??o predictions. Textural properties can explain most of the sample-to-sample variation in ??(??) independent of deposit type, but inclusion of the simple structural indicators Ae and ??s can improve PTM predictions, especially for the wettest part of the ??(??) curve. ?? Soil Science Society of America.

Microgels at the Water/Oil Interface: In Situ Observation of Structural Aging and Two-Dimensional Magnetic Bead Microrheology.

PubMed

Huang, Shilin; Gawlitza, Kornelia; von Klitzing, Regine; Gilson, Laurent; Nowak, Johannes; Odenbach, Stefan; Steffen, Werner; Auernhammer, Günter K

2016-01-26

Stimuli-responsive microgels can be used as stabilizers for emulsions. However, the details of structure and the viscoelastic property of the microgel-laden interface are still not well-known. We synthesized fluorescently labeled microgels and used confocal microscopy to observe their arrangement at the water/oil interface. The microgels aggregated spontaneously at the interface, and the aggregated structure reorganized due to thermal motion. The structure of the interfacial layer formed by microgels depended on the microgel concentration at the interface. We suggest that the structure was controlled by the aggregation and adsorption of microgels at the interface. The interparticle separation between microgels at the interface decreased over time, implying a slow aging process of the microgels at the interface. Magnetic beads were introduced at the interface and used to trigger deformation of the microgel layer. Under compression and shear the microgels in the aggregated structure rearranged, leading to plastic deformation, and some elastic responses were also observed.

The integrated motion measurement simulation for SOFIA

NASA Astrophysics Data System (ADS)

Kaswekar, Prashant; Greiner, Benjamin; Wagner, Jörg

2014-07-01

The Stratospheric Observatory for Infrared Astronomy SOFIA consists of a B747-SP aircraft, which carries aloft a 2.7-meter reflecting telescope. The image stability goal for SOFIA is 0:2 arc-seconds rms. The performance of the telescope structure is affected by elastic vibrations induced by aeroacoustic and suspension disturbances. Active compensation of such disturbances requires a fast way of estimating the structural motion. Integrated navigation systems are examples of such estimation systems. However they employ a rigid body assumption. A possible extension of these systems to an elastic structure is shown by different authors for one dimensional beam structures taking into account the eigenmodes of the structural system. The rigid body motion as well as the flexible modes of the telescope assembly, however, are coupled among the three axes. Extending a special mathematical approach to three dimensional structures, the aspect of a modal observer based on integrated motion measurement is simulated for SOFIA. It is in general a fusion of different measurement methods by using their benefits and blinding out their disadvantages. There are no mass and stillness properties needed directly in this approach. However, the knowledge of modal properties of the structure is necessary for the implementation of this method. A finite-element model is chosen as a basis to extract the modal properties of the structure.

Tuning the conformational properties of the prion peptide.

PubMed

Ho, Chai-Chi; Lee, Lily Y-L; Huang, Kuo-Ting; Lin, Chun-Cheng; Ku, Mei-Yun; Yang, Chien-Chih; Chan, Sunney I; Hsu, Ruei-Lin; Chen, Rita P-Y

2009-07-01

Previously, we disclosed that O-linked glycosylation of Ser-132 or Ser-135 could dramatically change the amyloidogenic property of the hamster prion peptide (sequence 108-144). This peptide, which corresponds to the flexible loop and the first beta-strand in the structure of the prion protein, is a random coil when it is initially dissolved in buffer, but amyloid fibrils are formed with time. Thus, it offers a convenient model system to observe and compare how different chemical modifications and sequence mutations alter the amyloidogenic property of the peptide within a reasonable experimental time frame. In our earlier study, aside from uncovering a site-specificity of the glycosylation on the fibrillogenesis, different effects of alpha-GalNAc and beta-GlcNAc were observed. In this work, we explore further how different sugar configurations affect the conformational property of the polypeptide chain. We compare the effects of O-linked glycosylation by the common sugars alpha-GalNAc, beta-GlcNAc with their non-native analogs beta-GalNAc, alpha-GlcNAc in an effort to uncover the origin of the sugar-specificity on the fibril formation. We find that the anomeric configuration of the sugar is the most important factor affecting the fibrillogenesis. Sugars with the glycosidic bond in the alpha-configuration at Ser-135 have a dramatic inhibitory effect on the structural conversion of the glycosylated peptide. Because O-glycosylation of Ser-135 with alpha-linked sugars also promote the formation of three slowly converting conformations at the site of glycosylation, we surmise that the amyloidogenic property of the peptide is related to its conformational flexibility, and the proclivity of this region of the peptide to undergo the structural conversion from the random coil to form the beta-structure. Upon O-glycosylation with an alpha-linked sugar, this conversion is inhibited and the nucleation of fibril formation is largely retarded. Consistent with this scenario, Arg-136 is the residue most affected in the TOCSY NMR spectra of the glycosylated peptides, other than the serine site modified. In addition, when Arg-136 is substituted by Gly, a mutation that should provide higher structural flexibility in this part of the peptide, the amyloidogenic property of the peptide is greatly enhanced, and the inhibition effect of glycosylation is largely diminished. These results are consistent with Ser-135 and Arg-136 being part of the kink region involved in the structural conversion.

Communication: The simplified generalized entropy theory of glass-formation in polymer melts.

PubMed

Freed, Karl F

2015-08-07

While a wide range of non-trivial predictions of the generalized entropy theory (GET) of glass-formation in polymer melts agree with a large number of observed universal and non-universal properties of these glass-formers and even for the dependence of these properties on monomer molecular structure, the huge mathematical complexity of the theory precludes its extension to describe, for instance, the perplexing, complex behavior observed for technologically important polymer films with thickness below ∼100 nm and for which a fundamental molecular theory is lacking for the structural relaxation. The present communication describes a hugely simplified version of the theory, called the simplified generalized entropy theory (SGET) that provides one component necessary for devising a theory for the structural relaxation of thin polymer films and thereby supplements the first required ingredient, the recently developed Flory-Huggins level theory for the thermodynamic properties of thin polymer films, before the concluding third step of combining all the components into the SGET for thin polymer films. Comparisons between the predictions of the SGET and the full GET for the four characteristic temperatures of glass-formation provide good agreement for a highly non-trivial model system of polymer melts with chains of the structure of poly(n-α olefins) systems where the GET has produced good agreement with experiment. The comparisons consider values of the relative backbone and side group stiffnesses such that the glass transition temperature decreases as the amount of excess free volume diminishes, contrary to general expectations but in accord with observations for poly(n-alkyl methacrylates). Moreover, the SGET is sufficiently concise to enable its discussion in a standard course on statistical mechanics or polymer physics.

Communication: The simplified generalized entropy theory of glass-formation in polymer melts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freed, Karl F.

2015-08-07

While a wide range of non-trivial predictions of the generalized entropy theory (GET) of glass-formation in polymer melts agree with a large number of observed universal and non-universal properties of these glass-formers and even for the dependence of these properties on monomer molecular structure, the huge mathematical complexity of the theory precludes its extension to describe, for instance, the perplexing, complex behavior observed for technologically important polymer films with thickness below ∼100 nm and for which a fundamental molecular theory is lacking for the structural relaxation. The present communication describes a hugely simplified version of the theory, called the simplifiedmore » generalized entropy theory (SGET) that provides one component necessary for devising a theory for the structural relaxation of thin polymer films and thereby supplements the first required ingredient, the recently developed Flory-Huggins level theory for the thermodynamic properties of thin polymer films, before the concluding third step of combining all the components into the SGET for thin polymer films. Comparisons between the predictions of the SGET and the full GET for the four characteristic temperatures of glass-formation provide good agreement for a highly non-trivial model system of polymer melts with chains of the structure of poly(n-α olefins) systems where the GET has produced good agreement with experiment. The comparisons consider values of the relative backbone and side group stiffnesses such that the glass transition temperature decreases as the amount of excess free volume diminishes, contrary to general expectations but in accord with observations for poly(n-alkyl methacrylates). Moreover, the SGET is sufficiently concise to enable its discussion in a standard course on statistical mechanics or polymer physics.« less

Revisiting Robustness and Evolvability: Evolution in Weighted Genotype Spaces

PubMed Central

Partha, Raghavendran; Raman, Karthik

2014-01-01

Robustness and evolvability are highly intertwined properties of biological systems. The relationship between these properties determines how biological systems are able to withstand mutations and show variation in response to them. Computational studies have explored the relationship between these two properties using neutral networks of RNA sequences (genotype) and their secondary structures (phenotype) as a model system. However, these studies have assumed every mutation to a sequence to be equally likely; the differences in the likelihood of the occurrence of various mutations, and the consequence of probabilistic nature of the mutations in such a system have previously been ignored. Associating probabilities to mutations essentially results in the weighting of genotype space. We here perform a comparative analysis of weighted and unweighted neutral networks of RNA sequences, and subsequently explore the relationship between robustness and evolvability. We show that assuming an equal likelihood for all mutations (as in an unweighted network), underestimates robustness and overestimates evolvability of a system. In spite of discarding this assumption, we observe that a negative correlation between sequence (genotype) robustness and sequence evolvability persists, and also that structure (phenotype) robustness promotes structure evolvability, as observed in earlier studies using unweighted networks. We also study the effects of base composition bias on robustness and evolvability. Particularly, we explore the association between robustness and evolvability in a sequence space that is AU-rich – sequences with an AU content of 80% or higher, compared to a normal (unbiased) sequence space. We find that evolvability of both sequences and structures in an AU-rich space is lesser compared to the normal space, and robustness higher. We also observe that AU-rich populations evolving on neutral networks of phenotypes, can access less phenotypic variation compared to normal populations evolving on neutral networks. PMID:25390641

The Optical Janus Effect: Asymmetric Structural Color Reflection Materials.

PubMed

England, Grant T; Russell, Calvin; Shirman, Elijah; Kay, Theresa; Vogel, Nicolas; Aizenberg, Joanna

2017-08-01

Structurally colored materials are often used for their resistance to photobleaching and their complex viewing-direction-dependent optical properties. Frequently, absorption has been added to these types of materials in order to improve the color saturation by mitigating the effects of nonspecific scattering that is present in most samples due to imperfect manufacturing procedures. The combination of absorbing elements and structural coloration often yields emergent optical properties. Here, a new hybrid architecture is introduced that leads to an interesting, highly directional optical effect. By localizing absorption in a thin layer within a transparent, structurally colored multilayer material, an optical Janus effect is created, wherein the observed reflected color is different on one side of the sample than on the other. A systematic characterization of the optical properties of these structures as a function of their geometry and composition is performed. The experimental studies are coupled with a theoretical analysis that enables a precise, rational design of various optical Janus structures with highly controlled color, pattern, and fabrication approaches. These asymmetrically colored materials will open applications in art, architecture, semitransparent solar cells, and security features in anticounterfeiting materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Variation in the electrical properties of ion beam irradiated cadmium selenate nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chauhan, R. P., E-mail: chauhanrpc@gmail.com; Narula, Chetna; Panchal, Suresh

The key feature of nanowires consists in the pronounced change in properties induced by the low dimensionality and high surface to volume ratio. The study of electrical transport properties of nanowires is important for electronic device applications. Energetic ions create changes, which may be structural or chemical, in a material along their track and these changes might alter the material’s properties. The demand of the modern technology is to understand the effect of radiation on the different properties of the material for its further applications. The present study is on the high-energy Nickel ion beam (160 MeV Ni{sup +12}) induced modificationsmore » in the electrical and structural properties of the cadmium selenate nanowires. An enhancement in the electrical conductivity of irradiated wires was observed as the ion fluence was increased especially in the forward I–V characteristics. The creation of defects by ion irradiation and the synergy of the ions during their passage in the sample with the intrinsic charge carriers may be responsible for the variation in the transport properties of the irradiated nanowires.« less

Rhombic-Shaped Nanostructures and Mechanical Properties of 2D DNA Origami Constructed with Different Crossover/Nick Designs.

PubMed

Ma, Zhipeng; Huang, Yunfei; Park, Seongsu; Kawai, Kentaro; Kim, Do-Nyun; Hirai, Yoshikazu; Tsuchiya, Toshiyuki; Yamada, Hirofumi; Tabata, Osamu

2018-01-01

DNA origami methods enable the fabrication of various nanostructures and nanodevices, but their effective use depends on an understanding of their structural and mechanical properties and the effects of basic structural features. Frequency-modulation atomic force microscopy is introduced to directly characterize, in aqueous solution, the crossover regions of sets of 2D DNA origami based on different crossover/nick designs. Rhombic-shaped nanostructures formed under the influence of flexible crossovers placed between DNA helices are observed in DNA origami incorporating crossovers every 3, 4, or 6 DNA turns. The bending rigidity of crossovers is determined to be only one-third of that of the DNA helix, based on interhelical electrostatic forces reported elsewhere, and the measured pitches of the 3-turn crossover design rhombic-shaped nanostructures undergoing negligible bending. To evaluate the robustness of their structural integrity, they are intentionally and simultaneously stressed using force-controlled atomic force microscopy. DNA crossovers are verified to have a stabilizing effect on the structural robustness, while the nicks have an opposite effect. The structural and mechanical properties of DNA origami and the effects of crossovers and nicks revealed in this paper can provide information essential for the design of versatile DNA origami structures that exhibit specified and desirable properties. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of low-dose irradiation on structural and mechanical properties of hyaline cartilage-like fibrocartilage.

