Estimation of time-series properties of gourd observed solar irradiance data using cloud properties derived from satellite observations

NASA Astrophysics Data System (ADS)

Watanabe, T.; Nohara, D.

2017-12-01

The shorter temporal scale variation in the downward solar irradiance at the ground level (DSI) is not understood well because researches in the shorter-scale variation in the DSI is based on the ground observation and ground observation stations are located coarsely. Use of dataset derived from satellite observation will overcome such defect. DSI data and MODIS cloud properties product are analyzed simultaneously. Three metrics: mean, standard deviation and sample entropy, are used to evaluate time-series properties of the DSI. Three metrics are computed from two-hours time-series centered at the observation time of MODIS over the ground observation stations. We apply the regression methods to design prediction models of each three metrics from cloud properties. The validation of the model accuracy show that mean and standard deviation are predicted with a higher degree of accuracy and that the accuracy of prediction of sample entropy, which represents the complexity of time-series, is not high. One of causes of lower prediction skill of sample entropy is the resolution of the MODIS cloud properties. Higher sample entropy is corresponding to the rapid fluctuation, which is caused by the small and unordered cloud. It seems that such clouds isn't retrieved well.

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.

The Structures & Properties of Carbon

ERIC Educational Resources Information Center

Castellini, Olivia M.; Lisensky, George C.; Ehrlich, Jennifer; Zenner, Greta M.; Crone, Wendy C.

2006-01-01

The four main forms of carbon--diamond, graphite, buckyballs, and carbon nanotubes (CNTs)--are an excellent vehicle for teaching fundamental principles of chemical bonding, material structure, and properties. Carbon atoms form a variety of structures that are intrinsically connected to the properties they exhibit. Educators can take advantage of…

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.

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.

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.

Structure, processing, and properties of potatoes

NASA Astrophysics Data System (ADS)

Lloyd, Isabel K.; Kolos, Kimberly R.; Menegaux, Edmond C.; Luo, Huy; McCuen, Richard H.; Regan, Thomas M.

1992-06-01

The objective of this experiment and lesson intended for high school students in an engineering or materials science course or college freshmen is to demonstrate the relation between processing, structure, and thermodynamic and physical properties. The specific objectives are to show the effect of structure and structural changes on thermodynamic properties (specific heat) and physical properties (compressive strength); to illustrate the first law of thermodynamics; to compare boiling a potato in water with cooking it in a microwave in terms of the rate of structural change and the energy consumed to 'process' the potato; and to demonstrate compression testing.

Structure, processing, and properties of potatoes

NASA Technical Reports Server (NTRS)

Lloyd, Isabel K.; Kolos, Kimberly R.; Menegaux, Edmond C.; Luo, Huy; Mccuen, Richard H.; Regan, Thomas M.

1992-01-01

The objective of this experiment and lesson intended for high school students in an engineering or materials science course or college freshmen is to demonstrate the relation between processing, structure, and thermodynamic and physical properties. The specific objectives are to show the effect of structure and structural changes on thermodynamic properties (specific heat) and physical properties (compressive strength); to illustrate the first law of thermodynamics; to compare boiling a potato in water with cooking it in a microwave in terms of the rate of structural change and the energy consumed to 'process' the potato; and to demonstrate compression testing.

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

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.

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 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.

The composite hydrogels of polyvinyl alcohol-gellan gum-Ca(2+) with improved network structure and mechanical property.

PubMed

Wang, Fei; Wen, Ying; Bai, Tongchun

2016-12-01

The composite hydrogels of polyvinyl alcohol (PVA) and gellan gum (GG) are of interesting in the biomaterials application. To improve the structure and mechanical property, in this work, Ca(2+) ion was introduced to crosslink the polymer chain, and the PVA-GG-Ca(2+) hydrogel was formed. By analyzing its structure, mechanical properties, swelling and dehydration kinetics, the effect of molecular interaction on hydrogel structure and properties have been observed. Our result indicates that, as GG is added to hydrogel network, the role of Ca(2+) ion is stand out, it reorganizes the network structure, enhances the mechanical properties, and strengthens the electrolytic and hydrogen bonding interactions in PVA-GG-Ca(2+) hydrogels. These observations will benefit the development of hydrogels in biomaterials application. Copyright © 2016. Published by Elsevier B.V.

Structure and Properties of Amorphous Transparent Conducting Oxides

NASA Astrophysics Data System (ADS)

Medvedeva, Julia

Driven by technological appeal, the research area of amorphous oxide semiconductors has grown tremendously since the first demonstration of the unique properties of amorphous indium oxide more than a decade ago. Today, amorphous oxides, such as a-ITO, a-IZO, a-IGZO, or a-ZITO, exhibit the optical, electrical, thermal, and mechanical properties that are comparable or even superior to those possessed by their crystalline counterparts, pushing the latter out of the market. Large-area uniformity, low-cost low-temperature deposition, high carrier mobility, optical transparency, and mechanical flexibility make these materials appealing for next-generation thin-film electronics. Yet, the structural variations associated with crystalline-to-amorphous transition as well as their role in carrier generation and transport properties of these oxides are far from being understood. Although amorphous oxides lack grain boundaries, factors like (i) size and distribution of nanocrystalline inclusions; (ii) spatial distribution and clustering of incorporated cations in multicomponent oxides; (iii) formation of trap defects; and (iv) piezoelectric effects associated with internal strains, will contribute to electron scattering. In this work, ab-initio molecular dynamics (MD) and accurate density-functional approaches are employed to understand how the properties of amorphous ternary and quaternary oxides depend on quench rates, cation compositions, and oxygen stoichiometries. The MD results, combined with thorough experimental characterization, reveal that interplay between the local and long-range structural preferences of the constituent oxides gives rise to a complex composition-dependent structural behavior in the amorphous oxides. The proposed network models of metal-oxygen polyhedra help explain the observed intriguing electrical and optical properties in In-based oxides and suggest ways to broaden the phase space of amorphous oxide semiconductors with tunable properties. The

Aircraft Structural Mass Property Prediction Using Conceptual-Level Structural Analysis

NASA Technical Reports Server (NTRS)

Sexstone, Matthew G.

1998-01-01

This paper describes a methodology that extends the use of the Equivalent LAminated Plate Solution (ELAPS) structural analysis code from conceptual-level aircraft structural analysis to conceptual-level aircraft mass property analysis. Mass property analysis in aircraft structures has historically depended upon parametric weight equations at the conceptual design level and Finite Element Analysis (FEA) at the detailed design level. ELAPS allows for the modeling of detailed geometry, metallic and composite materials, and non-structural mass coupled with analytical structural sizing to produce high-fidelity mass property analyses representing fully configured vehicles early in the design process. This capability is especially valuable for unusual configuration and advanced concept development where existing parametric weight equations are inapplicable and FEA is too time consuming for conceptual design. This paper contrasts the use of ELAPS relative to empirical weight equations and FEA. ELAPS modeling techniques are described and the ELAPS-based mass property analysis process is detailed. Examples of mass property stochastic calculations produced during a recent systems study are provided. This study involved the analysis of three remotely piloted aircraft required to carry scientific payloads to very high altitudes at subsonic speeds. Due to the extreme nature of this high-altitude flight regime, few existing vehicle designs are available for use in performance and weight prediction. ELAPS was employed within a concurrent engineering analysis process that simultaneously produces aerodynamic, structural, and static aeroelastic results for input to aircraft performance analyses. The ELAPS models produced for each concept were also used to provide stochastic analyses of wing structural mass properties. The results of this effort indicate that ELAPS is an efficient means to conduct multidisciplinary trade studies at the conceptual design level.

Aircraft Structural Mass Property Prediction Using Conceptual-Level Structural Analysis

NASA Technical Reports Server (NTRS)

Sexstone, Matthew G.

1998-01-01

This paper describes a methodology that extends the use of the Equivalent LAminated Plate Solution (ELAPS) structural analysis code from conceptual-level aircraft structural analysis to conceptual-level aircraft mass property analysis. Mass property analysis in aircraft structures has historically depended upon parametric weight equations at the conceptual design level and Finite Element Analysis (FEA) at the detailed design level ELAPS allows for the modeling of detailed geometry, metallic and composite materials, and non-structural mass coupled with analytical structural sizing to produce high-fidelity mass property analyses representing fully configured vehicles early in the design process. This capability is especially valuable for unusual configuration and advanced concept development where existing parametric weight equations are inapplicable and FEA is too time consuming for conceptual design. This paper contrasts the use of ELAPS relative to empirical weight equations and FEA. ELAPS modeling techniques are described and the ELAPS-based mass property analysis process is detailed Examples of mass property stochastic calculations produced during a recent systems study are provided This study involved the analysis of three remotely piloted aircraft required to carry scientific payloads to very high altitudes at subsonic speeds. Due to the extreme nature of this high-altitude flight regime,few existing vehicle designs are available for use in performance and weight prediction. ELAPS was employed within a concurrent engineering analysis process that simultaneously produces aerodynamic, structural, and static aeroelastic results for input to aircraft performance analyses. The ELAPS models produced for each concept were also used to provide stochastic analyses of wing structural mass properties. The results of this effort indicate that ELAPS is an efficient means to conduct multidisciplinary trade studies at the conceptual design level.

AERI Observations of Antarctic Clouds Properties During AWARE

NASA Astrophysics Data System (ADS)

Gero, P. J.; Rowe, P. M.; Walden, V. P.

2017-12-01

The ARM West Antarctic Radiation Experiment (AWARE) was a recent field campaign by the US Dept. of Energy's Atmospheric Radiation Measurement (ARM) program, in collaboration with the National Science Foundation, to measure the state of the atmosphere, the surface energy balance, and cloud properties in Antarctica. The main observing facility for AWARE, located near McMurdo Station, consisted of a wide variety of instrumentation, including an eddy-covariance system, surface aerosol measurements, cloud radar and lidar, broadband radiometers, microwave radiometer, and an infrared spectroradiometer (AERI). Collectively these measurements can be used to improve our understanding of the connections between the atmospheric state, cloud processes, and their effects on the surface energy budget. Thus, AWARE data have the potential to revolutionize our understanding of how the atmosphere and clouds impact the surface energy budget in this important region. The Atmospheric Emitted Radiance Interferometer (AERI) is a ground-based instrument developed at the University of Wisconsin-Madison that measures downwelling thermal infrared radiance from the atmosphere. Observations are made in the 400-3020 cm-1 (3.3-19 μm) spectral range with a resolution of 1 cm-1, with an accuracy better than 1% of ambient radiance. These observations can be used to obtain vertical profiles of tropospheric temperature and water vapor in the lower troposphere, as well as measurements of the concentration of various trace gases and microphysical and optical properties of clouds. We present some preliminary results from the AERI dataset from AWARE, including analysis of the downwelling radiation and cloud structure over the annual cycle.

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.

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

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

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.

Uranus' cloud structure and scattering particle properties from IRTF SpeX observations

NASA Astrophysics Data System (ADS)

Tice, D. S.; Irwin, P. G. J.; Fletcher, L. N.; Teanby, N. A.; Orton, G. S.; Davis, G. R.

2011-10-01

Observations of Uranus were made in August 2009 with the SpeX spectrograph at the NASA Infrared Telescope Facility (IRTF). Analysed spectra range from 0.8 to 1.8 μm at a spatial resolution of 0.5" and a spectral resolution of R = 1,200. Spectra from 0.818 to 0.834 μm, a region characterised by both strong hydrogen quadrupole and methane absorptions are considered to determine methane content. Evidence indicates that methane abundance varies with latitude. NEMESIS, an optimal estimation retrieval code with full-scattering capability, is employed to analyse the full range of data. Cloud and haze properties in the upper troposphere and stratosphere are characterised, and are consistent with other current literature. New information on single scattering albedos and particle size distributions are inferred.

Cellulose nanomaterials review: structure, properties and nanocomposites

Treesearch

Robert J. Moon; Ashlie Martini; John Nairn; John Simonsen; Jeff Youngblood

2011-01-01

This critical review provides a processing-structure-property perspective on recent advances in cellulose nanoparticles and composites produced from them. It summarizes cellulose nanoparticles in terms of particle morphology, crystal structure, and properties. Also described are the self-assembly and rheological properties of cellulose nanoparticle suspensions. The...

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.

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.

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.

Structure and Properties of Azobenzene Thin-Films

NASA Astrophysics Data System (ADS)

Allen, R. A.

1987-09-01

Available from UMI in association with The British Library. A number of monomer and polymer materials, all containing the azobenzene group, have been deposited as Langmuir-Blodgett (LB) multilayers and their structures and physical properties studied. LB films of two monomeric materials exhibited liquid crystal phase changes that were investigated by optical microscopy and X-ray diffraction. Multilayers built up from one of the materials exhibited a phase change upon aging and this demonstrated that the LB technique had produced a structure that was not the equilibrium state. A monomer material possessing a fluorocarbon chain was found to initially deposit as an LB film in a Z-type manner, but changed to Y-type deposition with increasing multilayer thickness. A correlation was observed between this behaviour and the surface potential changes that were brought about when deposition took place on an aluminium substrate. The feasibility of building up alternating multilayers of monomer and polymer materials was demonstrated. Combining these two classes of material in the same LB film may confer on it the mechanical durability of the polymers and the highly ordered structure and potentially interesting physical properties of the monomer. The structures developed here may prove to have high second harmonic generation capabilities. Polymer materials were built up into relatively thick Y-type LB multilayers and studied by X-ray diffraction. Only poorly defined layered structures were found. Polymer materials were also cast into thin films from the melt and from solution. One of the compounds developed a high degree of anisotropy in its structure after exposure to linearly polarised white light. A birefringence of up to Deltan = 0.21 was measured. In contrast, LB films formed from the same material could not be ordered in the same manner and this appeared to result from the very close packing that takes place in such structures.

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

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.

Modeling adsorption properties of structurally deformed metal–organic frameworks using structure–property map

PubMed Central

Lim, Dae-Woon; Kim, Sungjune; Harale, Aadesh; Yoon, Minyoung; Suh, Myunghyun Paik; Kim, Jihan

2017-01-01

Structural deformation and collapse in metal-organic frameworks (MOFs) can lead to loss of long-range order, making it a challenge to model these amorphous materials using conventional computational methods. In this work, we show that a structure–property map consisting of simulated data for crystalline MOFs can be used to indirectly obtain adsorption properties of structurally deformed MOFs. The structure–property map (with dimensions such as Henry coefficient, heat of adsorption, and pore volume) was constructed using a large data set of over 12000 crystalline MOFs from molecular simulations. By mapping the experimental data points of deformed SNU-200, MOF-5, and Ni-MOF-74 onto this structure–property map, we show that the experimentally deformed MOFs share similar adsorption properties with their nearest neighbor crystalline structures. Once the nearest neighbor crystalline MOFs for a deformed MOF are selected from a structure–property map at a specific condition, then the adsorption properties of these MOFs can be successfully transformed onto the degraded MOFs, leading to a new way to obtain properties of materials whose structural information is lost. PMID:28696307

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.

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

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-property study of keto-ether polyimides

NASA Technical Reports Server (NTRS)

Dezern, James F.; Croall, Catharine I.

1991-01-01

As part of an on-going effort to develop an understanding of how changes in the chemical structure affect polymer properties, an empirical study was performed on polyimides containing only ether and/or carbonyl connecting groups in the polymer backbone. During the past two decades the structure-property relationships in linear aromatic polyimides have been extensively investigated. More recently, work has been performed to study the effect of isomeric attachment of keto-ether polyimides on properties such as glass transition temperature and solubility. However, little work has been reported on the relation of polyimide structure to mechanical properties. The purpose of this study was to determine the effect of structural changes in the backbone of keto-ether polyimides on their mechanical properties, specifically, unoriented thin film tensile properties. This study was conducted in two stages. The purpose of the initial stage was to examine the physical and mechanical properties of a representative group (four) of polyimide systems to determine the optimum solvent and cure cycle requirements. These optimum conditions were then utilized in the second stage to prepare films of keto-ether polyimides which were evaluated for mechanical and physical properties. All of the polyimides were prepared using isomers of oxydianiline (ODA) and diaminobenzophenone (DABP) in combination with 3,3',4,4'-benzophenonetetracarboxylic dianhydride (BTDA) and 4,4'-oxydiphthalic anhydride (ODPA).