PubMed

Öncan, Tevfik; Demirağ, Burak; Ermutlu, Cenk; Yalçinkaya, Ulviye; Özkan, Lütfü

2013-01-01

The aim of this study was to analyze the effect of low-dose irradiation on fibrous cartilage and to obtain a hyaline cartilage-like fibrocartilage (HCLF) with similar structural and mechanical properties to hyaline cartilage. An osteochondral defect was created in 40 knees of 20 rabbits. At the 7th postoperative day, a single knee of each rabbit was irradiated with a total dose of 5.0 Gy in 1.0 Gy fractions for 5 days (radiotherapy group), while the other knee was not irradiated (control group). Rabbits were then divided into four groups of 5 rabbits each. The first three groups were sacrificed at the 4th, 8th and the 12th postoperative weeks and cartilage defects were macroscopically and microscopically evaluated. The remaining group of 5 rabbits was sacrificed at the 12th week and biomechanical compression tests were performed on the cartilage defects. There was no significant biomechanical difference between the radiotherapy and the control group (p=0.686). There was no significant macroscopic and microscopic difference between groups (p=0.300). Chondrocyte clustering was observed in the irradiated group. Low-dose irradiation does not affect the mechanical properties of HCLF in vivo. However, structural changes such as chondrocyte clustering were observed.

Effect of acid hydrolysis on morphology, structure and digestion property of starch from Cynanchum auriculatum Royle ex Wight.

PubMed

Wang, Xingchi; Wen, Fanting; Zhang, Shurong; Shen, Ruru; Jiang, Wei; Liu, Jun

2017-03-01

Effect of acid hydrolysis on the morphology, structure and digestion property of starch from Cynanchum auriculatum Royle ex Wight was investigated in this study. The hydrolysis degree of C. auriculatum starch rapidly increased to 63.69% after 4days and reached 78.67% at the end of 9days. Morphology observation showed that the starch granules remained intact during the first 4days of hydrolysis. However, serious erosion phenomenon was observed after 5days and starch granules completely fell into pieces after 7days. During acid hydrolysis process, the crystal type of hydrolyzed starch changed from original C B -type to final A-type. Small-angle X-ray scattering patterns showed the semi-crystalline growth rings started to be hydrolyzed after 4days. The proportions of single helix and amorphous components as well as amylose content in starch gradually decreased, whereas the proportion of double helix components continuously increased during acid hydrolysis. However, the contents of rapidly digestible starch, slowly digestible starch and resistant starch were almost constant during acid hydrolysis process, indicating the in vitro digestion property of C. auriculatum starch was not affected by acid hydrolysis. Our results provided novel information on the inner structure of C. auriculatum starch granules. Copyright © 2017 Elsevier B.V. All rights reserved.

Large anisotropic thermoelectricity in perovskite related layered structure: SrnNbnO3n+2 (n=4,5)

NASA Astrophysics Data System (ADS)

Sakai, Akihiro; Kanno, Tsutomu; Takahashi, Kouhei; Yamada, Yuka; Adachi, Hideaki

2010-11-01

We measured the thermal and charge transport properties of perovskite-related layered structures. Strontium-Niobates, which were expressed as SrnNbnO3n+2 (n =4: Sr1.8La0.2Nb2O7, n =5: Sr5Nb5O17), to explore their thermoelectricities and thermal anisotropies. The behaviors of the thermoelectric parameters (thermal conductivity, Seebeck coefficient, resistivity) were strongly anisotropic in all crystallographic axes (a, b, and c) and large anisotropy exists even in the in-plane direction of the layered structure. Especially, along the a-axis in which corner-sharing NbO6 octahedra aligned straightly, contrastive properties were observed between Sr1.8La0.2Nb2O7 and Sr5Nb5O17. For Sr1.8La0.2Nb2O7, a thermally activated charge conduction is pronounced in the temperature dependence of Seebeck coefficient and resistivity, on the other hand, it was a metallic nature for Sr5Nb5O17. In both compounds, ZT results in anisotropic due to the anisotropic properties of thermoelectric parameters, the best performance is commonly observed in the a-axis. The respective ZT values at room temperature are 3.5×10-2 and 3.6×10-3.

The preparation and structure of salty ice VII under pressure

NASA Astrophysics Data System (ADS)

Klotz, Stefan; Bove, Livia E.; Strässle, Thierry; Hansen, Thomas C.; Saitta, Antonino M.

2009-05-01

It is widely accepted that ice, no matter what phase, is unable to incorporate large amounts of salt into its structure. This conclusion is based on the observation that on freezing of salt water, ice expels the salt almost entirely as brine. Here, we show that this behaviour is not an intrinsic physico-chemical property of ice phases. We demonstrate by neutron diffraction that substantial amounts of dissolved LiCl can be built homogeneously into the ice VII structure if it is produced by recrystallization of its glassy (amorphous) state under pressure. Such `alloyed' ice VII has significantly different structural properties compared with pure ice VII, such as an 8% larger unit cell volume, 5 times larger displacement factors, an absence of a transition to an ordered ice VIII structure and plasticity. Our study suggests that there could be a whole new class of `salty' high-pressure ice forms.

The structural and magnetic properties of Fe2-xNiGa1+x Heusler alloys

NASA Astrophysics Data System (ADS)

Zhang (张玉洁), Y. J.; Xi (郗学奎), X. K.; Meng (孟凡斌), F. B.; Wang (王文洪), W. H.; Liu (刘恩克), E. K.; Chen (陈京兰), J. L.; Wu (吴光恒), G. H.

2015-04-01

The structural and magnetic properties of Fe2-xNiGa1+x (x=0~1) Heusler alloys have been investigated by experimental observation and calculation. In this system, a structural transition is found as a function of composition. A higher Ga content leads to an atomic-order transformation from Hg2CuTi to B2. The magnetization decreases due to the dilution effect and the competition between the magnetic interactions and enhanced covalent bonding. The calculation of electronic structure indicates that adding Ga enhances the p-d orbital hybridization between the transition-metal and main-group-element atoms at nearest-neighbor distance. A magnetic and a structural phase diagram have been obtained in which the composition dependences of the lattice constant, the ordering temperature and the Curie temperature show cusps at a critical composition of x=0.32.

Structural properties and defects of GaN crystals grown at ultra-high pressures: A molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Gao, Tinghong; Li, Yidan; Xie, Quan; Tian, Zean; Chen, Qian; Liang, Yongchao; Ren, Lei; Hu, Xuechen

2018-01-01

The growth of GaN crystals at different pressures was studied by molecular dynamics simulation employing the Stillinger-Weber potential, and their structural properties and defects were characterized using the radial distribution function, the Voronoi polyhedron index method, and a suitable visualization technology. Crystal structures formed at 0, 1, 5, 10, and 20 GPa featured an overwhelming number of <4 0 0 0> Voronoi polyhedra, whereas amorphous structures comprising numerous disordered polyhedra were produced at 50 GPa. During quenching, coherent twin boundaries were easily formed between zinc-blende and wurtzite crystal structures in GaN. Notably, point defects usually appeared at low pressure, whereas dislocations were observed at high pressure, since the simultaneous growth of two crystal grains with different crystal orientations and their boundary expansion was hindered in the latter case, resulting in the formation of a dislocation between these grains.

Network Structure and the Risk for HIV Transmission Among Rural Drug Users

PubMed Central

Young, A. M.; Jonas, A. B.; Mullins, U. L.; Halgin, D. S.

2012-01-01

Research suggests that structural properties of drug users’ social networks can have substantial effects on HIV risk. The purpose of this study was to investigate if the structural properties of Appalachian drug users’ risk networks could lend insight into the potential for HIV transmission in this population. Data from 503 drug users recruited through respondent-driven sampling were used to construct a sociometric risk network. Network ties represented relationships in which partners had engaged in unprotected sex and/or shared injection equipment. Compared to 1,000 randomly generated networks, the observed network was found to have a larger main component and exhibit more cohesiveness and centralization than would be expected at random. Thus, the risk network structure in this sample has many structural characteristics shown to be facilitative of HIV transmission. This underscores the importance of primary prevention in this population and prompts further investigation into the epidemiology of HIV in the region. PMID:23184464

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petkov, Valeri; Hessel, Colin M.; Ovtchinnikoff, Justine

High-energy synchrotron X-ray diffraction coupled to atomic pair distribution function analysis and computer simulations is used to determine the atomic-scale structure of silicon (Si) nanoparticles obtained by two different synthetic routes. Results show that Si nanoparticles may have significant structural differences depending on the synthesis route and surface chemistry. In this case, one method produced Si nanoparticles that are highly crystalline but surface oxidized, whereas a different method yields organic ligand-passivated nanoparticles without surface oxide but that are structurally distorted at the atomic scale. Particular structural features of the oxide-free Si nanoparticles such as average first coordination numbers, length ofmore » structural coherence, and degree of local distortions are compared to their optical properties such as photoluminescence emission energy, quantum yield, and Raman spectra. A clear structure–properties correlation is observed indicating that the former may need to be taken into account when considering the latter.« less

The preparation and structure of salty ice VII under pressure.

PubMed

Klotz, Stefan; Bove, Livia E; Strässle, Thierry; Hansen, Thomas C; Saitta, Antonino M

2009-05-01

It is widely accepted that ice, no matter what phase, is unable to incorporate large amounts of salt into its structure. This conclusion is based on the observation that on freezing of salt water, ice expels the salt almost entirely as brine. Here, we show that this behaviour is not an intrinsic physico-chemical property of ice phases. We demonstrate by neutron diffraction that substantial amounts of dissolved LiCl can be built homogeneously into the ice VII structure if it is produced by recrystallization of its glassy (amorphous) state under pressure. Such 'alloyed' ice VII has significantly different structural properties compared with pure ice VII, such as an 8% larger unit cell volume, 5 times larger displacement factors, an absence of a transition to an ordered ice VIII structure and plasticity. Our study suggests that there could be a whole new class of 'salty' high-pressure ice forms.

Engineering the electronic structure of graphene superlattices via Fermi velocity modulation

NASA Astrophysics Data System (ADS)

Lima, Jonas R. F.

2017-01-01

Graphene superlattices have attracted much research interest in the last years, since it is possible to manipulate the electronic properties of graphene in these structures. It has been verified that extra Dirac points appear in the electronic structure of the system. The electronic structure in the vicinity of these points has been studied for a gapless and gapped graphene superlattice and for a graphene superlattice with a spatially modulated energy gap. In each case a different behavior was obtained. In this work we show that via Fermi velocity engineering it is possible to tune the electronic properties of a graphene superlattice to match all the previous cases studied. We also obtained new features of the system never observed before, reveling that the electronic structure of graphene is very sensitive to the modulation of the Fermi velocity. The results obtained here are relevant for the development of novel graphene-based electronic devices.

Magnetic and electrical properties of Nd7Pt3 studied on single crystals

NASA Astrophysics Data System (ADS)

Tsutaoka, Takanori; Ueda, Koyo; Matsushita, Takuya

2018-07-01

Magnetic and electrical properties of Nd7Pt3 with the Th7Fe3 type hexagonal structure have been studied on single crystals by measuring magnetization, magnetic susceptibility and electrical resistivity. Nd7Pt3 possesses a ferromagnetic state below TC = 38 K; a canted antiferromagnetic state takes place at Tt2 = 34 K. Another magnetic phase transition has also been observed at Tt1 = 25 K. The magnetization curve along the a- and b-axes at 2 K shows anomalous first-order irreversible behavior. The direction of the magnetic moment in the canted state can be tilted from the c-plane. Electrical resistivity measurement results show metallic property; three anomalies were observed at Tt1, Tt2 and TC, respectively.

A comparative study of the effect of Ni9+ and Au8+ ion beams on the properties of poly(methacrylic acid) grafted gum ghatti films

NASA Astrophysics Data System (ADS)

Sharma, Kashma; Kaith, B. S.; Kumar, Vijay; Kumar, Vinod; Kalia, Susheel; Kapur, B. K.; Swart, H. C.