RaptorX-Property: a web server for protein structure property prediction.

PubMed

Wang, Sheng; Li, Wei; Liu, Shiwang; Xu, Jinbo

2016-07-08

RaptorX Property (http://raptorx2.uchicago.edu/StructurePropertyPred/predict/) is a web server predicting structure property of a protein sequence without using any templates. It outperforms other servers, especially for proteins without close homologs in PDB or with very sparse sequence profile (i.e. carries little evolutionary information). This server employs a powerful in-house deep learning model DeepCNF (Deep Convolutional Neural Fields) to predict secondary structure (SS), solvent accessibility (ACC) and disorder regions (DISO). DeepCNF not only models complex sequence-structure relationship by a deep hierarchical architecture, but also interdependency between adjacent property labels. Our experimental results show that, tested on CASP10, CASP11 and the other benchmarks, this server can obtain ∼84% Q3 accuracy for 3-state SS, ∼72% Q8 accuracy for 8-state SS, ∼66% Q3 accuracy for 3-state solvent accessibility, and ∼0.89 area under the ROC curve (AUC) for disorder prediction. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

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.

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

Mechanical properties of amyloid-like fibrils defined by secondary structures

NASA Astrophysics Data System (ADS)

Bortolini, C.; Jones, N. C.; Hoffmann, S. V.; Wang, C.; Besenbacher, F.; Dong, M.

2015-04-01

Amyloid and amyloid-like fibrils represent a generic class of highly ordered nanostructures that are implicated in some of the most fatal neurodegenerative diseases. On the other hand, amyloids, by possessing outstanding mechanical robustness, have also been successfully employed as functional biomaterials. For these reasons, physical and chemical factors driving fibril self-assembly and morphology are extensively studied - among these parameters, the secondary structures and the pH have been revealed to be crucial, since a variation in pH changes the fibril morphology and net chirality during protein aggregation. It is important to quantify the mechanical properties of these fibrils in order to help the design of effective strategies for treating diseases related to the presence of amyloid fibrils. In this work, we show that by changing pH the mechanical properties of amyloid-like fibrils vary as well. In particular, we reveal that these mechanical properties are strongly related to the content of secondary structures. We analysed and estimated the Young's modulus (E) by comparing the persistence length (Lp) - measured from the observation of TEM images by using statistical mechanics arguments - with the mechanical information provided by peak force quantitative nanomechanical property mapping (PF-QNM). The secondary structure content and the chirality are investigated by means of synchrotron radiation circular dichroism (SR-CD). Results arising from this study could be fruitfully used as a protocol to investigate other medical or engineering relevant peptide fibrils.Amyloid and amyloid-like fibrils represent a generic class of highly ordered nanostructures that are implicated in some of the most fatal neurodegenerative diseases. On the other hand, amyloids, by possessing outstanding mechanical robustness, have also been successfully employed as functional biomaterials. For these reasons, physical and chemical factors driving fibril self-assembly and morphology

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.

Ground-based observation of aerosol optical properties in Lanzhou, China.

PubMed

Yu, Xingna; Zhu, Bin; Fan, Shuxian; Yin, Yan; Bu, Xiaoli

2009-01-01

Aerosol optical properties from August 2006 to July 2007 were obtained from ground-based and sky radiance measurements in Semi-Arid Climate and Environment Observatory of Lanzhou University (SACOL), China. High aerosol optical thickness (AOT) associated with low Angström exponent (alpha) was mainly observed in spring, which was consistent with the seasonal dust production from Hexi Corridor. The maximum monthly average value of AOT 0.56 occurred in March of 2007, which was two times larger than the minimum value of 0.28 in October of 2006. Approximately 60% of the AOT ranged between 0.3 and 0.5, and nearly 93% of alpha value varied from 0.1 to 0.8, which occurred in spring. The significant correlation between aerosol properties and water vapor content was not observed. The aerosol volume size distribution can be characterized by the bimodal logarithm normal structure: fine mode (r < 0.6 microm) and coarse mode (r > 0.6 microm). Aerosols in spring of SACOL were dominated by large particles with the volume concentration ratio of coarse to fine modes being 7.85. The average values of asymmetry factor (g) in the wavelength range 440-1020 nm were found to be 0.71, 0.67, 0.67 and 0.69 in spring, summer, autumn and winter, respectively.

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;…

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 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.

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.

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.

Structure Defect Property Relationships in Binary Intermetallics

NASA Astrophysics Data System (ADS)

Medasani, Bharat; Ding, Hong; Chen, Wei; Persson, Kristin; Canning, Andrew; Haranczyk, Maciej; Asta, Mark

2015-03-01

Ordered intermetallics are light weight materials with technologically useful high temperature properties such as creep resistance. Knowledge of constitutional and thermal defects is required to understand these properties. Vacancies and antisites are the dominant defects in the intermetallics and their concentrations and formation enthalpies could be computed by using first principles density functional theory and thermodynamic formalisms such as dilute solution method. Previously many properties of the intermetallics such as melting temperatures and formation enthalpies were statistically analyzed for large number of intermetallics using structure maps and data mining approaches. We undertook a similar exercise to establish the dependence of the defect properties in binary intermetallics on the underlying structural and chemical composition. For more than 200 binary intermetallics comprising of AB, AB2 and AB3 structures, we computed the concentrations and formation enthalpies of vacancies and antisites in a small range of stoichiometries deviating from ideal stoichiometry. The calculated defect properties were datamined to gain predictive capabilities of defect properties as well as to classify the intermetallics for their suitability in high-T applications. Supported by the US DOE under Contract No. DEAC02-05CH11231 under the Materials Project Center grant (Award No. EDCBEE).

Finite Element Estimation of Meteorite Structural Properties

NASA Technical Reports Server (NTRS)

Hart, Kenneth Arthur

2015-01-01

The goal of the project titled Asteroid Threat Assessment at NASA Ames Research Center is to develop risk assessment tools. The expertise in atmospheric entry in the Entry Systems and Technology Division is being used to describe the complex physics of meteor breakup in the atmosphere. The breakup of a meteor is dependent on its structural properties, including homogeneity of the material. The present work describes an 11-week effort in which a literature survey was carried for structural properties of meteoritic material. In addition, the effect of scale on homogeneity isotropy was studied using a Monte Carlo approach in Nastran. The properties were then in a static structural response simulation of an irregularly-shape meteor (138-scale version of Asteroid Itokawa). Finally, an early plan was developed for doctoral research work at Georgia Tech. in the structural failure fragmentation of meteors.

Radio and submillimetre observations of wind structure in zeta Puppis

NASA Astrophysics Data System (ADS)

Blomme, R.; van de Steene, G. C.; Prinja, R. K.; Runacres, M. C.; Clark, J. S.

2003-09-01

We present radio and submillimetre observations of the O4I(n)f star zeta Pup, and discuss structure in the outer region of its wind ( ~ 10-100 R_*). The properties of bremsstrahlung, the dominant emission process at these wavelengths, make it sensitive to structure and allow us to study how the amount of structure changes in the wind by comparing the fluxes at different wavelengths. Possible forms of structure at these distances include Corotating Interaction Regions (CIRs), stochastic clumping, a disk or a polar enhancement. As the CIRs are azimuthally asymmetric, they should result in variability at submillimetre or radio wavelengths. To look for this variability, we acquired 3.6 and 6 cm observations with the Australia Telescope Compact Array (ATCA), covering about two rotational periods of the star. We supplemented these with archive observations from the NRAO Very Large Array (VLA), which cover a much longer time scale. We did not find variability at more than the +/-20% level. The long integration time does allow an accurate determination of the fluxes at 3.6 and 6 cm. Converting these fluxes into a mass loss rate, we find dot {M} = 3.5 x 10-6 Msun/yr. This value confirms the significant discrepancy with the mass loss rate derived from the Hα profile, making zeta Pup an exception to the usually good agreement between the Hα and radio mass loss rates. To study the run of structure as a function of distance, we supplemented the ATCA data by observing zeta Pup at 850 mu m with the James Clerk Maxwell Telescope (JCMT) and at 20 cm with the VLA. A smooth wind model shows that the millimetre fluxes are too high compared to the radio fluxes. While recombination of helium in the outer wind cannot be discounted as an explanation, the wealth of evidence for structure strongly suggests this as the explanation for the discrepancy. Model calculations show that the structure needs to be present in the inner ~ 70 R_* of the wind, but that it decays significantly, or maybe

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.

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.

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.

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.

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.

Predicting structural properties of fluids by thermodynamic extrapolation

NASA Astrophysics Data System (ADS)

Mahynski, Nathan A.; Jiao, Sally; Hatch, Harold W.; Blanco, Marco A.; Shen, Vincent K.

2018-05-01

We describe a methodology for extrapolating the structural properties of multicomponent fluids from one thermodynamic state to another. These properties generally include features of a system that may be computed from an individual configuration such as radial distribution functions, cluster size distributions, or a polymer's radius of gyration. This approach is based on the principle of using fluctuations in a system's extensive thermodynamic variables, such as energy, to construct an appropriate Taylor series expansion for these structural properties in terms of intensive conjugate variables, such as temperature. Thus, one may extrapolate these properties from one state to another when the series is truncated to some finite order. We demonstrate this extrapolation for simple and coarse-grained fluids in both the canonical and grand canonical ensembles, in terms of both temperatures and the chemical potentials of different components. The results show that this method is able to reasonably approximate structural properties of such fluids over a broad range of conditions. Consequently, this methodology may be employed to increase the computational efficiency of molecular simulations used to measure the structural properties of certain fluid systems, especially those used in high-throughput or data-driven investigations.

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 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).

Observability of characteristic binary-induced structures in circumbinary disks

NASA Astrophysics Data System (ADS)

Avramenko, R.; Wolf, S.; Illenseer, T. F.

2017-07-01

Context. A substantial fraction of protoplanetary disks form around stellar binaries. The binary system generates a time-dependent non-axisymmetric gravitational potential, inducing strong tidal forces on the circumbinary disk. This leads to a change in basic physical properties of the circumbinary disk, which should in turn result in unique structures that are potentially observable with the current generation of instruments. Aims: The goal of this study is to identify these characteristic structures, constrain the physical conditions that cause them, and evaluate the feasibility of observing them in circumbinary disks. Methods: To achieve this, first we perform 2D hydrodynamic simulations. The resulting density distributions are post-processed with a 3D radiative transfer code to generate re-emission and scattered light maps. Based on these distributions, we study the influence of various parameters, such as the mass of the stellar components, mass of the disk, and binary separation on observable features in circumbinary disks. Results: We find that the Atacama Large (sub-)Millimetre Array (ALMA) as well as the European Extremely Large Telescope (E-ELT) are capable of tracing asymmetries in the inner region of circumbinary disks, which are affected most by the binary-disk interaction. Observations at submillimetre/millimetre wavelengths allow the detection of the density waves at the inner rim of the disk and inner cavity. With the E-ELT one can partially resolve the innermost parts of the disk in the infrared wavelength range, including the disk's rim, accretion arms, and potentially the expected circumstellar disks around each of the binary components.

Relaxation mechanisms, structure and properties of semi-coherent interfaces

DOE PAGES

Shao, Shuai; Wang, Jian

2015-10-15

In this work, using the Cu–Ni (111) semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE) profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes). This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes.more » The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes’ structural transformation. Several node structures have been observed and analyzed. In conclusion, the various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.« less

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.

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.

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

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 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.

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

Size-dependent characterization of embedded Ge nanocrystals: Structural and thermal properties

NASA Astrophysics Data System (ADS)

Araujo, L. L.; Giulian, R.; Sprouster, D. J.; Schnohr, C. S.; Llewellyn, D. J.; Kluth, P.; Cookson, D. J.; Foran, G. J.; Ridgway, M. C.

2008-09-01

A combination of conventional and synchrotron-based techniques has been used to characterize the size-dependent structural and thermal properties of Ge nanocrystals (NCs) embedded in a silica (a-SiO2) matrix. Ge NC size distributions with four different diameters ranging from 4.0 to 9.0 nm were produced by ion implantation and thermal annealing as characterized with small-angle x-ray scattering and transmission electron microscopy. The NCs were well represented by the superposition of bulklike crystalline and amorphous environments, suggesting the formation of an amorphous layer separating the crystalline NC core and the a-SiO2 matrix. The amorphous fraction was quantified with x-ray-absorption near-edge spectroscopy and increased as the NC diameter decreased, consistent with the increase in surface-to-volume ratio. The structural parameters of the first three nearest-neighbor shells were determined with extended x-ray-absorption fine-structure (EXAFS) spectroscopy and evolved linearly with inverse NC diameter. Specifically, increases in total disorder, interatomic distance, and the asymmetry in the distribution of distances were observed as the NC size decreased, demonstrating that finite-size effects govern the structural properties of embedded Ge NCs. Temperature-dependent EXAFS measurements in the range of 15-300 K were employed to probe the mean vibrational frequency and the variation of the interatomic distance distribution (mean value, variance, and asymmetry) with temperature for all NC distributions. A clear trend of increased stiffness (higher vibrational frequency) and decreased thermal expansion with decreasing NC size was evident, confirming the close relationship between the variation of structural and thermal/vibrational properties with size for embedded Ge NCs. The increase in surface-to-volume ratio and the presence of an amorphous Ge layer separating the matrix and crystalline NC core are identified as the main factors responsible for the observed

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.

Magnetopause structure from satellite observations

NASA Technical Reports Server (NTRS)

Sonnerup, B. U. O.

1979-01-01

Observations on magnetopause structure are reported. Major topics covered include: classical reconnection, transport mechanisms, magnetospheric boundary layers, tearing modes, and Jupiter's magnetopause.

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.

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.

Is Structured Observation a Valid Technique to Measure Handwashing Behavior? Use of Acceleration Sensors Embedded in Soap to Assess Reactivity to Structured Observation

PubMed Central

Ram, Pavani K.; Halder, Amal K.; Granger, Stewart P.; Jones, Therese; Hall, Peter; Hitchcock, David; Wright, Richard; Nygren, Benjamin; Islam, M. Sirajul; Molyneaux, John W.; Luby, Stephen P.

2010-01-01

Structured observation is often used to evaluate handwashing behavior. We assessed reactivity to structured observation in rural Bangladesh by distributing soap containing acceleration sensors and performing structured observation 4 days later. Sensors recorded the number of times soap was moved. In 45 participating households, the median number of sensor soap movements during the 5-hour time block on pre-observation days was 3.7 (range 0.3–10.6). During the structured observation, the median number of sensor soap movements was 5.0 (range 0–18.0), a 35% increase, P = 0.0004. Compared with the same 5-hour time block on pre-observation days, the number of sensor soap movements increased during structured observation by ≥ 20% in 62% of households, and by ≥ 100% in 22% of households. The increase in sensor soap movements during structured observation, compared with pre-observation days, indicates substantial reactivity to the presence of the observer. These findings call into question the validity of structured observation for measurement of handwashing behavior. PMID:21036840

Is structured observation a valid technique to measure handwashing behavior? Use of acceleration sensors embedded in soap to assess reactivity to structured observation.

PubMed

Ram, Pavani K; Halder, Amal K; Granger, Stewart P; Jones, Therese; Hall, Peter; Hitchcock, David; Wright, Richard; Nygren, Benjamin; Islam, M Sirajul; Molyneaux, John W; Luby, Stephen P

2010-11-01

Structured observation is often used to evaluate handwashing behavior. We assessed reactivity to structured observation in rural Bangladesh by distributing soap containing acceleration sensors and performing structured observation 4 days later. Sensors recorded the number of times soap was moved. In 45 participating households, the median number of sensor soap movements during the 5-hour time block on pre-observation days was 3.7 (range 0.3-10.6). During the structured observation, the median number of sensor soap movements was 5.0 (range 0-18.0), a 35% increase, P = 0.0004. Compared with the same 5-hour time block on pre-observation days, the number of sensor soap movements increased during structured observation by ≥ 20% in 62% of households, and by ≥ 100% in 22% of households. The increase in sensor soap movements during structured observation, compared with pre-observation days, indicates substantial reactivity to the presence of the observer. These findings call into question the validity of structured observation for measurement of handwashing behavior.

Nuclear ``pasta'' structures in low-density nuclear matter and properties of the neutron-star crust

NASA Astrophysics Data System (ADS)

Okamoto, Minoru; Maruyama, Toshiki; Yabana, Kazuhiro; Tatsumi, Toshitaka

2013-08-01

In the neutron-star crust, nonuniform structure of nuclear matter—called the “pasta” structure—is expected. From recent studies of giant flares in magnetars, these structures might be related to some observables and physical quantities of the neutron-star crust. To investigate the above quantities, we numerically explore the pasta structure with a fully three-dimensional geometry and study the properties of low-density nuclear matter, based on the relativistic mean-field model and the Thomas-Fermi approximation. We observe typical pasta structures for fixed proton number fraction and two of them for cold catalyzed matter. We also discuss the crystalline configuration of “pasta.”

Evolution of structural and transport properties in Y-doped double perovskite Sr2FeIrO6

NASA Astrophysics Data System (ADS)

Kharkwal, K. C.; Pramanik, A. K.

2018-05-01

The structural and transport properties of Yttrium doped double perovskite Sr2FeIrO6 have been investigated. Structural properties have been investigated by means of x-ray diffraction measurement and Rietveld analysis. Structural transition has not been observed although lattice parameters evolve with the Yttrium doping. All samples have been found to be insulating over the whole temperature range where the resistivity increases with doping. This increase in resistivity with doping may be due to the change in charge state of transition metal.

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.

Structural Fluctuation and Thermophysical Properties of Molten II-VI Compounds

NASA Technical Reports Server (NTRS)

2003-01-01

The objectives of the project is to conduct ground-based experimental and theoretical research on the structural fluctuations and thermophysical properties of molten II-VI compounds to enhance the basic understanding of the existing flight experiments in microgravity materials science programs and to study the fundamental heterophase fluctuations phenomena in these melts by: 1) Conducting neutron scattering analysis and measuring quantitatively the relevant thermophysical properties of the II-VI melts such as viscosity, electrical conductivity, thermal diffusivity and density as well as the relaxation characteristics of these properties to advance the understanding of the structural properties and the relaxation phenomena in these melts and 2) Performing theoretical analyses on the melt systems to interpret the experimental results. All the facilities required for the experimental measurements have been procured, installed and tested. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. An apparatus based on the transient torque induced by a rotating magnetic field has been developed to determine the viscosity and electrical conductivity of semiconducting liquids. Viscosity measurements on molten tellurium showed similar relaxation behavior as the measured diffusivity. Neutron scattering experiments were performed on the HgTe and HgZnTe melts and the results on pair distribution showed better resolution than previous reported.

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

Effect of group walking traffic on dynamic properties of pedestrian structures

NASA Astrophysics Data System (ADS)

Shahabpoor, E.; Pavic, A.; Racic, V.; Zivanovic, S.

2017-01-01

lower when the same people were standing still. The damping ratio of the joint human-structure system was considerably higher than that of the empty structure for both the walking and standing people - in agreement with previous reports for stationary people - and was more prominent for larger groups. Interestingly, it was found that the walking human-structure system has more damping compared with the equivalent standing human-structure system. The properties of a single degree of freedom mass-spring-damper system representing a moving crowd needed to replicate these observations have been identified.

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

Observation of steric hindrance effect controlling crystal packing structures and physical properties in three new isomeric nitronyl nitroxide radicals

NASA Astrophysics Data System (ADS)

Zhao, Hai-Rong; Sun, Jia-Sen; Sui, Yun-Xia; Ren, Xiao-Ming; Yao, Bin-Qian; Shen, Lin-Jiang; Meng, Qing-Jin

2009-07-01

Three isomeric nitronyl nitroxide radical compounds, 2-[ n-( N-benzyl)pyridinium]-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide bromide ( n = 2, 3 and 4 for 1, 2 and 3, respectively), have been synthesized and structurally characterized. The influence of steric hindrance on the molecular packing structures and physical properties has been observed. In the radical 1, such steric hindrance leads to a folding conformation of the imidazoline and benzene rings and the intramolecular C-H…π interaction between the methyl group and the benzene ring. There is no such effect in 2 and 3. In crystal of 2, there are the intermolecular C-H…π between methyl groups and benzene ring and intermolecular π…π stacking interaction between pyridine and benzene rings. Crystal of 2 with a chiral space group P2 12 12 1 shows the SHG response about 0.4 times as that of urea. In crystal of 3, there are three symmetry-independent radical molecules, which form an unusually six-membered supramolecular ring via intermolecular O…π interactions. For the solid sample of 3, the X-band EPR exhibits an axially symmetric signal and magnetic susceptibility data suggest intermolecular antiferromagnetic (AFM) coupling interactions and very weak intermolecular ferromagnetic (FM) coupling interactions which is more likely caused by magnetic anisotropy, while measurements of both 1 and 2 show isotropic X-band EPR signals and simple Currie-Weiss magnetic behavior.

On the vibration properties of composite materials and structures

NASA Astrophysics Data System (ADS)

Lu, Y. P.; Neilson, H. C.; Roscoe, A. J.

1993-01-01

In recent years, there has been a widespread assumption that composite materials and structures offer enhanced vibration and acoustic properties. This assumption has to be evaluated or validated. The objective of this article is to address the subject of vibration characteristics and the related force transmissibility properties of composite structures. For a given composite beam made of Hercules AS4/3501-6 graphite/epoxy with a layered structure sequence of (0,0,30,-30)(sub 6S), resonance frequencies, structural damping, responses, impedances, and force transmissibility properties are determined, discussed, and compared with those of a steel beam. This article proposes a procedure to evaluate the vibration properties of individual composites. The criterion defined for performance comparison between composite materials and conventional materials is also discussed.

Effect of processing on Polymer/Composite structure and properties

NASA Technical Reports Server (NTRS)

1982-01-01

Advances in the vitality and economic health of the field of polymer forecasting are discussed. A consistent and rational point of view which considers processing as a participant in the underlying triad of relationships which comprise materials science and engineering is outlined. This triad includes processing as it influences material structure, and ultimately properties. Methods in processing structure properties, polymer science and engineering, polymer chemistry and synthesis, structure and modification and optimization through processing, and methods of melt flow modeling in processing structure property relations of polymer were developed. Mechanical properties of composites are considered, and biomedical materials research to include polymer processing effects are studied. An analysis of the design technology of advances graphite/epoxy composites is also reported.

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.

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.

Composition-dependent structural and transport properties of amorphous transparent conducting oxides

NASA Astrophysics Data System (ADS)

Khanal, Rabi; Buchholz, D. Bruce; Chang, Robert P. H.; Medvedeva, Julia E.

2015-05-01

Structural properties of amorphous In-based oxides, In -X -O with X =Zn , Ga, Sn, or Ge, are investigated using ab initio molecular dynamics liquid-quench simulations. The results reveal that indium retains its average coordination of 5.0 upon 20% X fractional substitution for In, whereas X cations satisfy their natural coordination with oxygen atoms. This finding suggests that the carrier generation is primarily governed by In atoms, in accord with the observed carrier concentration in amorphous In-O and In -X -O . At the same time, the presence of X affects the number of six-coordinated In atoms as well as the oxygen sharing between the InO6 polyhedra. Based on the obtained interconnectivity and spatial distribution of the InO6 and XO x polyhedra in amorphous In -X -O , composition-dependent structural models of the amorphous oxides are derived. The results help explain our Hall mobility measurements in In -X -O thin films grown by pulsed-laser deposition and highlight the importance of long-range structural correlations in the formation of amorphous oxides and their transport properties.

DFT calculations on spectroscopic and structural properties of a NLO chromophore

NASA Astrophysics Data System (ADS)

Altürk, Sümeyye; Avci, Davut; Tamer, Ömer; Atalay, Yusuf

2016-03-01

The molecular geometry optimization, vibrational frequencies and gauge including atomic orbital (GIAO) 1H and 13C NMR chemical shift values of 2-(1'-(4'''-Methoxyphenyl)-5'-(thien-2″-yl)pyrrol-2'-yl)-1,3-benzothiazole as potential nonlinear optical (NLO) material were calculated using density functional theory (DFT) HSEh1PBE method with 6-311G(d,p) basis set. The best of our knowledge, this study have not been reported to date. Additionally, a detailed vibrational study was performed on the basis of potential energy distribution (PED) using VEDA program. It is noteworthy that NMR chemical shifts are quite useful for understanding the relationship between the molecular structure and electronic properties of molecules. The computed IR and NMR spectra were used to determine the types of the experimental bands observed. Predicted values of structural and spectroscopic parameters of the chromophore were compared with each other so as to display the effects of the different substituents on the spectroscopic and structural properties. Obtained data showed that there is an agreement between the predicted and experimental data.

Hierarchical structure and mechanical properties of remineralized dentin.

PubMed

Chen, Yi; Wang, Jianming; Sun, Jian; Mao, Caiyun; Wang, Wei; Pan, Haihua; Tang, Ruikang; Gu, Xinhua

2014-12-01

It is widely accepted that the mechanical properties of dentin are significantly determined by its hierarchical structure. The current correlation between the mechanical properties and the hierarchical structure was mainly established by studying altered forms of dentin, which limits the potential outcome of the research. In this study, dentins with three different hierarchical structures were obtained via two different remineralization procedures and at different remineralization stages: (1) a dentin structure with amorphous minerals incorporated into the collagen fibrils, (2) a dentin with crystallized nanominerals incorporated into the collagen fibrils, and (3) a dentin with an out-of-order mineral layer filling the collagen fibrils matrix. Nanoindentation tests were performed to investigate the mechanical behavior of the remineralized dentin slides. The results showed that the incorporation of the crystallized nanominerals into the acid-etched demineralized organic fibrils resulted in a remarkable improvement of the mechanical properties of the dentin. In contrast, for the other two structures, i.e. the amorphous minerals inside the collagen fibrils and the out-of-order mineral layer within the collagen fibrils matrix, the excellent mechanical properties of dentin could not be restored. Copyright © 2014 Elsevier Ltd. All rights reserved.

Amylopectin molecular structure in relation to physicochemical properties of quinoa starch.

PubMed

Li, Guantian; Zhu, Fan

2017-05-15

Structure-function relationships of starch components remain a subject of research interest. Quinoa starch has very small granules (∼2μm) with unique properties. In this study, nine quinoa starches varied greatly in composition, structure, and physicochemical properties were selected for the analysis of structure-function relationships. Pearson correlation analysis revealed that the properties related to gelatinization such as swelling power, water solubility index, crystallinity, pasting, and thermal properties are much affected by the amylopectin chain profile and amylose content. The parameters of gel texture and amylose leaching are much related to amylopectin internal structure. Other properties such as enzyme susceptibility and particle size distribution are also strongly correlated with starch composition and amylopectin structure. Interesting findings indicate the importance of amylopectin internal structure and individual unit chain profile in determining the physicochemical properties of starch. This work highlights some relationships among composition, amylopectin structure and physicochemical properties of quinoa starch. Copyright © 2017 Elsevier Ltd. All rights reserved.

Some Mineral Physics Observations Pertinent to the Rheological Properties of Super-Earths

NASA Astrophysics Data System (ADS)

Karato, S.

2010-12-01

Both orbital and thermal evolution of recently discovered super-Earths (terrestrial planets whit mass exceeding that of Earth) depends critically on the rheological properties of their mantle. Although direct experimental studies on rheological properties are unavailable under the conditions equivalent to the deep mantles of these planets (~1 TPa and ~5000 K), a review of key materials science observations suggests that the deep mantle of these planets have much lower viscosity than most of the shallower regions of these planets. The key observations are: (i) phase transformations likely occur under these conditions including the B1 to B2 transition in MgO (1) and the dissociation of MgSiO3 into two oxides (MgO and SiO2) (2), (ii) the systematics in high-temperature creep show that materials with NaCl (B1) structures have much smaller viscosity than other oxides compared at the same normalized conditions (3), and (iii) diffusion coefficients in most of materials have a minimum at certain pressure and above that pressure it increases with pressure (due to mechanism transition) (4). In addition, a review of existing studies also shows that the ionic solids with B2 (CsCl) structure have larger diffusion coefficients than their B1 counter parts. Furthermore, if metallization transition occurs in any of these materials, delocalized electrons will further weaken the material. All of these observations or concepts suggest that even though the viscosity of a planet (below the asthenosphere) increases with depth in the relatively shallow regions, viscosity likely starts to decrease with depth below some critical depth (>~2000 km). The inferred low viscosity of super-Earths implies a large tidal dissipation and relatively rapid orbital evolution. Also such a rheological properties likely promote a layered mantle convection that enhances a weak deep mantle and retards the thermal evolution. 1. A. R. Oganov, M. J. Gillan, G. D. Price, Journal of Chemical Physics 118, 10174

MASPROP- MASS PROPERTIES OF A RIGID STRUCTURE

NASA Technical Reports Server (NTRS)

Hull, R. A.

1994-01-01

The computer program MASPROP was developed to rapidly calculate the mass properties of complex rigid structural systems. This program's basic premise is that complex systems can be adequately described by a combination of basic elementary structural shapes. Thirteen widely used basic structural shapes are available in this program. They are as follows: Discrete Mass, Cylinder, Truncated Cone, Torus, Beam (arbitrary cross section), Circular Rod (arbitrary cross section), Spherical Segment, Sphere, Hemisphere, Parallelepiped, Swept Trapezoidal Panel, Symmetric Trapezoidal Panels, and a Curved Rectangular Panel. MASPROP provides a designer with a simple technique that requires minimal input to calculate the mass properties of a complex rigid structure and should be useful in any situation where one needs to calculate the center of gravity and moments of inertia of a complex structure. Rigid body analysis is used to calculate mass properties. Mass properties are calculated about component axes that have been rotated to be parallel to the system coordinate axes. Then the system center of gravity is calculated and the mass properties are transferred to axes through the system center of gravity by using the parallel axis theorem. System weight, moments of inertia about the system origin, and the products of inertia about the system center of mass are calculated and printed. From the information about the system center of mass the principal axes of the system and the moments of inertia about them are calculated and printed. The only input required is simple geometric data describing the size and location of each element and the respective material density or weight of each element. This program is written in FORTRAN for execution on a CDC 6000 series computer with a central memory requirement of approximately 62K (octal) of 60 bit words. The development of this program was completed in 1978.

Optical Properties of atmospheric dust from twilight observations

NASA Technical Reports Server (NTRS)

Divari, N. B.; Zaginayilo, Y. I.; Kovalchuk, L. V.

1973-01-01

Three methods of approximation are described and used to separate the primary twilight brightness from the observed brightness. Photoelectric observations obtained are combined with observations from a balloon and from the observatory to derive the atmospheric scattering phase functions of 0.37 micron and 0.58 micron as a function of height. Comparison of these data with data for a Rayleigh atmosphere provide information on the optical properties of dust in the upper atmosphere.

Determining the Mechanical Properties of Lattice Block Structures

NASA Technical Reports Server (NTRS)

Wilmoth, Nathan

2013-01-01

Lattice block structures and shape memory alloys possess several traits ideal for solving intriguing new engineering problems in industries such as aerospace, military, and transportation. Recent testing at the NASA Glenn Research Center has investigated the material properties of lattice block structures cast from a conventional aerospace titanium alloy as well as lattice block structures cast from nickel-titanium shape memory alloy. The lattice block structures for both materials were sectioned into smaller subelements for tension and compression testing. The results from the cast conventional titanium material showed that the expected mechanical properties were maintained. The shape memory alloy material was found to be extremely brittle from the casting process and only compression testing was completed. Future shape memory alloy lattice block structures will utilize an adjusted material composition that will provide a better quality casting. The testing effort resulted in baseline mechanical property data from the conventional titanium material for comparison to shape memory alloy materials once suitable castings are available.

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

About the optical properties of oxidized black silicon structures

NASA Astrophysics Data System (ADS)

Pincik, E.; Brunner, R.; Kobayashi, H.; Mikula, M.; Kučera, M.; Švec, P.; Greguš, J.; Vojtek, P.; Zábudlá, Z.; Imamura, K.; Zahoran, M.