2014-04-01

A systematic comparative study was carried out for the induced changes in the chemical, structural, morphological and thermal properties of poly(methacrylic acid) grafted gum ghatti i.e. [Gg-cl-poly(MAA)] material by irradiation of 120 MeV Ni9+ and Au8+ ions at various fluences ranging from 3×1011 to 3×1012 ions/cm2. The degradation of the material was observed after ion irradiation. A significant loss of crystallinity and change in the crystallite size was observed in irradiated samples of Gg-cl-poly(MAA). The changes in chemical properties and surface morphology were observed by Fourier transform infrared spectroscopy and scanning electron microscopy respectively. The magnitude of the effect of the irradiation was observed to be greater in the case of Au8+ ions irradiation than those of Ni9+ ions irradiation due to the high electronic energy loss of the Au8+ ions in the grafted samples.

Tuning conductivity in boron nanowire by edge geometry

NASA Astrophysics Data System (ADS)

Bhuyan, Prabal Dev; Gupta, Sanjeev K.; Sonvane, Yogesh; Gajjar, P. N.

2018-04-01

In present study, we have investigated electronic and temperature dependent transport properties of carbyne like linear chain and ribbon like zigzag structures of Boron (B) nanowire. The linear chain structure showed higher electric and thermal conductivity, as it is sp-hybridized, than its counterpart ribbon (R) structure. However the conductivity of ribbon structure increases with increases in width due to edge geometry effect. The ribbon (3R) structure showed high electric and thermal conductivity of 8.0×1019 1/Ω m s and 0.59×1015 W/ m K respectively. Interestingly we have observed that B linear chain showed higher thermal conductivity of 0.23×1015 W/ m K than its ribbon R and 2R structure above 600K. Because of high Seebeck co-efficient of boron chain and ribbon (R) structures at low temperature, they could find applications in thermoelectric sensors. Our results show that tuning conductivity property of boron nanowire could be of great interest in research for future electric connector in nanodevices.

Cellular Magnesium Matrix Foam Composites for Mechanical Damping Applications

NASA Astrophysics Data System (ADS)

Shunmugasamy, Vasanth Chakravarthy; Mansoor, Bilal; Gupta, Nikhil

2016-01-01

The damping characteristics of metal alloys and metal matrix composites are relevant to the automotive, aerospace, and marine structures. Use of lightweight materials can help in increasing payload capacity and in decreasing fuel consumption. Lightweight composite materials possessing high damping capabilities that can be designed as structural members can greatly benefit in addressing these needs. In this context, the damping properties of lightweight metals such as aluminum and magnesium and their respective composites have been studied in the existing literature. This review focuses on analyzing the damping properties of aluminum and magnesium alloys and their cellular composites. The damping properties of various lightweight alloys and composites are compared on the basis of their density to understand the potential for weight saving in structural applications. Magnesium alloys are observed to possess better damping properties in comparison to aluminum. However, aluminum matrix syntactic foams reinforced with silicon carbide hollow particles possess a damping capacity and density comparable to magnesium alloy. By using the data presented in the study, composites with specific compositions and properties can be selected for a given application. In addition, the comparison of the results helps in identifying the areas where attention needs to be focused to address the future needs.

Ab Initio Study of Electronic Excitation Effects on SrTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Shijun; Zhang, Yanwen; Weber, William J.

Interaction of energetic ions or lasers with solids often induces electronic excitations that may modify material properties significantly. In this study, effects of electronic excitations on strontium titanate SrTiO 3 (STO) are investigated based on first-principles calculations. The lattice structure, electronic properties, lattice vibrational frequencies, and dynamical stabilities are studied in detail. The results suggest that electronic excitation induces charge redistribution that is mainly observed in Ti–O bonds. The electronic band gap increases with increasing electronic excitation, as excitation mainly induces depopulation of Ti 3d states. Phonon analysis indicates that there is a large phonon band gap induced by electronicmore » excitation because of the changes in the vibrational properties of Ti and O atoms. In addition, a new peak appears in the phonon density of states with imaginary frequencies, an indication of lattice instability. Further dynamics simulations confirm that STO undergoes transition to an amorphous structure under strong electronic excitations. In conclusion, the optical properties of STO under electronic excitation are consistent with the evolution of atomic and electronic structures, which suggests a possibility to probe the properties of STO in nonequilibrium state using optical measurement.« less

Ab Initio Study of Electronic Excitation Effects on SrTiO 3

DOE PAGES

Zhao, Shijun; Zhang, Yanwen; Weber, William J.

2017-11-14

Interaction of energetic ions or lasers with solids often induces electronic excitations that may modify material properties significantly. In this study, effects of electronic excitations on strontium titanate SrTiO 3 (STO) are investigated based on first-principles calculations. The lattice structure, electronic properties, lattice vibrational frequencies, and dynamical stabilities are studied in detail. The results suggest that electronic excitation induces charge redistribution that is mainly observed in Ti–O bonds. The electronic band gap increases with increasing electronic excitation, as excitation mainly induces depopulation of Ti 3d states. Phonon analysis indicates that there is a large phonon band gap induced by electronicmore » excitation because of the changes in the vibrational properties of Ti and O atoms. In addition, a new peak appears in the phonon density of states with imaginary frequencies, an indication of lattice instability. Further dynamics simulations confirm that STO undergoes transition to an amorphous structure under strong electronic excitations. In conclusion, the optical properties of STO under electronic excitation are consistent with the evolution of atomic and electronic structures, which suggests a possibility to probe the properties of STO in nonequilibrium state using optical measurement.« less

High-stress study of bioinspired multifunctional PEDOT:PSS/nanoclay nanocomposites using AFM, SEM and numerical simulation.

PubMed

Diaz, Alfredo J; Noh, Hanaul; Meier, Tobias; Solares, Santiago D

2017-01-01

Bioinspired design has been central in the development of hierarchical nanocomposites. Particularly, the nacre-mimetic brick-and-mortar structure has shown excellent mechanical properties, as well as gas-barrier properties and optical transparency. Along with these intrinsic properties, the layered structure has also been utilized in sensing devices. Here we extend the multifunctionality of nacre-mimetics by designing an optically transparent and electron conductive coating based on PEDOT:PSS and nanoclays Laponite RD and Cloisite Na + . We carry out extensive characterization of the nanocomposite using transmittance spectra (transparency), conductive atomic force microscopy (conductivity), contact-resonance force microscopy (mechanical properties), and SEM combined with a variety of stress-strain AFM experiments and AFM numerical simulations (internal structure). We further study the nanoclay's response to the application of pressure with multifrequency AFM and conductive AFM, whereby increases and decreases in conductivity can occur for the Laponite RD composites. We offer a possible mechanism to explain the changes in conductivity by modeling the coating as a 1-dimensional multibarrier potential for electron transport, and show that conductivity can change when the separation between the barriers changes under the application of pressure, and that the direction of the change depends on the energy of the electrons. We did not observe changes in conductivity under the application of pressure with AFM for the Cloisite Na + nanocomposite, which has a large platelet size compared with the AFM probe diameter. No pressure-induced changes in conductivity were observed in the clay-free polymer either.

Characterization of cellulose structure of Populus plants modified in candidate cellulose biosynthesis genes

DOE PAGES

Bali, Garima; Khunsupat, Ratayakorn; Akinosho, Hannah; ...

2016-09-10

Here, the recalcitrant nature of lignocellulosic biomass is a combined effect of several factors such as high crystallinity and high degree of polymerization of cellulose, lignin content and structure, and the available surface area for enzymatic degradation (i.e., accessibility). Genetic improvement of feedstock cell wall properties is a path to reducing recalcitrance of lignocellulosic biomass and improving conversion to various biofuels. An advanced understanding of the cellulose biosynthesis pathway is essential to precisely modify cellulose properties of plant cell walls. Here we report on the impact of modified expression of candidate cellulose biosynthesis pathway genes on the ultra-structure of cellulose,more » a key carbohydrate polymer of Populus cell wall using advanced nuclear magnetic resonance approaches. Noteworthy changes were observed in the cell wall characteristics of downregulated KORRIGAN 1 (KOR) and KOR 2 transgenic plants in comparison to the wild-type control. It was observed that all of the transgenic lines showed variation in cellulose ultrastructure, increase in cellulose crystallinity and decrease in the cellulose degree of polymerization. Additionally, the properties of cellulose allomorph abundance and accessibility were found to be variable. Application of such cellulose characterization techniques beyond the traditional measurement of cellulose abundance to comprehensive studies of cellulose properties in larger transgenic and naturally variable populations is expected to provide deeper insights into the complex nature of lignocellulosic material, which can significantly contribute to the development of precisely tailored plants for enhanced biofuels production.« less

Characterization of cellulose structure of Populus plants modified in candidate cellulose biosynthesis genes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bali, Garima; Khunsupat, Ratayakorn; Akinosho, Hannah

Here, the recalcitrant nature of lignocellulosic biomass is a combined effect of several factors such as high crystallinity and high degree of polymerization of cellulose, lignin content and structure, and the available surface area for enzymatic degradation (i.e., accessibility). Genetic improvement of feedstock cell wall properties is a path to reducing recalcitrance of lignocellulosic biomass and improving conversion to various biofuels. An advanced understanding of the cellulose biosynthesis pathway is essential to precisely modify cellulose properties of plant cell walls. Here we report on the impact of modified expression of candidate cellulose biosynthesis pathway genes on the ultra-structure of cellulose,more » a key carbohydrate polymer of Populus cell wall using advanced nuclear magnetic resonance approaches. Noteworthy changes were observed in the cell wall characteristics of downregulated KORRIGAN 1 (KOR) and KOR 2 transgenic plants in comparison to the wild-type control. It was observed that all of the transgenic lines showed variation in cellulose ultrastructure, increase in cellulose crystallinity and decrease in the cellulose degree of polymerization. Additionally, the properties of cellulose allomorph abundance and accessibility were found to be variable. Application of such cellulose characterization techniques beyond the traditional measurement of cellulose abundance to comprehensive studies of cellulose properties in larger transgenic and naturally variable populations is expected to provide deeper insights into the complex nature of lignocellulosic material, which can significantly contribute to the development of precisely tailored plants for enhanced biofuels production.« less

Influence of molecular electronic properties on the IR spectra of dimeric hydrogen bond systems: polarized spectra of 2-hydroxybenzothiazole and 2-mercaptobenzothiazole crystals

NASA Astrophysics Data System (ADS)

Flakus, Henryk T.; Miros, Artur; Jones, Peter G.

2002-01-01

We have studied the polarized IR spectra of the hydrogen-bonded molecular crystals of 2-hydroxybenzothiazole (HBT) and 2-mercaptobenzothiazole (MBT). The crystal structure of 2-hydroxybenzothiazole was determined by X-ray diffraction. The polarized spectra of the crystals were measured, in the frequency ranges of the νN-H and νN-D bands, at room temperature, and at 77 K. In both systems an extremely strong H/D isotopic effect in the spectra was observed, involving reduction of the well-developed νN-H band fine structure to a single prominent νN-D line only. The two νN-H bands were also shown to exhibit almost identical properties, band shapes, temperature and dichroic properties included. The spectra were quantitatively reconstituted, along with the strong isotopic effect, when calculated using the 'strong-coupling' theory, assuming the centrosymmetric dimers of HBT or MBT to be the structural units responsible for the crystalline spectral properties. The similarity of the spectra of the two crystalline systems was considered to be a result of longer-distance couplings between the proton vibrations in the dimers, via the aromatic ring electrons. When investigating the 'residual' νN-H band shapes for crystals isotopically diluted by deuterium, we observed some 'self-organization' effects in the spectra, indicating the energetically favored presence of two identical hydrogen isotopes in each hydrogen bond dimer.

Strain tunable magnetic properties of 3d transition-metal ion doped monolayer MoS2: A first-principles study

NASA Astrophysics Data System (ADS)

Zhu, Yupeng; Liang, Xiao; Qin, Jun; Deng, Longjiang; Bi, Lei

2018-05-01

In this article, a systematic study on the magnetic properties and strain tunability of 3d transition metal ions (Mn, Fe, Co, Ni) doped MoS2 using first-principles calculations is performed. Antiferromagnetic coupling is observed between Mn, Fe ions and the nearest neighbor Mo ions; whereas ferromagnetic coupling is observed in Co and Ni systems. It is also shown that by applying biaxial tensile strain, a significant change of the magnetic moment is observed in all transition metal doped MoS2 materials with a strain threshold. The changes of total magnetic moment have different mechanisms for different doping systems including an abrupt change of the bond lengths, charge transfer and strain induced structural anisotropy. These results demonstrate applying strain as a promising method for tuning the magnetic properties in transition metal ion doped monolayer MoS2.