2017-02-01

The paper deals with the optical and morphological properties of thermally oxidized black silicon (OBSi) nano-crystalline specimens produced by the surface structure chemical transfer method (SSCT). This method can produce a nano-crystalline Si black color layer on c-Si with a range of thickness of ∼50 nm to ∼300 nm by the contact of c-Si immersed in chemical solutions HF + H2O2 with a catalytic mesh. We present and discuss mainly the photoluminescence properties of both polished c-Si and OBSi structures, respectively. The similar photoluminescence (PL) behaviors recorded at liquid helium (6 K) and room temperatures on both polished crystalline Si and OBSi samples, respectively, indicate the similar origin of recorded luminescence light. As the positions of PL maxima of OBSi structures are mainly related to the size of Si nanocrystallites and SiO(x), we therefore suppose that the size of the dominant parts of the luminated OBSi nanostructure is pre-determined by the used polishing Si procedure, and/or the distribution function of the number of formed crystallites on their size is very similar. The blue shift of both PL spectra reaching almost value of 0.40 eV observed after the decrease of the sample temperature to 6 K we relate also with the change of the semiconductor band gap width.

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

Impact of Tropopause Structures on Deep Convective Transport Observed during MACPEX

NASA Astrophysics Data System (ADS)

Mullendore, G. L.; Bigelbach, B. C.; Christensen, L. E.; Maddox, E.; Pinkney, K.; Wagner, S.

2016-12-01

Deep convection is the most efficient method of transporting boundary layer mass to the upper troposphere and stratosphere (UTLS). The Mid-latitude Airborne Cirrus Properties Experiment (MACPEX) was conducted during April of 2011 over the central U.S. With a focus on cirrus clouds, the campaign flights often sampled large cirrus anvils downstream from deep convection and included an extensive observational suite of chemical measurements on a high altitude aircraft. As double-tropopause structures are a common feature in the central U.S. during the springtime, the MACPEX campaign provides a good opportunity to gather cases of deep convective transport in the context of both single and double tropopause structures. Sampling of chemical plumes well downstream from convection allows for sampling in relatively quiescent conditions and analysis of irreversible transport. The analysis presented includes multiple methods to assess air mass source and possible convective processing, including back trajectories and ratios of chemical concentrations. Although missions were flown downstream of deep convection, recent processing by convection does not seem likely in all cases that high altitude carbon monoxide plumes were observed. Additionally, the impact of single and double tropopause structures on deep convective transport is shown to be strongly dependent on high stability layers.

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.

Structure-property evolution during polymer crystallization

NASA Astrophysics Data System (ADS)

Arora, Deepak

The main theme of this research is to understand the structure-property evolution during crystallization of a semicrystalline thermoplastic polymer. A combination of techniques including rheology, small angle light scattering, differential scanning calorimetry and optical microscopy are applied to follow the mechanical and optical properties along with crystallinity and the morphology. Isothermal crystallization experiments on isotactic poly-1-butene at early stages of spherulite growth provide quantitative information about nucleation density, volume fraction of spherulites and their crystallinity, and the mechanism of connecting into a sample spanning structure. Optical microscopy near the fluid-to-solid transition suggests that the transition, as determined by time-resolved mechanical spectroscopy, is not caused by packing/jamming of spherulites but by the formation of a percolating network structure. The effect of strain, Weissenberg number (We ) and specific mechanical work (w) on rate of crystallization (nucleation followed by growth) and on growth of anisotropy was studied for shear-induced crystallization of isotactic poly-1-butene. The samples were sheared for a finite strain at the beginning of the experiment and then crystallized without further flow (Janeschitz-Kriegl protocol). Strain requirements to attain steady state/leveling off of the rate of crystallization were found to be much larger than the strain needed to achieve steady state of flow. The large strain and We>1 criteria were also observed for morphological transition from spherulitic growth to oriented growth. An apparatus for small angle light scattering (SALS) and light transmission measurements under shear was built and tested at the University of Massachusetts Amherst. As a new development, the polarization direction can be rotated by a liquid crystal polarization rotator (LCPR) with a short response time of 20 ms. The experiments were controlled and analyzed with a LabVIEW(TM) based

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.

Electrical properties of double layer dielectric structures for space technology

NASA Astrophysics Data System (ADS)

Lian, Anqing

1993-04-01

Polymeric films such as polyimide (PI) and polyethylene terephthalate (PET) are used in space technology as thermal blankets. Thin SiO2 and SiN coatings plasma deposited onto PI and PET surfaces were proposed to protect the blanket materials against the space environment. The electrical properties of this kind of dual layer dielectric structure were investigated to understand the mechanisms for suppressing charge accumulation and flashover. Bulk and surface electrical conductivities of thin single-layer PI and PET samples and of the dual layer SiO2 and SiN combinations with PI and PET were measured in a range of applied electrical fields. The capacitance voltage (CV) technique was used for analyzing charge transport and distribution in the structures. The electric current in the bulk of the SiO2/PI and SiN/PI samples was found to depend on the polarity of the electric field. Other samples did not exhibit any such polarity effect. The polarity dependence is attributed to charge trapping at the PI/plasma deposit interface. The CV characteristics of the Al-PI-SiO2-Si structure confirm that charges which can modify the local electric field can be trapped near the interface. A model is proposed to interpret the properties of the currents in dual layer structures. This model can semi-quantitatively explain all the observed results.

Elastic properties and short-range structural order in mixed network former glasses.

PubMed

Wang, Weimin; Christensen, Randilynn; Curtis, Brittany; Hynek, David; Keizer, Sydney; Wang, James; Feller, Steve; Martin, Steve W; Kieffer, John

2017-06-21

Elastic properties of alkali containing glasses are of great interest not only because they provide information about overall structural integrity but also they are related to other properties such as thermal conductivity and ion mobility. In this study, we investigate two mixed-network former glass systems, sodium borosilicate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)SiO 2 ] and sodium borogermanate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)GeO 2 ] glasses. By mixing network formers, the network topology can be changed while keeping the network modifier concentration constant, which allows for the effect of network structure on elastic properties to be analyzed over a wide parametric range. In addition to non-linear, non-additive mixed-glass former effects, maxima are observed in longitudinal, shear and Young's moduli with increasing atomic number density. By combining results from NMR spectroscopy and Brillouin light scattering with a newly developed statistical thermodynamic reaction equilibrium model, it is possible to determine the relative proportions of all network structural units. This new analysis reveals that the structural characteristic predominantly responsible for effective mechanical load transmission in these glasses is a high density of network cations coordinated by four or more bridging oxygens, as it provides for establishing a network of covalent bonds among these cations with connectivity in three dimensions.

Electrical, thermal, catalytic and magnetic properties of nano-structured materials and their applications

NASA Astrophysics Data System (ADS)

Liu, Zuwei

properties are briefly reviewed in Chapter One, including the concepts of ferro-magnetism, plasmonics, photocatalysis, thermal emission, and Raman spectra of carbon nanotubes. In Chapter Two, we focus on the magnetic properties of ferro-magnetic cobalt nanowires with high crystalline quality synthesized via a low voltage electro-deposition method. The crystal structure of these Co nanowires is characterized by high resolution transmission electron microscopy and X-ray diffraction. The magnetic properties of individual nanowires and nanowire arrays are investigated by magnetic force microscope (MFM) and superconducting quantum interference device (SQUID) measurements. A theoretical model is developed to explain these experimental observations. In Chapter Three, we exploit the strong plasmon resonance of gold nanoparticles. We also demonstrate a new method for patterning SERS (surface enhanced Raman spectroscopy) aggregates of gold nanoparticles by using a focused laser beam to optically trap the nanoparticles in a water suspension. Raman spectroscopy is used to estimate the temperature in the laser spot during the in-situ aggregation, by measuring the Raman peak of the hydroxyl bond of water. In Chapter Four, we demonstrate plasmonic enhancement of photocatalytic water splitting under visible illumination by integrating strongly plasmonic Au nanoparticles with strongly catalytic TiO2. Electromagnetic simulations indicate that the near-field optical enhancement increases the electron-hole pair generation rate at the surface of the TiO2, thus increasing the amount of photo-generated charge contributing to catalysis. Our results suggest that enhancement factors many times larger than this are possible if this mechanism can be optimized. In Chapter Five, we study the Raman spectra and thermal emission spectra of individual suspended carbon nanotubes induced by electrical heating. Semiconducting and metallic devices exhibit different spectra, based on their distinctive band

Spines of the porcupine fish: Structure, composition, and mechanical properties.

PubMed

Su, Frances Y; Bushong, Eric A; Deerinck, Thomas J; Seo, Kyungah; Herrera, Steven; Graeve, Olivia A; Kisailus, David; Lubarda, Vlado A; McKittrick, Joanna

2017-09-01

This paper explores the structure, composition, and mechanical properties of porcupine fish spines for the first time. The spine was found to be composed of nanocrystalline hydroxyapatite, protein (collagen), and water using X-ray diffraction, energy-dispersive X-ray spectroscopy, and thermogravimetric analysis. Microstructures have mineralized fibrillar sheets in the longitudinal direction and in a radial orientation in the transverse direction that were observed using light and electron microscopy. Based on the images, the hierarchical structure of the spine shows both concentric and radial reinforcement. Mechanical properties were obtained using cantilever beam and nanoindentation tests. A tapered cantilever beam model was developed and compared to that of a uniform cantilever beam. The tapered beam model showed that while the stresses experienced were similar to those of the uniform beam, the location of the maximum stress was near the distal region of the beam rather than at the base, which allows the porcupine fish to conserve energy and resources if the spine is fractured. Copyright © 2017 Elsevier Ltd. All rights reserved.

Extraordinary electronic properties in uncommon structure types

NASA Astrophysics Data System (ADS)

Ali, Mazhar Nawaz

In this thesis I present the results of explorations into several uncommon structure types. In Chapter 1 I go through the underlying idea of how we search for new compounds with exotic properties in solid state chemistry. The ideas of exploring uncommon structure types, building up from the simple to the complex, using chemical intuition and thinking by analogy are discussed. Also, the history and basic concepts of superconductivity, Dirac semimetals, and magnetoresistance are briefly reviewed. In chapter 2, the 1s-InTaS2 structural family is introduced along with the discovery of a new member of the family, Ag0:79VS2; the synthesis, structure, and physical properties of two different polymorphs of the material are detailed. Also in this chapter, we report the observation of superconductivity in another 1s structure, PbTaSe2. This material is especially interesting due to it being very heavy (resulting in very strong spin orbit coulping (SOC)), layered, and noncentrosymmetric. Electronic structure calculations reveal the presence of a bulk 3D Dirac cone (very similar to graphene) that is gapped by SOC originating from the hexagonal Pb layer. In Chapter 3 we show the re-investigation of the crystal structure of the 3D Dirac semimetal, Cd3As2. It is found to be centrosymmetric, rather than noncentrosymmetric, and as such all bands are spin degenerate and there is a 4-fold degenerate bulk Dirac point at the Fermi level, making Cd3As2 a 3D electronic analog to graphene. Also, for the first time, scanning tunneling microscopy experiments identify a 2x2 surface reconstruction in what we identify as the (112) cleavage plane of single crystals; needle crystals grow with a [110] long axis direction. Lastly, in chapter 4 we report the discovery of "titanic" (sadly dubbed ⪉rge, nonsaturating" by Nature editors and given the acronym XMR) magnetoresistance (MR) in the non-magnetic, noncentrosymmetric, layered transition metal dichalcogenide WTe2; over 13 million% at 0.53 K in

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.

The effects of elevated temperatures on the structural properties of fiber composite materials suitable for use in space shuttle and other space vehicles

NASA Technical Reports Server (NTRS)

Wright, M. A.

1972-01-01

The effects of high temperatures on the structural properties of fiber composite materials for use in spacecraft structures are investigated. Various mechanical properties of boron reinforced aluminum alloys were measured. It was observed that cycling these materials through temperatures that varied from room temperature to 425 C could seriously degrade the properties. The extent of the observed effects depended on alloy type and the maximum cyclic temperature used. Results are discussed in terms of upper and lower strength bonds calculated from the strengths of individual fibers.

Fibrin Formation, Structure and Properties

PubMed Central

Weisel, John W.; Litvinov, Rustem I.

2017-01-01

Fibrinogen and fibrin are essential for hemostasis and are major factors in thrombosis, wound healing, and several other biological functions and pathological conditions. The X-ray crystallographic structure of major parts of fibrin(ogen), together with computational reconstructions of missing portions and numerous biochemical and biophysical studies, have provided a wealth of data to interpret molecular mechanisms of fibrin formation, its organization, and properties. On cleavage of fibrinopeptides by thrombin, fibrinogen is converted to fibrin monomers, which interact via knobs exposed by fibrinopeptide removal in the central region, with holes always exposed at the ends of the molecules. The resulting half-staggered, double-stranded oligomers lengthen into protofibrils, which aggregate laterally to make fibers, which then branch to yield a three-dimensional network. Much is now known about the structural origins of clot mechanical properties, including changes in fiber orientation, stretching and buckling, and forced unfolding of molecular domains. Studies of congenital fibrinogen variants and post-translational modifications have increased our understanding of the structure and functions of fibrin(ogen). The fibrinolytic system, with the zymogen plasminogen binding to fibrin together with tissue-type plasminogen activator to promote activation to the active proteolytic enzyme, plasmin, results in digestion of fibrin at specific lysine residues. In spite of a great increase in our knowledge of all these interconnected processes, much about the molecular mechanisms of the biological functions of fibrin(ogen) remains unknown, including some basic aspects of clotting, fibrinolysis, and molecular origins of fibrin mechanical properties. Even less is known concerning more complex (patho)physiological implications of fibrinogen and fibrin. PMID:28101869

Diamond nanowires: fabrication, structure, properties, and applications.

PubMed

Yu, Yuan; Wu, Liangzhuan; Zhi, Jinfang

2014-12-22

C(sp(3) )C-bonded diamond nanowires are wide band gap semiconductors that exhibit a combination of superior properties such as negative electron affinity, chemical inertness, high Young's modulus, the highest hardness, and room-temperature thermal conductivity. The creation of 1D diamond nanowires with their giant surface-to-volume ratio enhancements makes it possible to control and enhance the fundamental properties of diamond. Although theoretical comparisons with carbon nanotubes have shown that diamond nanowires are energetically and mechanically viable structures, reproducibly synthesizing the crystalline diamond nanowires has remained challenging. We present a comprehensive, up-to-date review of diamond nanowires, including a discussion of their synthesis along with their structures, properties, and applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Structure and properties of epoxy-siloxane-silica nanocomposite coatings for corrosion protection.

PubMed

Torrico, Ruben F A O; Harb, Samarah V; Trentin, Andressa; Uvida, Mayara C; Pulcinelli, Sandra H; Santilli, Celso V; Hammer, Peter

2018-03-01

The fraction of the silica/siloxane phase is a crucial parameter, which determines the structure and thus the properties of epoxy-siloxane-silica hybrid coatings. A careful adjustment of the colloidal precursor formulation allows tuning the nanostructure towards a highly condensed and cross-linked hybrid nanocomposite, suitable as an efficient anticorrosive coating. Novel epoxy-siloxane-silica hybrids have been prepared through the curing reaction of poly(bisphenol A-co-epichlorohydrin) (DGEBA) with diethyltriamine (DETA) and (3-glycidoxypropyl)methyltriethoxysilane (GPTMS), followed by hydrolytic condensation of tetraethoxysilane (TEOS) and GPTMS. At a constant proportion of the organic phase, the effects of the varying molar proportions of siloxane (GPTMS) and silica (TEOS) on the film properties have been investigated. A detailed structural analysis suggests for intermediate TEOS to GPTMS ratios a structure of highly condensed silica-siloxane domains covalently bonded to the embedding epoxy phase. The homogeneous distribution of the quasi-spherical sub-nonmetric silica-siloxane nodes is in agreement with low surface roughness (<5 nm), observed by atomic force microscopy. This dense nanostructure results in high thermal stability (>300 °C), strong adhesion to steel substrate and excellent barrier property in saline solution, with corrosion resistance in the GΩ cm 2 range. Copyright © 2017 Elsevier Inc. All rights reserved.

Structural properties of scandium inorganic salts

DOE PAGES

Sears, Jeremiah M.; Boyle, Timothy J.

2016-12-16

Here, the structural properties of reported inorganic scandium (Sc) salts were reviewed, including the halide (Cl, Br, and I), nitrate, sulfate, and phosphate salts. Additional analytical techniques used for characterization of these complexes (metrical data, FTIR and 45Sc NMR spectroscopy) were tabulated. A structural comparison of Sc to select lanthanide (La, Gd, Lu) salt complexes was briefly evaluated.

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.

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.

Physical Properties of Umbral Dots Observed in Sunspots: A Hinode Observation

NASA Astrophysics Data System (ADS)

Yadav, Rahul; Mathew, Shibu K.

2018-04-01

Umbral dots (UDs) are small-scale bright features observed in the umbral part of sunspots and pores. It is well established that they are manifestations of magnetoconvection phenomena inside umbrae. We study the physical properties of UDs in different sunspots and their dependence on decay rate and filling factor. We have selected high-resolution, G-band continuum filtergrams of seven sunspots from Hinode to study their physical properties. We have also used Michelson Doppler Imager (MDI) continuum images to estimate the decay rate of selected sunspots. An identification and tracking algorithm was developed to identify the UDs in time sequences. The statistical analysis of UDs exhibits an averaged maximum intensity and effective diameter of 0.26 I_{QS} and 270 km. Furthermore, the lifetime, horizontal speed, trajectory length, and displacement length (birth-death distance) of UDs are 8.19 minutes, 0.5 km s-1, 284 km, and 155 km, respectively. We also find a positive correlation between intensity-diameter, intensity-lifetime, and diameter-lifetime of UDs. However, UD properties do not show any significant relation with the decay rate or filling factor.

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.

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

A long-term soil structure observatory for post-compaction soil structure evolution: design and initial soil structure recovery observations

NASA Astrophysics Data System (ADS)

Keller, Thomas; Colombi, Tino; Ruiz, Siul; Grahm, Lina; Reiser, René; Rek, Jan; Oberholzer, Hans-Rudolf; Schymanski, Stanislaus; Walter, Achim; Or, Dani

2016-04-01

Soil compaction due to agricultural vehicular traffic alters the geometrical arrangement of soil constituents, thereby modifying mechanical properties and pore spaces that affect a range of soil hydro-ecological functions. The ecological and economic costs of soil compaction are dependent on the immediate impact on soil functions during the compaction event, and a function of the recovery time. In contrast to a wealth of soil compaction information, mechanisms and rates of soil structure recovery remain largely unknown. A long-term (>10-yr) soil structure observatory (SSO) was established in 2014 on a loamy soil in Zurich, Switzerland, to quantify rates and mechanisms of structure recovery of compacted arable soil under different post-compaction management treatments. We implemented three initial compaction treatments (using a two-axle agricultural vehicle with 8 Mg wheel load): compaction of the entire plot area (i.e. track-by-track), compaction in wheel tracks, and no compaction. After compaction, we implemented four post-compaction soil management systems: bare soil (BS), permanent grass (PG), crop rotation without mechanical loosening (NT), and crop rotation under conventional tillage (CT). BS and PG provide insights into uninterrupted natural processes of soil structure regeneration under reduced (BS) and normal biological activity (PG). The two cropping systems (NT and CT) enable insights into soil structure recovery under common agricultural practices with minimal (NT) and conventional mechanical soil disturbance (CT). Observations include periodic sampling and measurements of soil physical properties, earthworm abundance, crop measures, electrical resistivity and ground penetrating radar imaging, and continuous monitoring of state variables - soil moisture, temperature, CO2 and O2 concentrations, redox potential and oxygen diffusion rates - for which a network of sensors was installed at various depths (0-1 m). Initial compaction increased soil bulk density

Structural Fluctuations and Thermophysical Properties of Molten II-VI Compounds

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Zhu, S.; Li, C.; Scripa, R.; Lehoczky, S. L.; Kim, Y. M.; Baird, J. K.; Lin, B.; Ban, H.; Benmore, Chris;

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.

Structure-Function-Property-Design Interplay in Biopolymers: Spider Silk

PubMed Central

Tokareva, Olena; Jacobsen, Matthew; Buehler, Markus; Wong, Joyce; Kaplan, David L.

2013-01-01

Spider silks have been a focus of research for almost two decades due to their outstanding mechanical and biophysical properties. Recent advances in genetic engineering have led to the synthesis of recombinant spider silks, thus helping to unravel a fundamental understanding of structure-function-property relationships. The relationships between molecular composition, secondary structures, and mechanical properties found in different types of spider silks are described, along with a discussion of artificial spinning of these proteins and their bioapplications, including the role of silks in biomineralization and fabrication of biomaterials with controlled properties. PMID:23962644

The Epidemiology of Observed Temperament: Factor Structure and Demographic Group Differences

PubMed Central

Willoughby, Michael T.; Stifter, Cynthia A.; Gottfredson, Nisha C.

2015-01-01

This study investigated the factor structure of observational indicators of children’s temperament that were collected across the first three years of life in the Family Life Project (N = 1205) sample. A four-factor model (activity level, fear, anger, regulation), which corresponded broadly to Rothbart’s distinction between reactivity and regulation, provided an acceptable fit the observed data. Tests of measurement invariance demonstrated that a majority of the observational indicators exhibited comparable measurement properties for male vs. female, black vs. white, and poor vs. not-poor children, which improved the generalizability of these results. Unadjusted demographic group comparisons revealed small to moderate sized differences (Cohen ds = |.23 – .42|) in temperamental reactivity and moderate to large sized differences (Cohen ds = −.64 – −.97) in regulation. Collectively, demographic variables explained more of the variation in regulation (R2 = .25) than in reactivity (R2 = .02 – .06). Follow-up analyses demonstrated that race differences were substantially diminished in magnitude and better accounted for by poverty. These results help to validate the distinction between temperamental reactivity and regulation using observational indicators. PMID:25733489

Structure Property Relationships of Carboxylic Acid Isosteres.

PubMed

Lassalas, Pierrik; Gay, Bryant; Lasfargeas, Caroline; James, Michael J; Tran, Van; Vijayendran, Krishna G; Brunden, Kurt R; Kozlowski, Marisa C; Thomas, Craig J; Smith, Amos B; Huryn, Donna M; Ballatore, Carlo

2016-04-14

The replacement of a carboxylic acid with a surrogate structure, or (bio)-isostere, is a classical strategy in medicinal chemistry. The general underlying principle is that by maintaining the features of the carboxylic acid critical for biological activity, but appropriately modifying the physicochemical properties, improved analogs may result. In this context, a systematic assessment of the physicochemical properties of carboxylic acid isosteres would be desirable to enable more informed decisions of potential replacements to be used for analog design. Herein we report the structure-property relationships (SPR) of 35 phenylpropionic acid derivatives, in which the carboxylic acid moiety is replaced with a series of known isosteres. The data set generated provides an assessment of the relative impact on the physicochemical properties that these replacements may have compared to the carboxylic acid analog. As such, this study presents a framework for how to rationally apply isosteric replacements of the carboxylic acid functional group.

Structure-property relations of calcium-sulfur-hydrogen: An investigation of the electromechanical properties

NASA Astrophysics Data System (ADS)

Yuan, Lijian

This thesis investigates the structure-property relations for the calcium silicate hydrate (C-S-H) gel phase in hardened cement pastes (HCP). Studies were performed with the purpose of gaining insight into the origin of the electromechanical behavior and exploring the dynamic nature of the pore structures of HCP during water transport by using an electrically induced strain method. Emphasis was placed on the fundamental characteristics of the electrically induced strains, the role that electrically stimulated water transport through the interconnecting pore structures in HCP plays, as well as the mechanism underlying the induced strains. Reversible and irreversible components of the induced strains were distinguished under ac electric field. Evidence showed that the reversible strains were due to redistribution of water along the structure of the pore network of specimens, whereas the irreversible strains were related to long-range water transport toward the surface of specimens. In contrast, the contractive strains were found following the water loss during measurements. Investigations as a function of measurement frequency revealed a strong relaxation of the induced strains in the frequency range from 6.7 × 10sp{-3} to 1 Hz. The strong relaxation in the induced strains with electric field was found to be due to space charge polarization and a creep-like deformation. The induced strains were shown to be strongly affected by changes in the gel pore structures. The magnitude of the induced strains was found to be significantly dependent on the moisture content adsorbed. Evidence of a critical percolation of pore solution was also observed. A strong decrease in the induced strains was observed with decreasing temperature due to the influence of ice formation. This decrease was interpreted in terms of a decrease in the electroosmotic volumetric flux and hydraulic permeability with decreasing temperature. The strong non-linearity in the induced strains was found with

Fibrin mechanical properties and their structural origins.

PubMed

Litvinov, Rustem I; Weisel, John W

2017-07-01

Fibrin is a protein polymer that is essential for hemostasis and thrombosis, wound healing, and several other biological functions and pathological conditions that involve extracellular matrix. In addition to molecular and cellular interactions, fibrin mechanics has been recently shown to underlie clot behavior in the highly dynamic intra- and extravascular environments. Fibrin has both elastic and viscous properties. Perhaps the most remarkable rheological feature of the fibrin network is an extremely high elasticity and stability despite very low protein content. Another important mechanical property that is common to many filamentous protein polymers but not other polymers is stiffening occurring in response to shear, tension, or compression. New data has begun to provide a structural basis for the unique mechanical behavior of fibrin that originates from its complex multi-scale hierarchical structure. The mechanical behavior of the whole fibrin gel is governed largely by the properties of single fibers and their ensembles, including changes in fiber orientation, stretching, bending, and buckling. The properties of individual fibrin fibers are determined by the number and packing arrangements of double-stranded half-staggered protofibrils, which still remain poorly understood. It has also been proposed that forced unfolding of sub-molecular structures, including elongation of flexible and relatively unstructured portions of fibrin molecules, can contribute to fibrin deformations. In spite of a great increase in our knowledge of the structural mechanics of fibrin, much about the mechanisms of fibrin's biological functions remains unknown. Fibrin deformability is not only an essential part of the biomechanics of hemostasis and thrombosis, but also a rapidly developing field of bioengineering that uses fibrin as a versatile biomaterial with exceptional and tunable biochemical and mechanical properties. Copyright © 2016 Elsevier B.V. All rights reserved.

Structure and Properties of Al and Ga- Doped ZnO

NASA Astrophysics Data System (ADS)

Temizer, Namik Kemal

. Micro-structural, transport, optical and magnetic properties in ZnGa0.002Al 0.02O films grown by pulsed laser deposition under different growth conditions was studied. In ZnO films grown at substrate temperatures of 600°C most interesting features are the concomitant occurrence of high temperature resistivity minima and room temperature ferromagnetism with a high saturation magnetic moment and considerable coercivity. The temperature dependent resistivity data has been interpreted in the light of quantum corrections to conductivity in disordered systems, suggesting that the e-e interactions is the dominant mechanism in the weak-localization (WL) limit in the case of films showing resistivity minima. We propose that formation of oxygen vacancy-Zinc interstitial defect complex (VO-IZn) is responsible for the enhancement in n-type conductivity, and zinc vacancies (VZn) for the observed room temperature ferromagnetism. ZnO nanostructures are gaining importance in various applications, from gas sensing to thin film transistors (TFTs). We have studied the micro-structural, transport, optical and magnetic properties in ZnO nanostructured films grown by pulsed laser deposition under different ambient conditions. We have investigated the nanostructures in detail through x-ray diffraction, SEM and TEM techniques. We have achieved relatively low room temperature resistivity and the occurrence of room temperature ferromagnetism with significant saturation magnetic moment of 1000 A/m with coercivity in the range of 100-150 Oe. Photoluminescence measurements were conducted to get an insight about the types of defects that occur under different growth conditions. Correlations between transport, optical and magnetic properties has been established in terms of these defects and their complexes. These nanostructured oxides with magnetic and optical properties are promising candidates in multifunctional spintronic and photonic devices.

Meso-decorated self-healing gels: network structure and properties

NASA Astrophysics Data System (ADS)

Gong, Jin; Sawamura, Kensuke; Igarashi, Susumu; Furukawa, Hidemitsu

2013-04-01

Gels are a new material having three-dimensional network structures of macromolecules. They possess excellent properties as swellability, high permeability and biocompatibility, and have been applied in various fields of daily life, food, medicine, architecture, and chemistry. In this study, we tried to prepare new multi-functional and high-strength gels by using Meso-Decoration (Meso-Deco), one new method of structure design at intermediate mesoscale. High-performance rigid-rod aromatic polymorphic crystals, and the functional groups of thermoreversible Diels-Alder reaction were introduced into soft gels as crosslinkable pendent chains. The functionalization and strengthening of gels can be realized by meso-decorating the gels' structure using high-performance polymorphic crystals and thermoreversible pendent chains. New gels with good mechanical properties, novel optical properties and thermal properties are expected to be developed.

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.

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.

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

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.

Design of Hybrid Solid Polymer Electrolytes: Structure and Properties

NASA Technical Reports Server (NTRS)

Bronstein, Lyudmila M.; Karlinsey, Robert L.; Ritter, Kyle; Joo, Chan Gyu; Stein, Barry; Zwanziger, Josef W.

2003-01-01

This paper reports synthesis, structure, and properties of novel hybrid solid polymer electrolytes (SPE's) consisting of organically modified aluminosilica (OM-ALSi), formed within a poly(ethylene oxide)-in-salt (Li triflate) phase. To alter the structure and properties we fused functionalized silanes containing poly(ethylene oxide) (PEO) tails or CN groups.

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

Electronic structure and optical properties of graphene/stanene heterobilayer.

PubMed

Chen, Xianping; Meng, Ruishen; Jiang, Junke; Liang, Qiuhua; Yang, Qun; Tan, Chunjian; Sun, Xiang; Zhang, Shengli; Ren, Tianling

2016-06-28

The structural, electronic and optical properties of the graphene hybrid with stanene, the tin counterpart of graphene, are investigated by means of density functional calculation with the observation of band gap opening and enhanced visible light response. The lattice mismatch between graphene and stanene is taken into consideration and several stacking methods for model construction are proposed to study the possible effects. The Dirac feature can be observed in this bilayer system with relatively stronger interlayer interaction than weak van der Waals forces, which is ascribed to the unsaturated p orbital of stanene. Despite the mutual semi-metal nature of graphene and stanene, it is significant to note a band gap opening and the electrical neutrality of the bilayer. The combination of high carrier mobility of graphene and the excellent spin Hall effect of stanene is expected to coexist in the bilayer structure. In addition, we found that the stanene monolayer has a relatively lower work function than graphene and more importantly, it exhibits more pronounced optical absorption than graphene. The results indicate that a graphene/stanene heterobilayer will facilitate the performance of stanene related spintronic devices and is therefore a good candidate for photoelectronic devices.

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.

Relaxation, Structure and Properties of Semi-coherent Interfaces

DOE PAGES

Shao, Shuai; Wang, Jian

2015-11-05

Materials containing high density of interfaces are promising candidates for future energy technologies, because interfaces acting as sources, sinks, and barriers for defects can improve mechanical and irradiation properties of materials. Semi-coherent interface widely occurring in various materials is composed of a network of misfit dislocations and coherent regions separated by misfit dislocations. Lastly, in this article, we review relaxation mechanisms, structure and properties of (111) semi-coherent interfaces in face centered cubic structures.

Structural properties of impact ices accreted on aircraft structures

NASA Technical Reports Server (NTRS)

Scavuzzo, R. J.; Chu, M. L.

1987-01-01

The structural properties of ice accretions formed on aircraft surfaces are studied. The overall objectives are to measure basic structural properties of impact ices and to develop finite element analytical procedures for use in the design of all deicing systems. The Icing Research Tunnel (IRT) was used to produce simulated natural ice accretion over a wide range of icing conditions. Two different test apparatus were used to measure each of the three basic mechanical properties: tensile, shear, and peeling. Data was obtained on both adhesive shear strength of impact ices and peeling forces for various icing conditions. The influences of various icing parameters such as tunnel air temperature and velocity, icing cloud drop size, material substrate, surface temperature at ice/material interface, and ice thickness were studied. A finite element analysis of the shear test apparatus was developed in order to gain more insight in the evaluation of the test data. A comparison with other investigators was made. The result shows that the adhesive shear strength of impact ice typically varies between 40 and 50 psi, with peak strength reaching 120 psi and is not dependent on the kind of substrate used, the thickness of accreted ice, and tunnel temperature below 4 C.

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.