Nanosize effect: Enhanced compensation temperature and existence of magnetodielectric coupling in SmFe O3

NASA Astrophysics Data System (ADS)

Chaturvedi, Smita; Shyam, Priyank; Bag, Rabindranath; Shirolkar, Mandar M.; Kumar, Jitender; Kaur, Harleen; Singh, Surjeet; Awasthi, A. M.; Kulkarni, Sulabha

2017-07-01

In transition metal oxides, quantum confinement arising from a large surface to volume ratio often gives rise to novel physicochemical properties at nanoscale. Their size-dependent properties have potential applications in diverse areas, including therapeutics, imaging, electronic devices, communication systems, sensors, and catalysis. We have analyzed the structural, magnetic, dielectric, and thermal properties of weakly ferromagnetic SmFe O3 nanoparticles of sizes of about 55 and 500 nm. The nanometer-size particles exhibit several distinct features that are neither observed in their larger-size variants nor reported previously for the single crystals. In particular, for the 55-nm particle, we observe a sixfold enhancement of compensation temperature, an unusual rise in susceptibility in the temperature range 550 to 630 K due to spin pinning, and a coupled antiferromagnetic-ferroelectric transition, directly observed in the dielectric constant.

Variability of cirrus clouds in a convective outflow during the Hibiscus campaign

NASA Astrophysics Data System (ADS)

Fierli, F.; di Donfrancesco, G.; Cairo, F.; Marécal, V.; Zampieri, M.; Orlandi, E.; Durry, G.

2008-08-01

Light-weight microlidar and water vapour measurements were taken on-board a stratospheric balloon during the HIBISCUS 2004 campaign, held in Bauru, Brazil (49° W, 22° S). Cirrus clouds were observed throughout the flight between 12 and 15 km height with a high mesoscale variability in optical and microphysical properties. It was found that the cirrus clouds were composed of different layers characterized by marked differences in height, thickness and optical properties. Simultaneous water vapour observations show that the different layers are characterized by different values of the saturation with respect to ice. A mesoscale simulation and a trajectory analysis clearly revealed that the clouds had formed in the outflow of a large and persistent convective region and that the observed variability of the optical properties and of the cloud structure is likely linked to the different residence times of the convectively-processed air in the upper troposphere.

Working Group on Ice Forces on Structures. A State-of-the-Art Report.

DTIC Science & Technology

1980-06-01

observed in Soviet Design Codes, but the randomness of ice properties is not directly observed anywhere. 3.3 Contact system The mode of ice failure against...ups .............. o..........................90 2.133 Factors limiting ice ride-up ..................... o............91 2.134 Procedures for designing ...o................................110 3.3 Contact system .................................................. 115 3.4 Damping

Graph distance for complex networks

NASA Astrophysics Data System (ADS)

Shimada, Yutaka; Hirata, Yoshito; Ikeguchi, Tohru; Aihara, Kazuyuki

2016-10-01

Networks are widely used as a tool for describing diverse real complex systems and have been successfully applied to many fields. The distance between networks is one of the most fundamental concepts for properly classifying real networks, detecting temporal changes in network structures, and effectively predicting their temporal evolution. However, this distance has rarely been discussed in the theory of complex networks. Here, we propose a graph distance between networks based on a Laplacian matrix that reflects the structural and dynamical properties of networked dynamical systems. Our results indicate that the Laplacian-based graph distance effectively quantifies the structural difference between complex networks. We further show that our approach successfully elucidates the temporal properties underlying temporal networks observed in the context of face-to-face human interactions.

Effect of Si, Mg, and Mg Zn doping on structural properties of a GaN layer grown by metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Cho, H. K.; Lee, J. Y.; Kim, K. S.; Yang, G. M.

2001-12-01

We have studied the structural properties of undoped, Si-doped, Mg-doped, and Mg-Zn codoped GaN using high-resolution X-ray diffraction (HRXRD) and transmission electron microscopy. When compared with undoped GaN, the dislocation density at the surface of the GaN layer decreases with Si doping and increases with Mg doping. In addition, we observed a reduction of dislocation density by codoping with Zn atoms in the Mg-doped GaN layer. The full width at half maximum of HRXRD shows that Si doping and Mg-Zn codoping improve the structural quality of the GaN layer as compared with undoped and Mg-doped GaN, respectively.

Interdot spacing dependence of electronic structure and properties of multistacked InGaAs quantum dots fabricated without strain compensation technique

NASA Astrophysics Data System (ADS)

Goshima, Keishiro; Tsuda, Norio; Inukai, Keisuke; Amano, Takeru; Sugaya, Takeyoshi

2018-06-01

We report on the electronic properties and band structure of multistacked quantum dots (QDs) fabricated without a strain compensation technique. It is possible to realize a small interdot spacing and introduce a strong quantum mechanical coupling. From the using temperature dependence, polarized photoluminescent spectra, and photoluminescent excitation experiments, we observe a markedly different behavior depending on the interdot spacing. These results evidence that minibands of electrons and holes are formed with interdot spacings of 7 and 3.5 nm, respectively. In addition, thise results are in good agreement with numerical calculations. We describe in detail the miniband formation and electronic structure of multistacked QDs with various interdot spacings of 10 nm or less.

The Observed Properties of Liquid Helium at the Saturated Vapor Pressure

NASA Astrophysics Data System (ADS)

Donnelly, Russell J.; Barenghi, Carlo F.

1998-11-01

The equilibrium and transport properties of liquid 4He are deduced from experimental observations at the saturated vapor pressure. In each case, the bibliography lists all known measurements. Quantities reported here include density, thermal expansion coefficient, dielectric constant, superfluid and normal fluid densities, first, second, third, and fourth sound velocities, specific heat, enthalpy, entropy, surface tension, ion mobilities, mutual friction, viscosity and kinematic viscosity, dispersion curve, structure factor, thermal conductivity, latent heat, saturated vapor pressure, thermal diffusivity and Prandtl number of helium I, and displacement length and vortex core parameter in helium II.

The structural properties of InGaN alloys and the interdependence on the thermoelectric behavior

NASA Astrophysics Data System (ADS)

Kucukgok, Bahadir; Wu, Xuewang; Wang, Xiaojia; Liu, Zhiqiang; Ferguson, Ian T.; Lu, Na

2016-02-01

The III-Nitrides are promising candidate for high efficiency thermoelectric (TE) materials and devices due to their unique features which includes high thermal stability. A systematic study of the room temperature TE properties of metalorganic chemical vapor deposition grown InxGa1-xN were investigated for x = 0.07 to 0.24. This paper investigated the role of indium composition on the TE properties of InGaN alloys in particular the structural properties for homogenous material that did not show significant phase separation. The highest Seebeck and power factor values of 507 μV K-1 and 21.84 × 10-4 Wm-1K-1 were observed, respectively for In0.07Ga0.93N at room temperature. The highest value of figure-of-merit (ZT) was calculated to be 0.072 for In0.20Ga0.80N alloy at room temperature.

Effects of Electron Beam Irradiation and Thiol Molecule Treatment on the Properties of MoS2 Field Effect Transistors

NASA Astrophysics Data System (ADS)

Choi, Barbara Yuri; Cho, Kyungjune; Pak, Jinsu; Kim, Tae-Young; Kim, Jae-Keun; Shin, Jiwon; Seo, Junseok; Chung, Seungjun; Lee, Takhee

2018-05-01

We investigated the effects of the structural defects intentionally created by electron-beam irradiation with an energy of 30 keV on the electrical properties of monolayer MoS2 field effect transistors (FETs). We observed that the created defects by electron beam irradiation on the MoS2 surface working as trap sites deteriorated the carrier mobility and carrier concentration with increasing the subthreshold swing value and shifting the threshold voltage in MoS2 FETs. The electrical properties of electron-beam irradiated MoS2 FETs were slightly improved by treating the devices with thiol-terminated molecules which presumably passivated the structural defects of MoS2. The results of this study may enhance the understanding of the electrical properties of MoS2 FETs in terms of creating and passivating defect sites.

Graded Interface Models for more accurate Determination of van der Waals-London Dispersion Interactions across Grain Boundaries

DOE Office of Scientific and Technical Information (OSTI.GOV)

van Benthem, Klaus; Tan, Guolong; French, Roger H

2006-01-01

Attractive van der Waals V London dispersion interactions between two half crystals arise from local physical property gradients within the interface layer separating the crystals. Hamaker coefficients and London dispersion energies were quantitatively determined for 5 and near- 13 grain boundaries in SrTiO3 by analysis of spatially resolved valence electron energy-loss spectroscopy (VEELS) data. From the experimental data, local complex dielectric functions were determined, from which optical properties can be locally analysed. Both local electronic structures and optical properties revealed gradients within the grain boundary cores of both investigated interfaces. The obtained results show that even in the presence ofmore » atomically structured grain boundary cores with widths of less than 1 nm, optical properties have to be represented with gradual changes across the grain boundary structures to quantitatively reproduce accurate van der Waals V London dispersion interactions. London dispersion energies of the order of 10% of the apparent interface energies of SrTiO3 were observed, demonstrating their significance in the grain boundary formation process. The application of different models to represent optical property gradients shows that long-range van der Waals V London dispersion interactions scale significantly with local, i.e atomic length scale property variations.« less

Lifecycle of a large-scale polar coronal pseudostreamer/cavity system

NASA Astrophysics Data System (ADS)

Guennou, Chloé; Auchere, Frederic; Seaton, Daniel; Rachmeler, Laurel

2016-07-01

Coronal cavities, tunnel-like areas of rarefied density, provide important information about the magnetic structures that support prominences. The magnetic energy is stored through the twisted or shared magnetic field, ultimately released through Coronal Mass Ejections (CME). To be able to forecast these energetic releases of material and prevent potential terrestrial consequences, the understanding of the cavity 3D morphology, magnetic and thermal properties are essential. The prominences embedded in the cavity only trace a small part of the magnetic field, whereas the much larger cavity provides more information about the magnetic field morphology. As a result, a clear understanding of the coronal volume of the cavity significantly advances our understanding of both the pre-eruption equilibrium and the triggers of such eruptions. Determining both morphological and thermodynamical coronal structures is difficult due to the optically thin nature of the plasma. Observations are subject to integration along the line-of-sight (LOS). This effect can strongly complicate both the derivation and the interpretation of important physical quantities. One way to deduce the 3D structure is with Solar Rotational Tomography (SRT). The 3D plasma emissivity is estimated from EUV/white light images taken from different viewpoints. Physical properties can be then derived using Differential Emission Measure analysis from multi-wavelength 3D reconstructions. We applied this technique to an exceptional large-scale coronal pseudostreamer/cavity system in the southern polar region of the solar corona that was visible for approximately a year starting in February 2014. It is unusual to see such a large closed-field structure embedded within the open polar coronal hole. We investigate this structure to document its formation, evolution and eventually its shrinking process using data from both the PROBA2/SWAP and SDO/AIA EUV imagers. We found that the cavity temperature is extremely stable with time and is essentially at a similar or slightly hotter temperature than the surrounding pseudostreamer. Two regimes in cavity thermal properties were observed: during the first 5 months of observation, we found lower density depletion and highly multi-thermal plasma, while after the pseudostreamer became stable and slowly shrank, the depletion was more pronounced and the plasma was less multithermal. As the thermodynamic properties are strongly correlated with the magnetic structure, these results provide constraints on both the trigger of CMEs and the processes that maintain cavities stability for such a long lifetime.

Magnetic and photocatalytic studies on Zn1-xMgxFe2O4 nanocolloids synthesized by solvothermal reflux method.

PubMed

Manohar, A; Krishnamoorthi, C

2017-12-01

Biocompatible magnetic semiconductor Zn 1-x Mg x Fe 2 O 4 (x=0, 0.1, 0.3, 0.5 & 0.7) nanoparticles of around 10nm diameter were synthesized by solvothermal reflux method. The method produces well separated and narrow size distributed nanoparticles. Crystal structure, morphology, particles surface properties, surfactant quantity, colloidal stability, magnetic properties and photocatalytic properties of the synthesized nanoparticles were studied. Different characterizations confirmed that all compounds were single crystals and superparamagnetic at room temperature. Saturation mass magnetization (M s =57.5emu/g) enhances with substituent Mg 2+ concentration due to promotion of mixed spinel (normal and inverse) structure. Photocatalytic activity of all synthesized magnetic semiconductor nanoparticles were studied through methylene blue degradation. The degradation of 98% methylene blue was observed on 60 min irradiation of light. It is observed that photocatalytic activity slightly enhances with substituent Mg 2+ concentration. The synthesized biocompatible magnetic semiconductor nanoparticles can be utilized as photocatalysts and could also be recycled and separated by applying an external magnetic field. Copyright © 2017 Elsevier B.V. All rights reserved.