Structure and mechanical properties of a high-carbon steel subjected to severe deformation

NASA Astrophysics Data System (ADS)

Gorkunov, E. S.; Zadvorkin, S. M.; Goruleva, L. S.; Makarov, A. V.; Pecherkina, N. L.

2017-10-01

The structure and mechanical properties of a high-carbon eutectic steel subjected to the cold plastic deformation by hydrostatic extrusion in a wide range of true strain have been studied. Using scanning and transmission electron microscopy, it has been shown that the formation of cellular, fragmented, and submicrocrystalline structures occurs in the ferritic constituent of the pearlite structure of the steel upon extrusion. This is a consequence of the occurrence of dynamic recovery and continuous dynamic and post-dynamic recrystallization, which cause a decrease in the density of free dislocations at the true strain of more than 1.62. The partial dissolution of the carbide phase is also observed. It has been found that, at a true strain of up to 0.81, the strength properties of the investigated steel are determined mainly by subgrain, dislocation, and precipitation mechanisms of the strengthening; in the deformation range of 0.81-1.62, the role of the grainboundary strengthening increases. At strains above 1.62, grain-boundary strengthening is a prevailing mechanism in the formation of the level of strength properties of the extruded U8A steel. The ultimate tensile strength and yield stress over the entire strain range only uniquely correlate with the density of highangle boundaries; the dependences of the strength characteristics on other structural parameters are not monotonic.

Structurally-driven Enhancement of Thermoelectric Properties within Poly(3,4-ethylenedioxythiophene) thin Films

PubMed Central

Petsagkourakis, Ioannis; Pavlopoulou, Eleni; Portale, Giuseppe; Kuropatwa, Bryan A.; Dilhaire, Stefan; Fleury, Guillaume; Hadziioannou, Georges

2016-01-01

Due to the rising need for clean energy, thermoelectricity has raised as a potential alternative to reduce dependence on fossil fuels. Specifically, thermoelectric devices based on polymers could offer an efficient path for near-room temperature energy harvesters. Thus, control over thermoelectric properties of conducting polymers is crucial and, herein, the structural, electrical and thermoelectric properties of poly(3,4-ethylenedioxythiophene) (PEDOT) thin films doped with p-toluenesulfonate (Tos) molecules were investigated with regards to thin film processing. PEDOT:Tos thin films were prepared by in-situ polymerization of (3,4-ethylenedioxythiophene) monomers in presence of iron(III) p-toluenesulfonate with different co-solvents in order to tune the film structure. While the Seebeck coefficient remained constant, a large improvement in the electrical conductivity was observed for thin films processed with high boiling point additives. The increase of electrical conductivity was found to be solely in-plane mobility-driven. Probing the thin film structure by Grazing Incidence Wide Angle X-ray Scattering has shown that this behavior is dictated by the structural properties of the PEDOT:Tos films; specifically by the thin film crystallinity combined to the preferential edge-on orientation of the PEDOT crystallites. Consequentially enhancement of the power factor from 25 to 78.5 μW/mK2 has been readily obtained for PEDOT:Tos thin films following this methodology. PMID:27470637

Structurally-driven Enhancement of Thermoelectric Properties within Poly(3,4-ethylenedioxythiophene) thin Films.

PubMed

Petsagkourakis, Ioannis; Pavlopoulou, Eleni; Portale, Giuseppe; Kuropatwa, Bryan A; Dilhaire, Stefan; Fleury, Guillaume; Hadziioannou, Georges

2016-07-29

Due to the rising need for clean energy, thermoelectricity has raised as a potential alternative to reduce dependence on fossil fuels. Specifically, thermoelectric devices based on polymers could offer an efficient path for near-room temperature energy harvesters. Thus, control over thermoelectric properties of conducting polymers is crucial and, herein, the structural, electrical and thermoelectric properties of poly(3,4-ethylenedioxythiophene) (PEDOT) thin films doped with p-toluenesulfonate (Tos) molecules were investigated with regards to thin film processing. Tos thin films were prepared by in-situ polymerization of (3,4-ethylenedioxythiophene) monomers in presence of iron(III) p-toluenesulfonate with different co-solvents in order to tune the film structure. While the Seebeck coefficient remained constant, a large improvement in the electrical conductivity was observed for thin films processed with high boiling point additives. The increase of electrical conductivity was found to be solely in-plane mobility-driven. Probing the thin film structure by Grazing Incidence Wide Angle X-ray Scattering has shown that this behavior is dictated by the structural properties of the Tos films; specifically by the thin film crystallinity combined to the preferential edge-on orientation of the PEDOT crystallites. Consequentially enhancement of the power factor from 25 to 78.5 μW/mK(2) has been readily obtained for Tos thin films following this methodology.

Progress in Understanding the Impacts of 3-D Cloud Structure on MODIS Cloud Property Retrievals for Marine Boundary Layer Clouds

NASA Technical Reports Server (NTRS)

Zhang, Zhibo; Werner, Frank; Miller, Daniel; Platnick, Steven; Ackerman, Andrew; DiGirolamo, Larry; Meyer, Kerry; Marshak, Alexander; Wind, Galina; Zhao, Guangyu

2016-01-01

Theory: A novel framework based on 2-D Tayler expansion for quantifying the uncertainty in MODIS retrievals caused by sub-pixel reflectance inhomogeneity. (Zhang et al. 2016). How cloud vertical structure influences MODIS LWP retrievals. (Miller et al. 2016). Observation: Analysis of failed MODIS cloud property retrievals. (Cho et al. 2015). Cloud property retrievals from 15m resolution ASTER observations. (Werner et al. 2016). Modeling: LES-Satellite observation simulator (Zhang et al. 2012, Miller et al. 2016).

Observing the clustering properties of galaxy clusters in dynamical dark-energy cosmologies

NASA Astrophysics Data System (ADS)

Fedeli, C.; Moscardini, L.; Bartelmann, M.

2009-06-01

We study the clustering properties of galaxy clusters expected to be observed by various forthcoming surveys both in the X-ray and sub-mm regimes by the thermal Sunyaev-Zel'dovich effect. Several different background cosmological models are assumed, including the concordance ΛCDM and various cosmologies with dynamical evolution of the dark energy. Particular attention is paid to models with a significant contribution of dark energy at early times which affects the process of structure formation. Past light cone and selection effects in cluster catalogs are carefully modeled by realistic scaling relations between cluster mass and observables and by properly taking into account the selection functions of the different instruments. The results show that early dark-energy models are expected to produce significantly lower values of effective bias and both spatial and angular correlation amplitudes with respect to the standard ΛCDM model. Among the cluster catalogs studied in this work, it turns out that those based on eRosita, Planck, and South Pole Telescope observations are the most promising for distinguishing between various dark-energy models.

Structural and optical properties of vanadium ion-implanted GaN

NASA Astrophysics Data System (ADS)

Macková, A.; Malinský, P.; Jagerová, A.; Sofer, Z.; Klímová, K.; Sedmidubský, D.; Mikulics, M.; Lorinčík, J.; Veselá, D.; Böttger, R.; Akhmadaliev, S.

2017-09-01

The field of advanced electronic and optical devices searches for a new generation of transistors and lasers. The practical development of these novel devices depends on the availability of materials with the appropriate magnetic and optical properties, which is strongly connected to the internal morphology and the structural properties of the prepared doped structures. In this contribution, we present the characterisation of V ion-doped GaN epitaxial layers. GaN layers, oriented along the (0 0 0 1) crystallographic direction, grown by low-pressure metal-organic vapour-phase epitaxy (MOVPE) on c-plane sapphire substrates were implanted with 400 keV V+ ions at fluences of 5 × 1015 and 5 × 1016 cm-2. Elemental depth profiling was accomplished by Rutherford Backscattering Spectrometry (RBS) and Secondary Ion Mass Spectrometry (SIMS) to obtain precise information about the dopant distribution. Structural investigations are needed to understand the influence of defect distribution on the crystal-matrix recovery and the desired structural and optical properties. The structural properties of the ion-implanted layers were characterised by RBS-channelling and Raman spectroscopy to get a comprehensive insight into the structural modification of implanted GaN and to study the influence of subsequent annealing on the crystalline matrix reconstruction. Photoluminescence measurement was carried out to check the optical properties of the prepared structures.

The structural, electronic and optical properties of Au-ZnO interface structure from the first-principles calculation

NASA Astrophysics Data System (ADS)

Huo, Jin-Rong; Li, Lu; Cheng, Hai-Xia; Wang, Xiao-Xu; Zhang, Guo-Hua; Qian, Ping

2018-03-01

The interface structure, electronic and optical properties of Au-ZnO are studied using the first-principles calculation based on density functional theory (DFT). Given the interfacial distance, bonding configurations and terminated surface, we built the optimal interface structure and calculated the electronic and optical properties of the interface. The total density of states, partial electronic density of states, electric charge density and atomic populations (Mulliken) are also displayed. The results show that the electrons converge at O atoms at the interface, leading to a stronger binding of interfaces and thereby affecting the optical properties of interface structures. In addition, we present the binding energies of different interface structures. When the interface structure of Au-ZnO gets changed, furthermore, varying optical properties are exhibited.

Canopy structural complexity influences forest canopy reflectance: linking terrestrial lidar with Landsat observations

NASA Astrophysics Data System (ADS)

Hardiman, B. S.; Atkins, J.; Dahlin, K.; Fahey, R. T.; Gough, C. M.

2016-12-01

dependent on both leaf quantity and arrangement. Relating satellite observations of canopy properties to TLS metrics of canopy physical structure represents an important advance for modelling canopy energy balance and forest C cycling processes at large spatial scales.

Yb14MgBi11: structure, thermoelectric properties and the effect of the structure on low lattice thermal conductivity.

PubMed

Hu, Yufei; Kauzlarich, Susan M

2017-03-21

Zintl phases Yb 14 MnSb 11 and Yb 14 MgSb 11 , which share the same complex structure type, have been demonstrated as the best p-type thermoelectric materials for the high temperature region (800-1200 K). A new iso-structural compound, Yb 14 MgBi 11 , was synthesized in order to investigate the structure and thermoelectric properties of the Bi analogs. Yb 14 MgBi 11 crystallizes in the Ca 14 AlSb 11 structure-type with the space group I4 1 /acd [a = 16.974(2) Å, c = 22.399(4) Å, V = 6454(2) Å 3 , R 1 /wR 2 = 0.0238/0.0475]. The structure follows the previous description of this structure type and the trend observed in previous analogs. Thermoelectric properties of Yb 14 MgBi 11 are measured together with Yb 14 MnBi 11 and both compounds are metallic. Compared to Yb 14 MgSb 11 , Yb 14 MgBi 11 has a higher carrier concentration with a similar mobility and effective mass. The lattice thermal conductivity of Yb 14 MgBi 11 is extremely low, which is as low as 0.16-0.36 W(mK) -1 . The zT values of Yb 14 MgBi 11 and Yb 14 MnBi 11 reach 0.2 at 875 K.

Fundamental Properties of Co-moving Stars Observed by Gaia

NASA Astrophysics Data System (ADS)

Bochanski, John J.; Faherty, Jacqueline K.; Gagné, Jonathan; Nelson, Olivia; Coker, Kristina; Smithka, Iliya; Desir, Deion; Vasquez, Chelsea

2018-04-01

We have estimated fundamental parameters for a sample of co-moving stars observed by Gaia and identified by Oh et al. We matched the Gaia observations to the 2MASS and Wide-Field Infrared Survey Explorer catalogs and fit MIST isochrones to the data, deriving estimates of the mass, radius, [Fe/H], age, distance, and extinction to 9754 stars in the original sample of 10606 stars. We verify these estimates by comparing our new results to previous analyses of nearby stars, examining fiducial cluster properties, and estimating the power-law slope of the local present-day mass function. A comparison to previous studies suggests that our mass estimates are robust, while metallicity and age estimates are increasingly uncertain. We use our calculated masses to examine the properties of binaries in the sample and show that separation of the pairs dominates the observed binding energies and expected lifetimes.

Structural properties of hydration shell around various conformations of simple polypeptides.

PubMed

Czapiewski, Dariusz; Zielkiewicz, Jan

2010-04-08

the water local ordering has been built. An interesting correlation is observed: the points on this map lie approximately on the straight line, while the linear conformations clearly deviate from the general tendency. Further analysis of the obtained results allows us to express the supposition that an increasing local ordering of water around given secondary structure corresponds to an increasing relative stability of this structure in aqueous solution. Analyzing the geometry of the water-water hydrogen bond network within the solvation layer, we find some systematic deviations of this geometry from the bulk water properties. We also observe that the alanine peptides (excluding the linear form) disturb the hydrogen bond network in the less range, and in another way than the various conformations of polyglycine, while the linear form of polyalanine behaves very similarly to the glycine ones. Next, investigating the dynamic properties, we also conclude that water near the peptide surface creates a pseudorigid structure, a "halo" around the peptide core. This "halo" is stabilized by slightly higher energy of the hydrogen bonds network: we have found that within this region the hydrogen bonds network is slightly less distorted, the water-water hydrogen bonds are a little more stable and their mean lifetime is clearly longer that that of bulk water. Significant differences between the alanine- and glycine-based polypeptides are also visible. It has also been found that this solvation layer interacts with the polyalanine in another way than with polyglycine. Although in the case of the glycine-based polypeptide this layer slides relatively freely over the peptide surface, for the alanine-based polypeptide this sliding is strongly hindered by the presence of the methyl groups, and this effect is additionally enhanced by a rise in the solvation layer rigidity. Thus, the survey of various dynamic properties allows us to perceive and to explain distinct differences in behavior

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.

CRITICAL MECHANICAL PROPERTIES OF STRUCTURAL LIGHT-WEIGHT CONCRETE AND THE EFFECTS OF THESE PROPERTIES ON THE DESIGN OF THE PAVEMENT STRUCTURE.

DOT National Transportation Integrated Search

1965-01-01

In this study, critical mechanical properties of structural lightweight concrete were determined and utilized in the evaluation of a design of concrete pavements. Also presented are the critical mechanical properties resulting from unrestrained and r...

Self-Assembled Ag-MXA Superclusters with Structure-Dependent Mechanical Properties.

PubMed

Qin, Xiaoyun; Luo, Dan; Xue, Zhenjie; Song, Qian; Wang, Tie

2018-03-01

The low elastic modulus and time-consuming formation process represent the major challenges that impede the penetration of nanoparticle superstructures into daily life applications. As observed in the molecular or atomic crystals, more effective interactions between adjacent nanoparticles would introduce beneficial features to assemblies enabling optimized mechanical properties. Here, a straightforward synthetic strategy is showed that allows fast and scalable fabrication of 2D Ag-mercaptoalkyl acid superclusters of either hexagonal or lamellar topology. Remarkably, these ordered superstructures exhibit a structure-dependent elastic modulus which is subject to the tether length of straight-chain mercaptoalkyl acids or the ratio between silver and tether molecules. These superclusters are plastic and moldable against arbitrarily shaped masters of macroscopic dimensions, thereby opening a wealth of possibilities to develop more nanocrystals with practically useful nanoscopic properties. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nd: YAG laser irradiation effects on structural and magnetic properties of Ni1+xZrxFe2-2xO4 nanoparticles

NASA Astrophysics Data System (ADS)

Saraf, Tukaram S.; Kounsalye, Jitendra S.; Birajdar, Shankar D.; Shamkuwar, N. R.

2018-05-01

The effect of 112 mJ Nd: YAG laser irradiation on structural, morphological, infrared and magnetic properties of Ni1+xZrxFe2-2xO4 spinel ferrite nanoparticles has been systematically investigated in the present work. The sol-gel auto combustion synthesis method was successfully executed for the synthesis of the present system. All the samples were characterized by X-ray diffraction technique (XRD), scanning electron microscopy (SEM) and infrared spectroscopy (IR) technique. The magnetic properties of the present samples were measured by pulse field hysteresis loop technique. All the properties were measured for laser irradiated samples as well, to understand the effect of irradiation on the properties. The single-phase cubic spinel structure was confirmed by X-ray diffraction patterns of all samples and the disordered structure was observed for irradiated samples. The two principle absorption bands in IR spectra also confirm the formation of the spinel structure. Spherical and agglomerated morphology was observed for Zr4+ substituted nickel ferrite, whereas scratched morphology was observed for the irradiated samples. The grain size confirms the nanocrystalline nature, the crystallite size also evident the same. The magnetic parameters decreased after Zr4+ ion doping and strongly influenced by the irradiation.