Assessment of corneal properties based on statistical modeling of OCT speckle

PubMed Central

Jesus, Danilo A.; Iskander, D. Robert

2016-01-01

A new approach to assess the properties of the corneal micro-structure in vivo based on the statistical modeling of speckle obtained from Optical Coherence Tomography (OCT) is presented. A number of statistical models were proposed to fit the corneal speckle data obtained from OCT raw image. Short-term changes in corneal properties were studied by inducing corneal swelling whereas age-related changes were observed analyzing data of sixty-five subjects aged between twenty-four and seventy-three years. Generalized Gamma distribution has shown to be the best model, in terms of the Akaike’s Information Criterion, to fit the OCT corneal speckle. Its parameters have shown statistically significant differences (Kruskal-Wallis, p < 0.001) for short and age-related corneal changes. In addition, it was observed that age-related changes influence the corneal biomechanical behaviour when corneal swelling is induced. This study shows that Generalized Gamma distribution can be utilized to modeling corneal speckle in OCT in vivo providing complementary quantified information where micro-structure of corneal tissue is of essence. PMID:28101409

Oscillations contribute to memory consolidation by changing criticality and stability in the brain

NASA Astrophysics Data System (ADS)

Wu, Jiaxing; Skilling, Quinton; Ognjanovski, Nicolette; Aton, Sara; Zochowski, Michal

Oscillations are a universal feature of every level of brain dynamics and have been shown to contribute to many brain functions. To investigate the fundamental mechanism underpinning oscillatory activity, the properties of heterogeneous networks are compared in situations with and without oscillations. Our results show that both network criticality and stability are changed in the presence of oscillations. Criticality describes the network state of neuronal avalanche, a cascade of bursts of action potential firing in neural network. Stability measures how stable the spike timing relationship between neuron pairs is over time. Using a detailed spiking model, we found that the branching parameter σ changes relative to oscillation and structural network properties, corresponding to transmission among different critical states. Also, analysis of functional network structures shows that the oscillation helps to stabilize neuronal representation of memory. Further, quantitatively similar results are observed in biological data recorded in vivo. In summary, we have observed that, by regulating the neuronal firing pattern, oscillations affect both criticality and stability properties of the network, and thus contribute to memory formation.

Optical diffraction properties of multimicrogratings

DOE PAGES

Rothenbach, Christian A.; Kravchenko, Ivan I.; Gupta, Mool C.

2015-02-27

This paper shows the results of optical diffraction properties of multimicrograting structures fabricated by e-beam lithography. Multimicrograting consist of arrays of hexagonally shaped cells containing periodic one-dimensional (1D) grating lines in different orientations and arrayed to form large area patterns. We analyzed the optical diffraction properties of multimicrogratings by studying the individual effects of the several periodic elements of multimicrogratings. The observed optical diffraction pattern is shown to be the combined effect of the periodic and non-periodic elements that define the multimicrogratings and the interaction between different elements. We measured the total transverse electric (TE) diffraction efficiency of multimicrogratings andmore » found it to be 32.1%, which is closely related to the diffraction efficiency of 1D periodic grating lines of the same characteristics, measured to be 33.7%. Beam profiles of the optical diffraction patterns from multimicrogratings are captured with a CCD sensor technique. Interference fringes were observed under certain conditions formed by multimicrograting beams interfering with each other. Finally, these diffraction structures may find applications in sensing, nanometrology, and optical interconnects.« less

Bioactive composites with designed interfaces

NASA Astrophysics Data System (ADS)

Orefice, Rodrigo Lambert

Bioactive glasses can bond to bone and even soft tissue. However, they are usually weak, brittle and hard to process in specific shapes. The goal of this work is to produce polymer composites having bioactive materials as a reinforcing phase that would display both bioactive behavior and mechanical properties compatible to bone. Polysulfone and bioactive glass particulate were combined in composites with different volume fractions. Composites with 40 vol.% of particulate were submitted to in vitro tests in simulated body fluids. The recorded rates of hydroxy-carbonate-apatite layer deposition were close to the ones observed for pure bioactive glasses. Mechanical properties showed values of elastic modulus, strain at failure and strength within the range of cortical bone for composites with high volume fraction of particles. Fibers can usually favor higher levels of reinforcement in composites than particles. Novel multicomponent fibers were prepared by using the sol-gel method. They were determined to be bioactive in vitro and were successfully used as a reinforcing phase in polysulfone composites. Properties of the bioactive composites were modified by altering the chemistry and structure of the interfaces. Polymers with sulfonic acid and silane groups were specially designed to interact with both the silica surface and the polymer matrix. Nano-composites with a structure and chemistry in between the macrocomponents of the composite were prepared by combining a silanated polymer and silica sol-gel. When applied as interfacial agents, these nano-composites as well as the modified polymers improved the overall properties of the bioactive system. A decay in mechanical properties was observed for composites submitted to an in vitro test. The developed interfacial agents successfully reduced the degree of degradation in properties. Interactions occurring at the interfaces of bioactive composites were studied using Atomic Force Microscopy (AFM). The effect of the structure and chemistry of interfaces was correlated to physical and chemical processes occurring at the interfaces and to the overall properties of composites.

Influence of lithium slag from lepidolite on the durability of concrete

NASA Astrophysics Data System (ADS)

Qi, Luo; Shaowen, Huang; Yuxuan, Zhou; Jinyang, Li; Weiliang, Peng; Yufeng, Wen

2017-04-01

This paper mainly studies the effect of lithium slag from lepidolite on the property of concrete including dry shrinkage, anti-carbonation, wear resistance and chloride ion resistance. Concrete interface structure has been observed with SEM. The results show that adding lithium slag to concrete can improve concrete property including dry shrinkage, wear resistance and chloride ion resistance. However, the wear resistance tends to decrease when the amount of lithium slag reach 20%. Lithium slag also has negative effect on anti-carbonation property. With the increasing amount of lithium slag, anti-carbonation property of concrete decrease gradually.

Structure-property relation in HPMC polymer films plasticized with Sorbitol

NASA Astrophysics Data System (ADS)

Prakash, Y.; Somashekarappa, H.; Mahadevaiah, Somashekar, R.

2013-06-01

A correlation study on physical and mechanical properties of Hydroxy propyl-methylcellulose (HPMC) polymer films plasticized with different weight ratio of Sorbitol, prepared using solution casting method, was carried out using wide angle X-ray technique and universal testing machine. It is found that the crystallanity decreases as the concentration of Sorbitol increases up to a certain concentration and there afterwards increases. Measured Physical Properties like tensile strength decreases and elongation (%) increases indicating increase in the flexibility of the films. These observations confirm the correlation between microstructal parameters and mechanical properties of films. These films are suitable for packaging food products.

Impacts of Spontaneous Hot Flow Anomalies on the Magnetosheath and Magnetopause

NASA Technical Reports Server (NTRS)

Omidi, N.; Berchem, J.; Sibeck, D.; Zhang, H.

2016-01-01

Spacecraft observations and global hybrid (kinetic ions and fluid electrons) simulations have demonstrated that ion dissipation processes at the quasi-parallel bow shock are associated with the formation of structures called spontaneous hot flow anomalies (SHFAs). Previous simulations and recent spacecraft observations have also established that SHFAs result in the formation of magnetosheath filamentary structures(MFS). In this paper we demonstrate that in addition to MFS, SHFAs also result in the formation of magnetos heath cavities that are associated with decreases in density, velocity, and magnetic field and enhancements in temperature. We use the results of a global MHD run to determine the change in the magnetosheath properties associated with cavities due to ion kinetic effects. The results also show the formation of regions of high flow speed called magnetosheath jets whose properties as a function of solar wind Mach number are described in this study. Comparing the properties of the simulated magnetosheath cavities and jets to past spacecraft observations provides good agreement in both cases. We also demonstrate that pressure variations associated with cavities and SHFAs in the sheath result in a continuous sunward and anti sunward magnetopause motion. This result is consistent with previous suggestions that SHFAs may be responsible for the generation of ion cyclotron waves and precipitation of ring current protons in the outer magnetosphere.

Interfacial coupling and polarization of perovskite ABO3 heterostructures

NASA Astrophysics Data System (ADS)

Wu, Lijun; Wang, Zhen; Zhang, Bangmin; Yu, Liping; Chow, G. M.; Tao, Jing; Han, Myung-Geun; Guo, Hangwen; Chen, Lina; Plummer, E. W.; Zhang, Jiandi; Zhu, Yimei

2017-02-01

Interfaces with subtle difference in atomic and electronic structures in perovskite ABO3 heterostructures often yield intriguingly different properties, yet their exact roles remain elusive. In this article, we report an integrated study of unusual transport, magnetic, and structural properties of Pr0.67Sr0.33MnO3 (PSMO) films and La0.67Sr0.33MnO3 (LSMO) films of various thicknesses on SrTiO3 (STO) substrate. In particular, using atomically resolved imaging and electron energy-loss spectroscopy (EELS), we measured interface related local lattice distortion, BO6 octahedral rotation and cation-anion displacement induced polarization. In the very thin PSMO film, an unexpected interface-induced ferromagnetic polaronic insulator phase was observed during the cubic-to-tetragonal phase transition of the substrate STO, due to the enhanced electron-phonon interaction and atomic disorder in the film. On the other hand, for the very thin LSMO films we observed a remarkably deep polarization in non-ferroelectric STO substrate near the interface. Combining the experimental results with first principles calculations, we propose that the observed deep polarization is induced by an electric field originating from oxygen vacancies that extend beyond a dozen unit-cells from the interface, thus providing important evidence of the role of defects in the emergent interface properties of transition metal oxides.

Impacts of spontaneous hot flow anomalies on the magnetosheath and magnetopause

NASA Astrophysics Data System (ADS)

Omidi, N.; Berchem, J.; Sibeck, D.; Zhang, H.

2016-04-01

Spacecraft observations and global hybrid (kinetic ions and fluid electrons) simulations have demonstrated that ion dissipation processes at the quasi-parallel bow shock are associated with the formation of structures called spontaneous hot flow anomalies (SHFAs). Previous simulations and recent spacecraft observations have also established that SHFAs result in the formation of magnetosheath filamentary structures (MFS). In this paper we demonstrate that in addition to MFS, SHFAs also result in the formation of magnetosheath cavities that are associated with decreases in density, velocity, and magnetic field and enhancements in temperature. We use the results of a global MHD run to determine the change in the magnetosheath properties associated with cavities due to ion kinetic effects. The results also show the formation of regions of high flow speed called magnetosheath jets whose properties as a function of solar wind Mach number are described in this study. Comparing the properties of the simulated magnetosheath cavities and jets to past spacecraft observations provides good agreement in both cases. We also demonstrate that pressure variations associated with cavities and SHFAs in the sheath result in a continuous sunward and antisunward magnetopause motion. This result is consistent with previous suggestions that SHFAs may be responsible for the generation of ion cyclotron waves and precipitation of ring current protons in the outer magnetosphere.

Evidence that αC region is origin of low modulus, high extensibility, and strain stiffening in fibrin fibers.

PubMed

Houser, John R; Hudson, Nathan E; Ping, Lifang; O'Brien, E Timothy; Superfine, Richard; Lord, Susan T; Falvo, Michael R

2010-11-03

Fibrin fibers form the structural scaffold of blood clots and perform the mechanical task of stemming blood flow. Several decades of investigation of fibrin fiber networks using macroscopic techniques have revealed remarkable mechanical properties. More recently, the microscopic origins of fibrin's mechanics have been probed through direct measurements on single fibrin fibers and individual fibrinogen molecules. Using a nanomanipulation system, we investigated the mechanical properties of individual fibrin fibers. The fibers were stretched with the atomic force microscope, and stress-versus-strain data was collected for fibers formed with and without ligation by the activated transglutaminase factor XIII (FXIIIa). We observed that ligation with FXIIIa nearly doubled the stiffness of the fibers. The stress-versus-strain behavior indicates that fibrin fibers exhibit properties similar to other elastomeric biopolymers. We propose a mechanical model that fits our observed force extension data, is consistent with the results of the ligation data, and suggests that the large observed extensibility in fibrin fibers is mediated by the natively unfolded regions of the molecule. Although some models attribute fibrin's force-versus-extension behavior to unfolding of structured regions within the monomer, our analysis argues that these models are inconsistent with the measured extensibility and elastic modulus. Copyright © 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Thermodynamic and Structural Properties of Methanol-Water Solutions Using Non-Additive Interaction Models

PubMed Central

Zhong, Yang; Warren, G. Lee; Patel, Sandeep

2014-01-01

We study bulk structural and thermodynamic properties of methanol-water solutions via molecular dynamics simulations using novel interaction potentials based on the charge equilibration (fluctuating charge) formalism to explicitly account for molecular polarization at the atomic level. The study uses the TIP4P-FQ potential for water-water interactions, and the CHARMM-based (Chemistry at HARvard Molecular Mechanics) fluctuating charge potential for methanol-methanol and methanol-water interactions. In terms of bulk solution properties, we discuss liquid densities, enthalpies of mixing, dielectric constants, self-diffusion constants, as well as structural properties related to local hydrogen bonding structure as manifested in radial distribution functions and cluster analysis. We further explore the electronic response of water and methanol in the differing local environments established by the interaction of each species predominantly with molecules of the other species. The current force field for the alcohol-water interaction performs reasonably well for most properties, with the greatest deviation from experiment observed for the excess mixing enthalpies, which are predicted to be too favorable. This is qualitatively consistent with the overestimation of the methanol-water gas-phase interaction energy for the lowest-energy conformer (methanol as proton donor). Hydration free energies for methanol in TIP4P-FQ water are predicted to be −5.6±0.2 kcal/mole, in respectable agreement with the experimental value of −5.1 kcal/mole. With respect to solution micro-structure, the present cluster analysis suggests that the micro-scale environment for concentrations where select thermodynamic quantities reach extremal values is described by a bi-percolating network structure. PMID:18074339

Study on magnetic properties of magnetic minerals in the quartzofeldspathic schist by using magnetic force microscope

NASA Astrophysics Data System (ADS)

Ni, C. H.; Chen, Y. H.