Structure-function-property-design interplay in biopolymers: spider silk.

PubMed

Tokareva, Olena; Jacobsen, Matthew; Buehler, Markus; Wong, Joyce; Kaplan, David L

2014-04-01

Spider silks have been a focus of research for almost two decades due to their outstanding mechanical and biophysical properties. Recent advances in genetic engineering have led to the synthesis of recombinant spider silks, thus helping to unravel a fundamental understanding of structure-function-property relationships. The relationships between molecular composition, secondary structures and mechanical properties found in different types of spider silks are described, along with a discussion of artificial spinning of these proteins and their bioapplications, including the role of silks in biomineralization and fabrication of biomaterials with controlled properties. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Elastic and microplastic properties of titanium in different structural states

NASA Astrophysics Data System (ADS)

Kardashev, B. K.; Betekhtin, V. I.; Kadomtsev, A. G.; Narykova, M. V.; Kolobov, Yu. R.

2017-09-01

The behavior of elastic (Young's modulus) and microplastic properties of titanium depending on the initial structure and subsequent severe plastic deformation that transforms the material (concerning the grain size) into the submicrocrystalline structural state has been studied. It has been shown that, to a great extent, different initial structures of the metal predetermine its elastic properties after deformation.

Properties of Turbulence in the Reconnection Exhaust: Numerical Simulations Compared with Observations

NASA Astrophysics Data System (ADS)

Pucci, F.; Servidio, S.; Sorriso-Valvo, L.; Olshevsky, V.; Matthaeus, W. H.; Malara, F.; Goldman, M. V.; Newman, D. L.; Lapenta, G.

2017-05-01

The properties of the turbulence that develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with reported observations of reconnection events in the magnetotail, investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show the development of a turbulent cascade consistent with spacecraft observations, statistics of the dissipation mechanisms in the turbulent outflows similar to the ones observed in reconnection jets in the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.

Properties of turbulence in the reconnection exhaust: numerical simulations compared with observations

NASA Astrophysics Data System (ADS)

Pucci, Francesco; Servidio, Sergio; Sorriso-Valvo, Luca; Olshevsky, Vyacheslav; Matthaeus, William; Malara, Francesco; Goldman, Martin; Newman, David; Lapenta, Giovanni

2017-04-01

The properties of the turbulence which develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with observations of reconnection event in the magnetotail investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show: the development of a turbulent cascade consistent with spacecraft observations, statistics of the the dissipation mechanisms in the turbulent outflows similar to the one observed in reconnection jets in the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.

Properties of Turbulence in the Reconnection Exhaust: Numerical Simulations Compared with Observations

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

Pucci, F.; Olshevsky, V.; Lapenta, G.

2017-05-20

The properties of the turbulence that develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with reported observations of reconnection events in the magnetotail, investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show the development of a turbulent cascade consistent with spacecraft observations, statistics of the dissipation mechanisms in the turbulent outflows similar to the ones observed in reconnection jets inmore » the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.« less

Structure Property Relationships of Biobased Epoxy Resins

NASA Astrophysics Data System (ADS)

Maiorana, Anthony Surraht

The thesis is about the synthesis, characterization, development, and application of epoxy resins derived from sustainable feedstocks such as lingo-cellulose, plant oils, and other non-food feedstocks. The thesis can be divided into two main topics 1) the synthesis and structure property relationship investigation of new biobased epoxy resin families and 2) mixing epoxy resins with reactive diluents, nanoparticles, toughening agents, and understanding co-curing reactions, filler/matrix interactions, and cured epoxy resin thermomechanical, viscoelastic, and dielectric properties. The thesis seeks to bridge the gap between new epoxy resin development, application for composites and advanced materials, processing and manufacturing, and end of life of thermoset polymers. The structures of uncured epoxy resins are characterized through traditional small molecule techniques such as nuclear magnetic resonance, high resolution mass spectrometry, and infrared spectroscopy. The structure of epoxy resin monomers are further understood through the process of curing the resins and cured resins' properties through rheology, chemorheology, dynamic mechanical analysis, tensile testing, fracture toughness, differential scanning calorimetry, scanning electron microscopy, thermogravimetric analysis, and notched izod impact testing. It was found that diphenolate esters are viable alternatives to bisphenol A and that the structure of the ester side chain can have signifi-cant effects on monomer viscosity. The structure of the cured diphenolate based epoxy resins also influence glass transition temperature and dielectric properties. Incorporation of reactive diluents and flexible resins can lower viscosity, extend gel time, and enable processing of high filler content composites and increase fracture toughness. Incorpora-tion of high elastic modulus nanoparticles such as graphene can provide increases in physical properties such as elastic modulus and fracture toughness. The synthesis

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

Observational Properties of Coronal Mass Ejections

DTIC Science & Technology

2006-01-01

speeds 2.5. Masses and Energies of CMEs exceeded 2000 km s-1; the fastest CME speed measured thus far was 2657 km s-1 on 4 November 2000. When compiled The...accelerated. The average deceleration of the fastest (> 900 km s-1) The CME kinetic energies can also be calculated from the CME group is -16 m s-2...OBSERVATIONAL PROPERTIES OF CORONAL MASS EJECTIONS 15 *"...... .. ’..’... ... ’...... kinetic energy is 2.4 x 1030 ergs (5.0 x 1029 ergs) [Vourlidas, 2004

Titan's aerosol optical properties with VIMS observations at the limb

NASA Astrophysics Data System (ADS)

Rannou, Pascal; Seignovert, Benoit; Le Mouelic, Stephane; Sotin, Christophe

2016-06-01

The study of Titan properties with remote sensing relies on a good knowledge of the atmosphere properties. The in-situ observations made by Huygens combined with recent advances in the definition of methane properties enable to model and interpret observations with a very good accuracy. Thanks to these progresses, we can analyze in this work the observations made at the limb of Titan in order to retrieve information on the haze properties as its vertical profiles but also the spectral behaviour between 0.88 and 5.2 µm. To study the haze layer and more generally the source of opacities in the stratosphere, we use some observation made at the limb of Titan by the VIMS instrument onboard Cassini. We used a model in spherical geometry and in single scattering, and we accounted for the multiple scattering with a parallel plane model that evaluate the multiple scattering source function at the plane of the limb. Our scope is to retrieve informations about the vertical distribution of the haze, its spectral properties, but also to obtain details about the shape of the methane windows to desantangle the role of the methane and of the aerosols. We started our study at the latitude of 55°N, with a image taken in 2006 with a relatively high spatial resolution (for VIMS). Our preliminary results shows the spectral properties of the aerosols are the same whatever the altitude. This is a consequence of the large scale mixing. From limb profile between 0.9 and 5.2 µm, we can probe the haze layer from about 500 km (at 0.9 µm) to the ground (at 5.2 µm). We find that the vertical profile of the haze layer shows three distinct scale heights with transitions around 250 km and 350 km. We also clearly a transition around 70-90 km that may be due to the top of a condensation layer.

Physical properties of Moving Magnetic Features observed around a pore

NASA Astrophysics Data System (ADS)

Criscuoli, S.; Del Moro, D.; Giannattasio, F.; Viticchié, B.; Giorgi, F.; Ermolli, I.; Zuccarello, F.; Berrilli, F.

2012-06-01

Movies of magnetograms of sunspots often show small-size magnetic patches that move radially away and seem to be expelled from the field of the spot. These patches are named Moving Magnetic Features (MMFs). They have been mostly observed around spots and have been interpreted as manifestations of penumbral filaments. Nevertheless, few observations of MMFS streaming out from spots without penumbra have been reported. He we investigate the physical properties of MMFs observed around the field of a pore derived by the analyses of high spectral, spatial and temporal resolution data acquired at the Dunn Solar Telescope with IBIS. We find that the main properties of the investigated features agree with those reported for MMFs observed around regular spots. These results indicate that an improvement of current numerical simulations is required to understand the generation of MMFs in the lack of penumbrae.

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.

Structural properties and glass transition in Aln clusters

NASA Astrophysics Data System (ADS)

Sun, D. Y.; Gong, X. G.

1998-02-01

We have studied the structural and dynamical properties of several Aln clusters by the molecular-dynamics method combined with simulated annealing. The well-fitted glue potential is used to describe the interatomic interaction. The obtained atomic structures for n=13, 55, and 147 are in agreement with results from ab initio calculations. Our results have demonstrated that the disordered cluster Al43 can be considered as a glass cluster. The obtained thermal properties of glass cluster Al43 are clearly different from the results for high-symmetry clusters, its melting behavior has properties similar to those of a glass solid. The present studies also show that the surface melting behavior does not exist in the studied Aln clusters.

Structural stability, mechanical properties, electronic structures and thermal properties of XS (X = Ti, V, Cr, Mn, Fe, Co, Ni) binary compounds

NASA Astrophysics Data System (ADS)

Liu, Yangzhen; Xing, Jiandong; Fu, Hanguang; Li, Yefei; Sun, Liang; Lv, Zheng

2017-08-01

The properties of sulfides are important in the design of new iron-steel materials. In this study, first-principles calculations were used to estimate the structural stability, mechanical properties, electronic structures and thermal properties of XS (X = Ti, V, Cr, Mn, Fe, Co, Ni) binary compounds. The results reveal that these XS binary compounds are thermodynamically stable, because their formation enthalpy is negative. The elastic constants, Cij, and moduli (B, G, E) were investigated using stress-strain and Voigt-Reuss-Hill approximation, respectively. The sulfide anisotropy was discussed from an anisotropic index and three-dimensional surface contours. The electronic structures reveal that the bonding characteristics of the XS compounds are a mixture of metallic and covalent bonds. Using a quasi-harmonic Debye approximation, the heat capacity at constant pressure and constant volume was estimated. NiS possesses the largest CP and CV of the sulfides.

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.

Tuning transport properties on graphene multiterminal structures by mechanical deformations

NASA Astrophysics Data System (ADS)

Latge, Andrea; Torres, Vanessa; Faria, Daiara

The realization of mechanical strain on graphene structures is viewed as a promise route to tune electronic and transport properties such as changing energy band-gaps and promoting localization of states. Using continuum models, mechanical deformations are described by effective gauge fields, mirrored as pseudomagnetic fields that may reach quite high values. Interesting symmetry features are developed due to out of plane deformations on graphene; lift sublattice symmetry was predicted and observed in centrosymmetric bumps and strained nanobubbles. Here we discuss the effects of Gaussian-like strain on a hexagonal graphene flake connected to three leads, modeled as perfect graphene nanoribbons. The Green function formalism is used within a tight-binding approximation. For this particular deformation sharp resonant states are achieved depending on the strained structure details. We also study a fold-strained structure in which the three leads are deformed extending up to the very center of the hexagonal flake. We show that conductance suppressions can be controlled by the strain intensity and important transport features are modeled by the electronic band structure of the leads.

Structure and Early Soot Oxidation Properties of Laminar Diffusion Flames

NASA Technical Reports Server (NTRS)

El-Leathy, A. M.; Xu, F.; Faeth, G. M.

2001-01-01

Soot is an important unsolved problem of combustion science because it is present in most hydrocarbon-fueled flames and current understanding of the reactive and physical properties of soot in flame environments is limited. This lack of understanding affects progress toward developing reliable predictions of flame radiation properties, reliable predictions of flame pollutant emission properties and reliable methods of computational combustion, among others. Motivated by these observations, the present investigation extended past studies of soot formation in this laboratory, to consider soot oxidation in laminar diffusion flames using similar methods. Early work showed that O2 was responsible for soot oxidation in high temperature O2-rich environments. Subsequent work in high temperature flame environments having small O2 concentrations, however, showed that soot oxidation rates substantially exceeded estimates based on the classical O2 oxidation rates of Nagle and Strickland-Constable and suggests that radicals such as O and OH might be strong contributors to soot oxidation for such conditions. Neoh et al. subsequently made observations in premixed flames, supported by later work, that showed that OH was responsible for soot oxidation at these conditions with a very reasonable collision efficiency of 0.13. Subsequent studies in diffusion flames, however, were not in agreement with the premixed flame studies: they agreed that OH played a dominant role in soot oxidation in flames, but found collision efficiencies that varied with flame conditions and were not in good agreement with each other or with Neoh et al. One explanation for these discrepancies is that optical scattering and extinction properties were used to infer soot structure properties for the studies that have not been very successful for representing the optical properties of soot. Whatever the source of the problem, however, these differences among observations of soot oxidation in premixed and

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.

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.

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

TRPC Channel Structure and Properties.

PubMed

Feng, Shengjie

2017-01-01

TRPC channels are the first identified members in the TRP family. They function as either homo- or heterotetramers regulating intracellular Ca 2+ concentration in response to numerous physiological or pathological stimuli. TRPC channels are nonselective cation channels permeable to Ca 2+ . The properties and the functional domains of TRPC channels have been identified by electrophysiological and biochemical methods. However, due to the large size, instability, and flexibility of their complexes, the structures of the members in TRPC family remain unrevealed. More efforts should be made on structure analysis and generating good tools, including specific antibodies, agonist, and antagonist.

Observation and analysis of water inherent optical properties

NASA Astrophysics Data System (ADS)

Sun, Deyong; Li, Yunmei; Le, Chengfeng; Huang, Changchun

2008-03-01

Inherent optical property is an important part of water optical properties, and is the foundation of water color analytical model establishment. Through quantity filter technology (QFT) and backscattering meter BB9 (WETlabs Inc), absorption coefficients of CDOM, total suspended minerals and backscattering coefficients of total suspended minerals had been observed in Meiliang Bay of Taihu lake at summer and winter respectively. After analyzing the spectral characteristics of absorption and backscattering coefficients, the differences between two seasons had been illustrated adequately, and the reasons for the phenomena, which are related to the changes of water quality coefficient, had also been explained. So water environment states can be reflected by inherent optical properties. In addition, the relationship models between backscattering coefficients and suspended particle concentrations had been established, which can support coefficients for analytical models.

Structures and properties of fluorinated amorphous carbon films

NASA Astrophysics Data System (ADS)

Huang, K. P.; Lin, P.; Shih, H. C.

2004-07-01

Fluorinated amorphous carbon (a-C:F) films were deposited by radio frequency bias assisted microwave plasma electron cyclotron resonance chemical vapor deposition with tetrafluoromethane (CF4) and acetylene (C2H2) as precursors. The deposition process was performed at two flow ratios R=0.90 and R=0.97, where R=CF4/(CF4+C2H2). The samples were annealed at 300 °C for 30 min. in a N2 atmosphere. Both Fourier transform infrared and electron spectroscopy for chemical analyzer were used to characterize the a-C:F film chemical bond and fluorine concentration, respectively. A high resolution electron energy loss spectrometer was applied to detect the electronic structure. The higher CF4 flow ratio (R=0.97) produced more sp3 linear structure, and it made the a-C:F film smoother and softer. A lifetime of around 0.34 μs and an energy gap of ˜2.75 eV were observed in both the as-deposited and after annealing conditions. The short carriers lifetime in the a-C:F film made the photoluminescence peak blueshift. The annealing changed both the structure and composition of the a-C:F film. The type of fluorocarbon bond and electronic structure characterized the mechanical and physical properties of a-C:F film.

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.

Magnetic properties of magnetic bilayer Kekulene structure: A Monte Carlo study

NASA Astrophysics Data System (ADS)

Jabar, A.; Masrour, R.

2018-06-01

In the present work, we have studied the magnetic properties of magnetic bilayer Kekulene structure with mixed spin-5/2 and spin-2 Ising model using Monte Carlo study. The magnetic phase diagrams of mixed spins Ising model have been given. The thermal total, partial magnetization and magnetic susceptibilities of the mixed spin-5/2 and spin-2 Ising model on a magnetic bilayer Kekulene structure are obtained. The transition temperature has been deduced. The effect of crystal field and exchange interactions on the this bilayers has been studied. The partial and total magnetic hysteresis cycles of the mixed spin-5/2 and spin-2 Ising model on a magnetic bilayer Kekulene structure have been given. The superparamagnetism behavior is observed in magnetic bilayer Kekulene structure. The magnetic coercive field decreases with increasing the exchange interactions between σ-σ and temperatures values and increases with increasing the absolute value of exchange interactions between σ-S. The multiple hysteresis behavior appears.