2016-12-01

The pseudotachylyte generated from the fault sliding during an earthquake plays an important role in the geology. In general, the pseudotachylyte vein has a magnetic susceptibility which is higher than wall rocks attributed by the fine-grained magnetic minerals. In this study, the fault pseudotachylyte formed by frictional melting in quartzofeldspathic schist rocks from Alpine Fault, New Zealand, was investigated. The scanning electron microscopy (SEM) was used to obtain the morphology of magnetic minerals and magnetic force microscopy (MFM) was utilized to observe magnetic domain structures. We want to realize how the growth process of magnetic minerals affects magnetic structures and magnetic properties. It was observed exsoluted-titanomagnetite was especially around outer edge of pseudotachylyte. These titanomagnetite had a single domain (SD) and distributed paralleling to the direction of exsolution. In contrast, the magnetic minerals (magnetite) in the pseudotachylyte vein had two different magnetic structures: one is the detrital magnetite showed multiple domains (MD) without regular arrangement, which may be indicated the thermal remanent magnetization (TRM). One the other is neoformed fine-grained magnetite scattering in the matrix and showed SD to pseudo-single-domain (PSD) and their magnetic direction was perpendicular to the direction of pseudotachylyte veins, suggesting the chemical remanent magnetization (CRM). However, the macroscopic magnetic property, based on Day's plot, measured from superconducting quantum interference device (SQUID) was shown the sample belonged to MD structures. These results indicated that MFM is a more powerful and precise tool to figure out the magnetic structure. The related studies will be further investigated.

Influence of vibration on structure rheological properties of a highly concentrated suspension

NASA Astrophysics Data System (ADS)

Ouriev Uriev, Boris N.; Uriev, Naum B.

2005-08-01

The influence of mechanical vibration on the flow properties of a highly concentrated multiphase food system is explored in this work. An experimental set-up was designed and adapted to a conventional rotational rheometer with precise rheological characterization capability. A number of calibration tests were performed prior to fundamental experiments with a highly concentrated chocolate suspension. Also, the prediction of wall slippage in shear flow under vibration was evaluated. Analysis of the boundary conditions shows that no side effects such as wall slippage or the Taylor effect were present during the shear experiment under vibration. It was found that superposition of mechanical vibration and shear flow radically decreases the shear viscosity. Comparison between reference shear viscosities at specified shear rates and those measured under vibration shows considerable differences in flow properties. Conversion of the behaviour of the concentrated suspension from strongly shear-thinning to Newtonian flow is reported. Also, the appearance of vibration-induced dilatancy as a new phenomenon is described. It is suggested to relate such phenomena to the non-equilibrium between structure formation and disintegration under vibration and hydrodynamic forces of shear flow. The influence of vibration on structure formation can be well observed during measurement of the yield value of the chocolate suspension under vibration. Comparison with reference data shows how sensitive the structure of the concentrated suspension is to vibration in general. The effects and observations revealed provide a solid basis for further fundamental investigations of structure formation regularities in the flow of any highly concentrated system. The results also show the technological potential for non-conventional treatment of concentrated, multiphase systems.

BROADBAND RADIO POLARIMETRY AND FARADAY ROTATION OF 563 EXTRAGALACTIC RADIO SOURCES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, C. S.; Gaensler, B. M.; Feain, I. J.

2015-12-10

We present a broadband spectropolarimetric survey of 563 discrete, mostly unresolved radio sources between 1.3 and 2.0 GHz using data taken with the Australia Telescope Compact Array. We have used rotation-measure synthesis to identify Faraday-complex polarized sources, those objects whose frequency-dependent polarization behavior indicates the presence of material possessing complicated magnetoionic structure along the line of sight (LOS). For sources classified as Faraday-complex, we have analyzed a number of their radio and multiwavelength properties to determine whether they differ from Faraday-simple polarized sources (sources for which LOS magnetoionic structures are comparatively simple) in these properties. We use this information tomore » constrain the physical nature of the magnetoionic structures responsible for generating the observed complexity. We detect Faraday complexity in 12% of polarized sources at ∼1′ resolution, but we demonstrate that underlying signal-to-noise limitations mean the true percentage is likely to be significantly higher in the polarized radio source population. We find that the properties of Faraday-complex objects are diverse, but that complexity is most often associated with depolarization of extended radio sources possessing a relatively steep total intensity spectrum. We find an association between Faraday complexity and LOS structure in the Galactic interstellar medium (ISM) and claim that a significant proportion of the Faraday complexity we observe may be generated at interfaces of the ISM associated with ionization fronts near neutral hydrogen structures. Galaxy cluster environments and internally generated Faraday complexity provide possible alternative explanations in some cases.« less

Cation-induced band-gap tuning in organohalide perovskites: interplay of spin-orbit coupling and octahedra tilting.

PubMed

Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin, Md K; Grätzel, Michael; De Angelis, Filippo

2014-06-11

Organohalide lead perovskites have revolutionized the scenario of emerging photovoltaic technologies. The prototype MAPbI3 perovskite (MA = CH3NH3(+)) has dominated the field, despite only harvesting photons above 750 nm (∼1.6 eV). Intensive research efforts are being devoted to find new perovskites with red-shifted absorption onset, along with good charge transport properties. Recently, a new perovskite based on the formamidinium cation ((NH2)2CH(+) = FA) has shown potentially superior properties in terms of band gap and charge transport compared to MAPbI3. The results have been interpreted in terms of the cation size, with the larger FA cation expectedly delivering reduced band-gaps in Pb-based perovskites. To provide a full understanding of the interplay among size, structure, and organic/inorganic interactions in determining the properties of APbI3 perovskites, in view of designing new materials and fully exploiting them for solar cells applications, we report a fully first-principles investigation on APbI3 perovskites with A = Cs(+), MA, and FA. Our results evidence that the tetragonal-to-quasi cubic structural evolution observed when moving from MA to FA is due to the interplay of size effects and enhanced hydrogen bonding between the FA cations and the inorganic matrix altering the covalent/ionic character of Pb-I bonds. Most notably, the observed cation-induced structural variability promotes markedly different electronic and optical properties in the MAPbI3 and FAPbI3 perovskites, mediated by the different spin-orbit coupling, leading to improved charge transport and red-shifted absorption in FAPbI3 and in general in pseudocubic structures. Our theoretical model constitutes the basis for the rationale design of new and more efficient organohalide perovskites for solar cells applications.

Significant Differences in Physicochemical Properties of Human Immunoglobulin Kappa and Lambda CDR3 Regions.

PubMed

Townsend, Catherine L; Laffy, Julie M J; Wu, Yu-Chang Bryan; Silva O'Hare, Joselli; Martin, Victoria; Kipling, David; Fraternali, Franca; Dunn-Walters, Deborah K

2016-01-01

Antibody variable regions are composed of a heavy and a light chain, and in humans, there are two light chain isotypes: kappa and lambda. Despite their importance in receptor editing, the light chain is often overlooked in the antibody literature, with the focus being on the heavy chain complementarity-determining region (CDR)-H3 region. In this paper, we set out to investigate the physicochemical and structural differences between human kappa and lambda light chain CDR regions. We constructed a dataset containing over 29,000 light chain variable region sequences from IgM-transcribing, newly formed B cells isolated from human bone marrow and peripheral blood. We also used a published human naïve dataset to investigate the CDR-H3 properties of heavy chains paired with kappa and lambda light chains and probed the Protein Data Bank to investigate the structural differences between kappa and lambda antibody CDR regions. We found that kappa and lambda light chains have very different CDR physicochemical and structural properties, whereas the heavy chains with which they are paired do not differ significantly. We also observed that the mean CDR3 N nucleotide addition in the kappa, lambda, and heavy chain gene rearrangements are correlated within donors but can differ between donors. This indicates that terminal deoxynucleotidyl transferase may work with differing efficiencies between different people but the same efficiency in the different classes of immunoglobulin chain within one person. We have observed large differences in the physicochemical and structural properties of kappa and lambda light chain CDR regions. This may reflect different roles in the humoral immune response.

Significant Differences in Physicochemical Properties of Human Immunoglobulin Kappa and Lambda CDR3 Regions

PubMed Central

Townsend, Catherine L.; Laffy, Julie M. J.; Wu, Yu-Chang Bryan; Silva O’Hare, Joselli; Martin, Victoria; Kipling, David; Fraternali, Franca; Dunn-Walters, Deborah K.

2016-01-01

Antibody variable regions are composed of a heavy and a light chain, and in humans, there are two light chain isotypes: kappa and lambda. Despite their importance in receptor editing, the light chain is often overlooked in the antibody literature, with the focus being on the heavy chain complementarity-determining region (CDR)-H3 region. In this paper, we set out to investigate the physicochemical and structural differences between human kappa and lambda light chain CDR regions. We constructed a dataset containing over 29,000 light chain variable region sequences from IgM-transcribing, newly formed B cells isolated from human bone marrow and peripheral blood. We also used a published human naïve dataset to investigate the CDR-H3 properties of heavy chains paired with kappa and lambda light chains and probed the Protein Data Bank to investigate the structural differences between kappa and lambda antibody CDR regions. We found that kappa and lambda light chains have very different CDR physicochemical and structural properties, whereas the heavy chains with which they are paired do not differ significantly. We also observed that the mean CDR3 N nucleotide addition in the kappa, lambda, and heavy chain gene rearrangements are correlated within donors but can differ between donors. This indicates that terminal deoxynucleotidyl transferase may work with differing efficiencies between different people but the same efficiency in the different classes of immunoglobulin chain within one person. We have observed large differences in the physicochemical and structural properties of kappa and lambda light chain CDR regions. This may reflect different roles in the humoral immune response. PMID:27729912

Physical properties of antiferromagnetic Mn doped ZnO samples: Role of impurity phase

NASA Astrophysics Data System (ADS)

Neogi, S. K.; Karmakar, R.; Misra, A. K.; Banerjee, A.; Das, D.; Bandyopadhyay, S.

2013-11-01

Structural, morphological, optical, and magnetic properties of nanocrystalline Zn1-xMnxO samples (x=0.01, 0.02, 0.04, 0.06, 0.08 and 0.10) prepared by the sol-gel route are studied by X-ray diffraction (XRD), Scanning electron microscopy (SEM), UV-visible absorption spectroscopy, Superconducting quantum interference device (SQUID) magnetometry and positron annihilation lifetime spectroscopy (PALS). XRD confirms formation of wurzite structure in all the Mn-substituted samples. A systematic increase in lattice constants and decrease in grain size have been observed with increase in manganese doping concentration up to 6 at% in the ZnO structure. An impurity phase (ZnMnO3) has been detected when percentage of Mn concentration is 6 at% or higher. The optical band gap of the Mn-substituted ZnO samples decrease with increase in doping concentration of manganese whereas the width of the localized states increases. The antiferromagnetic exchange interaction is strong in the samples for 2 and 4 at% of Mn doping but it reduces when the doping level increases from 6 at% and further. Positron life time components τ1 and τ2 are found to decrease when concentration of the dopant exceeds 6 at%. The changes in magnetic properties as well as positron annihilation parameters at higher manganese concentration have been assigned as due to the formation of impurity phase. Single phase structure has been observed up to 6 at% of Mn doping. Impurity phase has been developed above 6 at% of Mn doping. Antiferromagnetic and paramagnetic interactions are present in the samples. Defect parameters show sharp fall as Mn concentration above 6 at%. The magnetic and defect properties are modified by the formation of impurity phase.

Effect of chitosan coating on the structural and magnetic properties of MnFe2O4 and Mn0.5Co0.5Fe2O4 nanoparticles

NASA Astrophysics Data System (ADS)

Mdlalose, W. B.; Mokhosi, S. R.; Dlamini, S.; Moyo, T.; Singh, M.

2018-05-01

We report the influence of polymer coatings on structural and magnetic properties of MnFe2O4 and Mn0.5Co0.5Fe2O4 nanoferrites synthesized by glycol thermal technique and then coated with chitosan viz. CHI-MnFe2O4 and CHI-Mn0.5Co0.5Fe2O4. The compounds were characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), high-resolution scanning electron microscopy (HRSEM), Mössbauer spectroscopy and magnetization measurements. The powder XRD patterns of naked nanoferrites confirmed single-phase spinel cubic structure with an average crystallite size of 13 nm, while the coated samples exhibited an average particle size of 15 nm. We observed a reduction in lattice parameters with coating. HRTEM results correlated well with XRD results. 57Fe Mössbauer spectra showed ordered magnetic spin states in both nanoferrites. This study shows that coatings have significant effects on the structural and magnetic properties of Mn-nanoferrites. Magnetization studies performed at room temperature in fields up to 14 kOe revealed the superparamagnetic nature of both naked and coated nanoparticles with spontaneous magnetizations at room temperature of 49.2 emu/g for MnFe2O4, 23.6 emu/g for coated CHI-MnFe2O4 nanoparticles, 63.2 emu/g for Mn0.5Co0.5Fe2O4 and 33.2 emu/g for coated CHI-Mn0.5Co0.5Fe2O4 nanoparticles. We observed reduction in coercive fields due to coating. Overall, chitosan-coated manganese and manganese-cobalt nanoferrites present as suitable candidates for biomedical applications owing to physicochemical, and magnetic properties exhibited.

Structural and optical properties of Bi2O3-B2O3-CdO-Na2O glass system for gamma ray shielding applications

NASA Astrophysics Data System (ADS)

Dogra, Mridula; Singh, K. J.; Kaur, Kulwinder

2018-05-01

Quaternary system of the composition (0.15+x) Bi2O3-(0.55-x) B2O3-0.15CdO-0.15Na2O (where x=0, 0.1, 0.3 and 0.5 mole fraction) has been synthesized using melt-quenching technique. Gamma ray shielding properties are measured in terms of mass attenuation coefficient and half value layer at photon energies 662, 1173 and 1332 keV. These parameters are compared with standard nuclear radiation shielding `barite and ferrite' concretes. The results reflect better radiation shielding properties as compared to barite and ferrite concretes. Effective atomic number is calculated at photon energies 662 and 1173 keV. Density, molar volume and XRD studies are analyzed to know physical and structural properties of the glass system. Optical band gap, refractive index and molar refraction are calculated from UV-Visible measurements. Decrease in optical band gap and increase in molar refraction have been observed indicating the increase of non-bridging oxygens in the structure.

Structural properties of glucose-dimethylsulfoxide solutions probed by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Paolantoni, Marco; Gallina, Maria Elena; Sassi, Paola; Morresi, Assunta

2009-04-01

Raman spectroscopy was employed to achieve a molecular level description of solvation properties in glucose-dimethylsulfoxide (DMSO) solutions. The analysis of Raman spectra confirms the importance of the dipole-dipole interaction in determining structural properties of pure DMSO; the overall intermolecular structure is maintained in the whole 20-75 °C temperature range investigated. The blueshift of the CH stretching modes observed at higher temperatures points out that CH3⋯O contacts contribute to the cohesive energy of the DMSO liquid system. The addition of glucose perturbs the intermolecular ordering of DMSO owing to the formation of stable solute-solvent hydrogen bonds. The average number of OH⋯OS contacts (3.2±0.3) and their corresponding energy (˜20 kJ/mol) were estimated. Besides, the concentration dependence of the CH stretching bands and the behavior of the noncoincidence effect on the SO band, suggest that the dipole-dipole and CH3⋯O interactions among DMSO molecules are disfavored within the glucose solvation layer. These findings contribute to improve our understanding about the microscopic origin of solvent properties of DMSO toward more complex biomolecular systems.

Modeling Optical and Radiative Properties of Clouds Constrained with CARDEX Observations

NASA Astrophysics Data System (ADS)

Mishra, S. K.; Praveen, P. S.; Ramanathan, V.

2013-12-01

Carbonaceous aerosols (CA) have important effects on climate by directly absorbing solar radiation and indirectly changing cloud properties. These particles tend to be a complex mixture of graphitic carbon and organic compounds. The graphitic component, called as elemental carbon (EC), is characterized by significant absorption of solar radiation. Recent studies showed that organic carbon (OC) aerosols absorb strongly near UV region, and this faction is known as Brown Carbon (BrC). The indirect effect of CA can occur in two ways, first by changing the thermal structure of the atmosphere which further affects dynamical processes governing cloud life cycle; secondly, by acting as cloud condensation nuclei (CCN) that can change cloud radiative properties. In this work, cloud optical properties have been numerically estimated by accounting for CAEDEX (Cloud Aerosol Radiative Forcing Dynamics Experiment) observed cloud parameters and the physico-chemical and optical properties of aerosols. The aerosol inclusions in the cloud drop have been considered as core shell structure with core as EC and shell comprising of ammonium sulfate, ammonium nitrate, sea salt and organic carbon (organic acids, OA and brown carbon, BrC). The EC/OC ratio of the inclusion particles have been constrained based on observations. Moderate and heavy pollution events have been decided based on the aerosol number and BC concentration. Cloud drop's co-albedo at 550nm was found nearly identical for pure EC sphere inclusions and core-shell inclusions with all non-absorbing organics in the shell. However, co-albedo was found to increase for the drop having all BrC in the shell. The co-albedo of a cloud drop was found to be the maximum for all aerosol present as interstitial compare to 50% and 0% inclusions existing as interstitial aerosols. The co-albedo was found to be ~ 9.87e-4 for the drop with 100% inclusions existing as interstitial aerosols externally mixed with micron size mineral dust with 2% hematite content. The cloud spectral optical properties and the radiative properties for the aforesaid cases during CARDEX observations will be discussed in detail.

Charge delocalization characteristics of regioregular high mobility polymers

DOE PAGES

Coughlin, J. E.; Zhugayevych, A.; Wang, M.; ...

2017-01-01

Controlling the regioregularity among the structural units of narrow bandgap conjugated polymer backbones has led to improvements in optoelectronic properties, for example in the mobilities observed in field effect transistor devices. To investigate how the regioregularity affects quantities relevant to hole transport, regioregular and regiorandom oligomers representative of polymeric structures were studied using density functional theory. Several structural and electronic characteristics of the oligomers were compared, including chain planarity, cation spin density, excess charges on molecular units and internal reorganizational energy. The main difference between the regioregular and regiorandom oligomers is found to be the conjugated backbone planarity, while themore » reorganizational energies calculated are quite similar across the molecular family. Lastly, this work constitutes the first step on understanding the complex interplay of atomistic changes and an oligomer backbone structure toward modeling the charge transport properties.« less

Structural changes and rheological properties of dry abalone meat ( Haliotis diversicolor) during the process of water restoration

NASA Astrophysics Data System (ADS)

Gao, Xin; Zhang, Yaqi; Xu, Jiachao; Sun, Yan; Zhao, Qingxi; Chang, Yaoguang

2007-10-01

Changes in tissue structure, rheological property and water content of dry abalone meat in the process of water restoration were studied. The weight and volume of dry abalone meat increased with water restoration. When observed under a light microscope, structural change in myofibrils was obvious and a distinct network was found. When water restoration time increased from 24 h to 72 h, the instantaneous modulus E 0 and viscosity η 1 increased, whereas the rupture strength and relaxation time ( τ 1) were reduced. There were no significant changes of rheological parameters ( E 0, η 1, τ 1, rupture strength) from 72 h to 96 h of water restoration. Therefore, the dry abalone meat was swollen enough at the time of 72 h. The rheological parameters were obviously influenced by the structural changes.

Study of the structural and optical properties of GaP(N) layers synthesized by molecular-beam epitaxy on Si(100) 4° substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kryzhanovskaya, N. V., E-mail: NataliaKryzh@gmail.com; Polubavkina, Yu. S.; Nevedomskiy, V. N.

The structural and optical properties of GaP and GaPN layers synthesized by molecular-beam epitaxy on Si(100) substrates misoriented by 4° are studied. The possibility of producing GaP buffer layers that exhibit a high degree of heterointerface planarity and an outcropping dislocation density of no higher than ~2 × 10{sup 8} cm{sup –2} is shown. Emission from the Si/GaP/GaPN structure in the spectral range of 630–640 nm at room temperature is observed. Annealing during growth of the Si/GaP/GaPN structure makes it possible to enhance the room-temperature photoluminescence intensity by a factor of 2.6, with no shift of the maximum of themore » emission line.« less

Evaluation of consolidation method on mechanical and structural properties of ODS RAF steel

NASA Astrophysics Data System (ADS)

Frelek-Kozak, M.; Kurpaska, L.; Wyszkowska, E.; Jagielski, J.; Jozwik, I.; Chmielewski, M.

2018-07-01

In the present work, the effects of the fabrication method on mechanical and structural properties of 12%Cr, 2%W, 0.25%Ti, 0.25%Y2O3 steels were investigated. Materials obtained by Spark Plasma Sintering (SPS), Hot Isostatic Pressing (HIP) and Hot Extrusion (HE) methods were studied. The microstructure was characterized by using Scanning Electron Microscopy (SEM) and Electron Backscatter Diffraction analysis (EBSD). Mechanical properties of the studied samples were evaluated by using Vickers micro hardness HV0.1, Small Punch Test (SPT) and nanoindentation (NI) methods. The analysis revealed that samples manufactured via HIP and SPS processes exhibit very similar properties, whereas SPS method produces material with slightly lower hardness. In addition, significantly lower mechanical properties of the specimens after HE process were observed. The study described in this article addresses also the problems of mechanical parameters measured in micro- and nano-scale experiments and aims to identify possible pitfalls related to the use of various manufacturing technologies.

Facile growth of barium oxide nanorods: structural and optical properties.

PubMed

Ahmad, Naushad; Wahab, Rizwan; Alam, Manawwer

2014-07-01

This paper reports a large-scale synthesis of barium oxide nanorods (BaO-NRs) by simple solution method at a very low-temperature of - 60 degrees C. The as-grown BaO-NRs were characterized in terms of their morphological, structural, compositional, optical and thermal properties. The morphological characterizations of as-synthesized nanorods were done by scanning electron microscopy (SEM) which confirmed that the synthesized products are rod shaped and grown in high density. The nanorods exhibits smooth and clean surfaces throughout their lengths. The crystalline property of the material was analyzed with X-ray diffraction pattern (XRD). The compositional and thermal properties of synthesized nanorods were observed via Fourier transform infrared (FTIR) spectroscopy and thermogravimetric analysis which confirmed that the synthesized nanorods are pure BaO and showed good thermal stability. The nanorods exhibited good optical properties as was confirmed from the room-temperature UV-vis spectroscopy. Finally, a plausible mechanism for the formation of BaO-NRs is also discussed in this paper.

Thermoelectric Properties of Complex Oxide Heterostructures

NASA Astrophysics Data System (ADS)

Cain, Tyler Andrew

Thermoelectrics are a promising energy conversion technology for power generation and cooling systems. The thermal and electrical properties of the materials at the heart of thermoelectric devices dictate conversion efficiency and technological viability. Studying the fundamental properties of potentially new thermoelectric materials is of great importance for improving device performance and understanding the electronic structure of materials systems. In this dissertation, investigations on the thermoelectric properties of a prototypical complex oxide, SrTiO3, are discussed. Hybrid molecular beam epitaxy (MBE) is used to synthesize La-doped SrTiO3 thin films, which exhibit high electron mobilities and large Seebeck coefficients resulting in large thermoelectric power factors at low temperatures. Large interfacial electron densities have been observed in SrTiO3/RTiO 3 (R=Gd,Sm) heterostructures. The thermoelectric properties of such heterostructures are investigated, including the use of a modulation doping approach to control interfacial electron densities. Low-temperature Seebeck coefficients of extreme electron-density SrTiO3 quantum wells are shown to provide insight into their electronic structure.

Study of structural, electronic and optical properties of tungsten doped bismuth oxychloride by DFT calculations.

PubMed

Yang, Wenjuan; Wen, Yanwei; Chen, Rong; Zeng, Dawen; Shan, Bin

2014-10-21

First-principle calculations have been carried out to investigate structural stabilities, electronic structures and optical properties of tungsten doped bismuth oxychloride (BiOCl). The structures of substitutional and interstitial tungsten, and in the form of WO6-ligand-doped BiOCl are examined. The substitutional and interstitial tungsten doping leads to discrete midgap states within the forbidden band gap, which has an adverse effect on the photocatalytic properties. On the other hand, the WO6-ligand-doped BiOCl structure induces a continuum of hybridized states in the forbidden gap, which favors transport of electrons and holes and could result in enhancement of visible light activity. In addition, the band gap of WO6-BiOCl decreases by 0.25 eV with valence band maximum (VBM) shifting upwards compared to that of pure BiOCl. By calculating optical absorption spectra of pure BiOCl and WO6-ligand-doped BiOCl structure, it is found that the absorption peak of the WO6-ligand-doped BiOCl structure has a red shift towards visible light compared with that of pure BiOCl, which agrees well with experimental observations. These results reveal the tungsten doped BiOCl system as a promising material in photocatalytic decomposition of organics and water splitting under sunlight irradiation.

Electronic and thermodynamic properties of layered Hf2Sfrom first-principles calculations

NASA Astrophysics Data System (ADS)

Nandadasa, Chandani; Yoon, Mina; Kim, Seong-Gon; Erwin, Steve; Kim, Sungho; Kim, Sung Wng; Lee, Kimoon

Theoretically we explored two stable phases of inorganic fullerene-like structure of the layered dihafnium sulfide (Hf2 S) . We investigated structural and electronic properties of the two phases of Hf2 S by using first-principles calculations. Our calculation identifies experimentally observed anti-NbS2 structure of Hf2 S . Our electronic calculation results indicate that the density of states of anti- NbS2 structure of Hf2 S at fermi level is less than that of the other phase of Hf2 S . To study the relative stability of different phases at finite temperature Helmholtz free energies of two phases are obtained using density functional theory and density functional perturbation theory. The free energy of the anti-NbS2 structure of Hf2 S always lies below the free energy of the other phase by confirming the most stable structure of Hf2 S . The phonon dispersion, phonon density of states including partial density of states and total density of states are obtained within density functional perturbation theory. Our calculated zero-pressure phonon dispersion curves confirm that the thermodynamic stability of Hf2 S structures. For further investigation of thermodynamic properties, the temperature dependency of thermal expansion, heat capacities at constant pressure and volume are evaluated within the quasiharmonic approximations (QHA).

Waveguide resonance mode response of stacked structures of metallic sub-wavelength slit arrays

NASA Astrophysics Data System (ADS)

Tokuda, Yasunori; Takano, Keisuke; Sakaguchi, Koichiro; Kato, Kosaku; Nakajima, Makoto; Akiyama, Koichi

2018-05-01

Detailed measurements of the optical properties of two-tier systems composed of metallic plates perforated with periodic sub-wavelength slit patterns were carried out using terahertz time-domain spectroscopy. We demonstrate that the transmission properties observed experimentally for various configurations can be reproduced successfully by simulations based on the finite-differential time-domain method. Fabry-Perot-like waveguide resonance mode behaviors specific to this quasi-dielectric system were then investigated. For structures with no lateral displacement between the slit-array plates, mode disappearance phenomena, which are caused by destructive interference between the odd-order mode and the blue- or red-shifted even-order modes, were observed experimentally. The uncommon behavior of the even-order modes was examined precisely to explain the slit-width dependence. For structures with half-pitched displacement between the plates, extraordinarily strong transmission was observed experimentally, even when the optical paths were shut off. This result was interpreted in terms of the propagation of surface plasmon polaritons through very thin and labyrinthine spacings that inevitably exist between the metallic plates. Furthermore, the optical mode disappearance phenomena are revealed to be characterized by anticrossing of the two mixing modes formed by even- and odd-order modes. These experimental observations that are supported theoretically are indispensable to the practical use of this type of artificial dielectric and are expected to encourage interest in optical mode behaviors that are not typically observed in conventional dielectric systems.

Mechanical properties of DNA origami nanoassemblies are determined by Holliday junction mechanophores.

PubMed

Shrestha, Prakash; Emura, Tomoko; Koirala, Deepak; Cui, Yunxi; Hidaka, Kumi; Maximuck, William J; Endo, Masayuki; Sugiyama, Hiroshi; Mao, Hanbin

2016-08-19

DNA nanoassemblies have demonstrated wide applications in various fields including nanomaterials, drug delivery and biosensing. In DNA origami, single-stranded DNA template is shaped into desired nanostructure by DNA staples that form Holliday junctions with the template. Limited by current methodologies, however, mechanical properties of DNA origami structures have not been adequately characterized, which hinders further applications of these materials. Using laser tweezers, here, we have described two mechanical properties of DNA nanoassemblies represented by DNA nanotubes, DNA nanopyramids and DNA nanotiles. First, mechanical stability of DNA origami structures is determined by the effective density of Holliday junctions along a particular stress direction. Second, mechanical isomerization observed between two conformations of DNA nanotubes at 10-35 pN has been ascribed to the collective actions of individual Holliday junctions, which are only possible in DNA origami with rotational symmetric arrangements of Holliday junctions, such as those in DNA nanotubes. Our results indicate that Holliday junctions control mechanical behaviors of DNA nanoassemblies. Therefore, they can be considered as 'mechanophores' that sustain mechanical properties of origami nanoassemblies. The mechanical properties observed here provide insights for designing better DNA nanostructures. In addition, the unprecedented mechanical isomerization process brings new strategies for the development of nano-sensors and actuators. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

[Structure and properties of colored dental tetragonal zirconia stabilized by yttrium ceramics].

PubMed

Yi, Yuan-fu; Wang, Chen; Wen, Ning; Lin, Yong-zhao; Tian, Jie-mo

2009-10-01

To investigate the structure, mechanical and low temperature aging properties of colored dental zirconia ceramics. 5 graded colored dental zirconia ceramics were made by adding colorants and their combinations into a 3Y-TZP (tetragonal zirconia stabilized by 3mol% yttrium) powder, the green body were compacted at 200 MPa, pre-sinter at 1,050 degrees C and maintained for 2 h, then densely sintered at 1,500 degrees C for 2 h. Specimens were cut from each of the 5 graded colored blocks. Physical, mechanical properties as well as chemical stability were tested, microstructure were observed, crystalline phase were identified by X-ray diffraction (XRD), aging properties were assessed by measurement of the relative content of monoclinic phase and bending strength testing. The overall density of colored zirconia ceramics was over 99.7%, linear shrinkage was about 20%, while thermal expansion coefficient was about 11 x 10(-6) x degrees C(-1), the crystalline phase was tetragonal, bending strength was over 900 MPa which was slightly lowered than that of the uncolored zirconia, fracture toughness was slightly higher. Good chemical stability in acetic acid was observed. After aging treatment, tetragonal-to-monoclinic phase transformation was detected up to 40%, while bending strength was not significantly degraded. The results showed that colored 3Y-TZP ceramics presented good mechanical properties even after aging treatments, and was suitable for dental clinical use.

Ho3+-doped strontium-aluminium-bismuth-borate glasses for green light emission.

PubMed

Rajesh, D; Dhamodhara Naidu, M; Ratnakaram, Y C; Balakrishna, A

2014-11-01

Strontium-aluminium-bismuth-borate glasses (SAlBiB) doped with different concentrations of Ho(3+) were prepared using conventional melt quenching technique and their structural and optical properties investigated. X-ray diffraction and scanning electron microscopy analysis were used to study the structural properties. Optical properties were studied by measuring the optical absorption and visible luminescence spectra. The Judd-Ofelt (J-O) theory was applied to evaluate J-O intensity parameters, Ω(λ) (λ = 2, 4 and 6). Using J-O intensity parameters, radiative properties such as spontaneous transition probabilities (A(R)), branching ratios (β(R)) and radiative lifetimes (τ(R)) were determined. From the emission spectra, a strong green emission nearly at 549 nm corresponding to the transition, (5)S2 ((5)F4)→(5)I(8) was observed. Emission peak positions (λ(P)), effective bandwidths (Δλ(eff)) and stimulated emission cross-sections (σ(p)) were calculated for the observed emission transitions, (5)F3 →(5)I(8), (5)S2((5)F4)→(5)I(8) and (5)F5 →(5)I(8) of Ho(3+) in all the glass matrices. Chromaticity color coordinates were calculated using the emission spectra. The experimental results suggest that SAlBiB glass matrix with 1.5 mol% of Ho(3+) has better emission properties. Copyright © 2014 John Wiley & Sons, Ltd.

Isolated and modulated effects of topology and material type on the mechanical properties of additively manufactured porous biomaterials.

PubMed

Hedayati, R; Ahmadi, S M; Lietaert, K; Pouran, B; Li, Y; Weinans, H; Rans, C D; Zadpoor, A A

2018-03-01

In this study, we tried to quantify the isolated and modulated effects of topological design and material type on the mechanical properties of AM porous biomaterials. Towards this aim, we assembled a large dataset comprising the mechanical properties of AM porous biomaterials with different topological designs (i.e. different unit cell types and relative densities) and material types. Porous structures were additively manufactured from Co-Cr using a selective laser melting (SLM) machine and tested under quasi-static compression. The normalized mechanical properties obtained from those structures were compared with mechanical properties available from our previous studies for porous structures made from Ti-6Al-4V and pure titanium as well as with analytical solutions. The normalized values of elastic modulus and yield stress were found to be relatively close to each other as well as in agreement with analytical solutions regardless of material type. However, the material type was found to systematically affect the mechanical properties of AM porous biomaterials in general and the post-elastic/post-yield range (plateau stress and energy absorption capacity) in particular. To put this in perspective, topological design could cause up to 10-fold difference in the mechanical properties of AM porous biomaterials while up to 2-fold difference was observed as a consequence of changing the material type. Copyright © 2017 Elsevier Ltd. All rights reserved.

Surface plasmon resonance and polarization change properties in centrosymmetric nanoright-triangle dimer arrays

NASA Astrophysics Data System (ADS)

Ma, Qilin; Liu, Guangqiang; Chen, Yiqing; Zhao, Qian; Guo, Jing; Yang, Shaosong; Cai, Weiping

2018-03-01

Dimer nanoparticles in a sandwich structure exhibit a large electric-field intensity enhancement. The dispersion relation between the surface plasmon resonance (SPR) and particle size has not been reported yet, owing to the effects of the particle size, shape, materials, etc. A sandwich structure, which contains a nano-right-triangle dimer array, SiO2 spacer, and Au film, is proposed, with a significant electric-field intensity enhancement and polarization-changing properties. The dependence of the peak positions of the two localized surface plasmon resonance (LSPR) modes as a function of the triangle thicknesses is discussed; different trends are observed for the different LSPR modes. We introduce a concept on the rule for LSPR peak position change, which can contribute to a better understanding of the LSPR modes. In addition, centrosymmetric but not axisymmetric structures, which like in our study exhibit surface plasmon polaritons typically show different responses to a different polarization of the incident light. Here, we showed that our centrosymmetric but not axisymmetric structure can change the linearly polarized light into a circularly or elliptically polarized wave, by surface plasmon-induced polarization properties. Far-field distribution maps are used to study the properties of the surface plasmons-induced circular or elliptic polarization wave. These findings could be employed to better understand the surface plasmon-induced polarization properties showed in previous reports and near-field of surface plasmons. These findings could be employed to better understand the near-field of surface plasmons and polarization properties.

Structural properties of prokaryotic promoter regions correlate with functional features.

PubMed

Meysman, Pieter; Collado-Vides, Julio; Morett, Enrique; Viola, Roberto; Engelen, Kristof; Laukens, Kris

2014-01-01

The structural properties of the DNA molecule are known to play a critical role in transcription. In this paper, the structural profiles of promoter regions were studied within the context of their diversity and their function for eleven prokaryotic species; Escherichia coli, Klebsiella pneumoniae, Salmonella Typhimurium, Pseudomonas auroginosa, Geobacter sulfurreducens Helicobacter pylori, Chlamydophila pneumoniae, Synechocystis sp., Synechoccocus elongates, Bacillus anthracis, and the archaea Sulfolobus solfataricus. The main anchor point for these promoter regions were transcription start sites identified through high-throughput experiments or collected within large curated databases. Prokaryotic promoter regions were found to be less stable and less flexible than the genomic mean across all studied species. However, direct comparison between species revealed differences in their structural profiles that can not solely be explained by the difference in genomic GC content. In addition, comparison with functional data revealed that there are patterns in the promoter structural profiles that can be linked to specific functional loci, such as sigma factor regulation or transcription factor binding. Interestingly, a novel structural element clearly visible near the transcription start site was found in genes associated with essential cellular functions and growth in several species. Our analyses reveals the great diversity in promoter structural profiles both between and within prokaryotic species. We observed relationships between structural diversity and functional features that are interesting prospects for further research to yet uncharacterized functional loci defined by DNA structural properties.