Correlation between the hierarchical structures and nanomechanical properties of amyloid fibrils

NASA Astrophysics Data System (ADS)

Lee, Gyudo; Lee, Wonseok; Baik, Seunghyun; Kim, Yong Ho; Eom, Kilho; Kwon, Taeyun

2018-07-01

Amyloid fibrils have recently been highlighted due to their excellent mechanical properties, which not only play a role in their biological functions but also imply their applications in biomimetic material design. Despite recent efforts to unveil how the excellent mechanical properties of amyloid fibrils originate, it has remained elusive how the anisotropic nanomechanical properties of hierarchically structured amyloid fibrils are determined. Here, we characterize the anisotropic nanomechanical properties of hierarchically structured amyloid fibrils using atomic force microscopy experiments and atomistic simulations. It is shown that the hierarchical structure of amyloid fibrils plays a crucial role in determining their radial elastic property but does not make any effect on their bending elastic property. This is attributed to the role of intermolecular force acting between the filaments (constituting the fibril) on the radial elastic modulus of amyloid fibrils. Our finding illustrates how the hierarchical structure of amyloid fibrils encodes their anisotropic nanomechanical properties. Our study provides key design principles of amyloid fibrils, which endow valuable insight into the underlying mechanisms of amyloid mechanics.

Correlation between the hierarchical structures and nanomechanical properties of amyloid fibrils.

PubMed

Lee, Gyudo; Lee, Wonseok; Baik, Seunghyun; Kim, Yong Ho; Eom, Kilho; Kwon, Taeyun

2018-04-12

Amyloid fibrils have recently been highlighted due to their excellent mechanical properties, which not only play a role in their biological functions but also imply their applications in biomimetic material design. Despite recent efforts to unveil how the excellent mechanical properties of amyloid fibrils originate, it has remained elusive how the anisotropic nanomechanical properties of hierarchically structured amyloid fibrils are determined. Here, we characterize the anisotropic nanomechanical properties of hierarchically structured amyloid fibrils using atomic force microscopy (AFM) experiments and atomistic simulations. It is shown that the hierarchical structure of amyloid fibrils plays a crucial role in determining their radial elastic property but does not make any effect on their radial bending elastic property. This is attributed to the role of intermolecular force acting between the filaments (constituting the fibril) on the radial elastic modulus of amyloid fibrils. Our finding illustrates how the hierarchical structure of amyloid fibrils encodes their anisotropic nanomechanical properties. Our study provides key design principles of amyloid fibrils, which endow valuable insight into the underlying mechanisms of amyloid mechanics. © 2018 IOP Publishing Ltd.

Structural properties of matrix metalloproteinases.

PubMed

Bode, W; Fernandez-Catalan, C; Tschesche, H; Grams, F; Nagase, H; Maskos, K

1999-04-01

Matrix metalloproteinases (MMPs) are involved in extracellular matrix degradation. Their proteolytic activity must be precisely regulated by their endogenous protein inhibitors, the tissue inhibitors of metalloproteinases (TIMPs). Disruption of this balance results in serious diseases such as arthritis, tumour growth and metastasis. Knowledge of the tertiary structures of the proteins involved is crucial for understanding their functional properties and interference with associated dysfunctions. Within the last few years, several three-dimensional MMP and MMP-TIMP structures became available, showing the domain organization, polypeptide fold and main specificity determinants. Complexes of the catalytic MMP domains with various synthetic inhibitors enabled the structure-based design and improvement of high-affinity ligands, which might be elaborated into drugs. A multitude of reviews surveying work done on all aspects of MMPs have appeared in recent years, but none of them has focused on the three-dimensional structures. This review was written to close the gap.

Local structure and structural signature underlying properties in metallic glasses and supercooled liquids

NASA Astrophysics Data System (ADS)

Ding, Jun

Metallic glasses (MGs), discovered five decades ago as a newcomer in the family of glasses, are of current interest because of their unique structures and properties. There are also many fundamental materials science issues that remain unresolved for metallic glasses, as well as their predecessor above glass transition temperature, the supercooled liquids. In particular, it is a major challenge to characterize the local structure and unveil the structure-property relationship for these amorphous materials. This thesis presents a systematic study of the local structure of metallic glasses as well as supercooled liquids via classical and ab initio molecular dynamics simulations. Three typical MG models are chosen as representative candidate, Cu64 Zr36, Pd82Si18 and Mg65Cu 25Y10 systems, while the former is dominant with full icosahedra short-range order and the prism-type short-range order dominate for latter two. Furthermore, we move to unravel the underlying structural signature among several properties in metallic glasses. Firstly, the temperature dependence of specific heat and liquid fragility between Cu-Zr and Mg-Cu-Y (also Pd-Si) in supercooled liquids are quite distinct: gradual versus fast evolution of specific heat and viscosity/relaxation time with undercooling. Their local structural ordering are found to relate with the temperature dependence of specific heat and relaxation time. Then elastic heterogeneity has been studied to correlate with local structure in Cu-Zr MGs. Specifically, this part covers how the degree of elastic deformation correlates with the internal structure at the atomic level, how to quantitatively evaluate the local solidity/liquidity in MGs and how the network of interpenetrating connection of icosahedra determine the corresponding shear modulus. Finally, we have illustrated the structure signature of quasi-localized low-frequency vibrational normal modes, which resides the intriguing vibrational properties in MGs. Specifically, the

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.

Variability and similarities in the structural properties of two related Laminaria kelp species

NASA Astrophysics Data System (ADS)

Henry, Pierre-Yves

2018-01-01

Kelps of the genus Laminaria have long been studied and shown to exhibit a seasonal shift in growth and morphology, as nutrients and light levels change during the year. However, the variation of kelp biomechanical properties has been little explored despite the importance of these properties for the interaction of kelp with the flow. Previous research showed that aging does influence the algae biomechanical properties, so this study further investigates the variability of kelp biomechanical properties and morphological characteristics at a given site as a function of the season (growth phase), species, and different kelp parts. Mechanical parameters and morphological characteristics were measured on kelps sampled in winter and summer, and DNA sequencing was used to identify the two related species, L. digitata and L. hyperborea. Descriptive statistics and statistical analysis were used to detect trends in the modulation of kelp mechanical design. Although two distinct species were identified, only minor structural differences were observed between them. The biomechanical properties varied significantly along the kelp, and significant seasonal shifts occurred at the blade level, in relation to the different morphological changes during blade renewal. In general, the variations of the structural properties were mostly linked to the blade growth activity. The absence of significant variation in the mechanical design of the two species highlights the significance of the adaptation to the same local environmental conditions, this adaptation being a key process in vegetation-flow interactions and having implications on the interaction between kelp and hydrodynamics.

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.

An Investigation of College Chemistry Students' Understanding of Structure-Property Relationships

ERIC Educational Resources Information Center

Cooper, Melanie M.; Corley, Leah M.; Underwood, Sonia M.

2013-01-01

The connection between the molecular-level structure of a substance and its macroscopic properties is a fundamental concept in chemistry. Students in college-level general and organic chemistry courses were interviewed to investigate how they used structure-property relationships to predict properties such as melting and boiling points. Although…

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.

Annealing effect on the structural and dielectric properties of hematite nanoparticles

NASA Astrophysics Data System (ADS)

Kumar, Vijay; Chahal, Surjeet; Singh, Dharamvir; Kumar, Ashok; Kumar, Parmod; Asokan, K.

2018-05-01

In the present work, we have synthesized hematite (α-Fe2O3) nanoparticles by sol-gel method and sintered them at different temperatures (200 °C, 400 °C and 800 °C for six hours). The samples were then characterized using versatile characterization techniques such as X-ray diffraction (XRD), dielectric measurement and temperature dependent resistivity (RT) for their structural, dielectric and electrical properties. XRD measurements infer that intensity of peak increases with an increase in temperature resulting an increase in crystallite size. Temperature dependent resistivity also shows decrease in the resistivity of the samples. Furthermore, the dielectric measurements correspond to the increase in the dielectric constant. Based on these observations, it can be inferred that sintering temperature plays an important role in tailoring the various physical properties of hematite nanoparticles.

Unraveling Structure-Property Relationships in Polymer Blends for Intelligent Materials Design

NASA Astrophysics Data System (ADS)

Irwin, Matthew Tyler

Block polymers provide an accessible route to structured, composite materials by combining two or more components with disparate mechanical, chemical, and electrical properties into a single bulk material with nanoscale domains. However, the characteristic lengthscale of these systems is limited, and the choice of components is restricted to those that are able to undergo microstructural ordering at accessible temperatures. This thesis details routes to overcoming these limitations through the addition of a lithium salt, a blend of homopolymers, or both. Chapter 2 describes a study wherein complex sphere phases such as the Frank-Kasper sigma phase can be observed in otherwise disordered asymmetric block polymers through the addition of a lithium salt. Chapter 3 discusses the development and characterization of a ternary polymer blend of an AB diblock copolymer and A and B homopolymers doped with a lithium salt. Detailed characterization showed that doping blends that are otherwise disordered with lithium salt induced microstructural ordering and largely recovers the phase behavior of traditional ternary polymer blends. A systematic study of the ionic conductivity of the blends at a fixed salt concentration demonstrates that, at a given composition, disordered, yet highly structured blends consistently exhibit better conductivity than polycrystalline morphologies with long range order. Chapter 4 extends the methodology of Chapter 3 and details a systematic study of the effects of cross-linker concentration on the performance of polymer electrolyte membranes produced via polymerization-induced microphase separation that exhibit a highly structured, globally disordered microstructure. Finally, Chapter 5 details efforts to develop a water filtration membrane using a polyethylene template derived from a polymeric bicontinuous microemulsion. Throughout all of this work, the goal is to better understand structure-property relationships at the molecular level in order to

Structure-Property Relationships of Bismaleimides

NASA Technical Reports Server (NTRS)

Tenteris-Noebe, Anita D.

1997-01-01

The purpose of this research was to control and systematically vary the network topology of bismaleimides through cure temperature and chemistry (addition of various coreactants) and subsequently attempt to determine structure-mechanical property relationships. Characterization of the bismaleimide structures by dielectric, rheological, and thermal analyses, and density measurements was subsequently correlated with mechanical properties such as modulus, yield strength, fracture energy, and stress relaxation. The model material used in this investigation was 4,4'-BismaleiMidodIphenyl methane (BMI). BMI was coreacted with either 4,4'-Methylene Dianiline (MDA), o,o'-diallyl bisphenol A (DABA) from Ciba Geigy, or Diamino Diphenyl Sulfone (DDS). Three cure paths were employed: a low- temperature cure of 140 C where chain extension should predominate, a high-temperature cure of 220 C where both chain extension and crosslinking should occur simultaneously, and a low-temperature (140 C) cure followed immediately by a high-temperature (220 C) cure where the chain extension reaction or amine addition precedes BMI homopolymerization or crosslinking. Samples of cured and postcured PMR-15 were also tested to determine the effects of postcuring on the mechanical properties. The low-temperature cure condition of BMI/MDA exhibited the highest modulus values for a given mole fraction of BMI with the modulus decreasing with decreasing concentration of BMI. The higher elastic modulus is the result of steric hindrance by unreacted BMI molecules in the glassy state. The moduli values for the high- and low/high-temperature cure conditions of BMI/MDA decreased as the amount of diamine increased. All the moduli values mimic the yield strength and density trends. For the high-temperature cure condition, the room- temperature modulus remained constant with decreasing mole fraction of BMT for the BMI/DABA and BMI/DDS systems. Postcuring PMR-15 increases the modulus over that of the cured

Observed properties of extrasolar planets.

PubMed

Howard, Andrew W

2013-05-03

Observational surveys for extrasolar planets probe the diverse outcomes of planet formation and evolution. These surveys measure the frequency of planets with different masses, sizes, orbital characteristics, and host star properties. Small planets between the sizes of Earth and Neptune substantially outnumber Jupiter-sized planets. The survey measurements support the core accretion model, in which planets form by the accumulation of solids and then gas in protoplanetary disks. The diversity of exoplanetary characteristics demonstrates that most of the gross features of the solar system are one outcome in a continuum of possibilities. The most common class of planetary system detectable today consists of one or more planets approximately one to three times Earth's size orbiting within a fraction of the Earth-Sun distance.

Connecting Structure-Property and Structure-Function Relationships across the Disciplines of Chemistry and Biology: Exploring Student Perceptions.

PubMed

Kohn, Kathryn P; Underwood, Sonia M; Cooper, Melanie M

2018-06-01

While many university students take science courses in multiple disciplines, little is known about how they perceive common concepts from different disciplinary perspectives. Structure-property and structure-function relationships have long been considered important explanatory concepts in the disciplines of chemistry and biology, respectively. Fourteen university students concurrently enrolled in introductory chemistry and biology courses were interviewed to explore their perceptions regarding 1) the meaning of structure, properties, and function; 2) the presentation of these concepts in their courses; and 3) how these concepts might be related. Findings suggest that the concepts of structure and properties were interpreted similarly between chemistry and biology, but students more closely associated the discussion of structure-property relationships with their chemistry courses and structure-function with biology. Despite receiving little in the way of instructional support, nine students proposed a coherent conceptual relationship, indicating that structure determines properties, which determine function. Furthermore, students described ways in which they connected and benefited from their understanding. Though many students are prepared to make these connections, we would encourage instructors to engage in cross-disciplinary conversations to understand the shared goals and disciplinary distinctions regarding these important concepts in an effort to better support students unable to construct these connections for themselves.

Antarctic cloud and surface properties: Satellite observations and climate implications

NASA Astrophysics Data System (ADS)

Berque, Joannes

2004-12-01

The radiative effect of clouds in the Antarctic, although small at the top of the atmosphere, is very large within the surface-atmosphere system, and influences a variety of climate processes on a global scale. Because field observations are difficult in the Antarctic interior, satellite observations may be especially valuable in this region; but the remote sensing of clouds and surface properties over the high ice sheets is problematic due to the lack of radiometric contrast between clouds and the snow. A radiative transfer model of the Antarctic snow-atmosphere system is developed, and a new method is proposed for the examination of the problem of cloud properties retrieval from multi-spectral measurements. Key limitations are identified, and a method is developed to overcome them. Using data from the Advanced Very High Resolution Radiometer (AVHRR) onboard National Oceanic and Atmospheric Agency (NOAA) polar orbiters, snow grain size is retrieved over the course of a summer. Significant variability is observed, and it appears related to major precipitation events. A radiative transfer model and a single-column model are used to evaluate the impact of this variability on the Antarctic plateau. The range of observed grain size induces changes of up to 30 Wm-2 on the absorption of shortwave radiation in both models. Cloud properties are then retrieved in summertime imagery of the South Pole. Comparison of model to observations over a wide range of cloud optical depths suggests that this method allows the meaningful interpretation of AVHRR radiances in terms of cloud properties over the Antarctic plateau. The radiative effect of clouds at the top of the atmosphere is evaluated over the South Pole with ground-based lidar observations and data from Clouds and the Earth Radiant Energy System (CERES) onboard NASA's Terra satellite. In accord with previous work, results indicate that the shortwave and net effect are one of cooling throughout the year, while the longwave

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.

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.

[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.

Growth, structure, morphology, and magnetic properties of Ni ferrite films.

PubMed

Dong, Chunhui; Wang, Gaoxue; Guo, Dangwei; Jiang, Changjun; Xue, Desheng

2013-04-27

The morphology, structure, and magnetic properties of nickel ferrite (NiFe2O4) films fabricated by radio frequency magnetron sputtering on Si(111) substrate have been investigated as functions of film thickness. Prepared films that have not undergone post-annealing show the better spinel crystal structure with increasing growth time. Meanwhile, the size of grain also increases, which induces the change of magnetic properties: saturation magnetization increased and coercivity increased at first and then decreased. Note that the sample of 10-nm thickness is the superparamagnetic property. Transmission electron microscopy displays that the film grew with a disorder structure at initial growth, then forms spinel crystal structure as its thickness increases, which is relative to lattice matching between substrate Si and NiFe2O4.

Structural and magnetic properties of ytterbium substituted spinel ferrites

NASA Astrophysics Data System (ADS)

Alonizan, Norah H.; Qindeel, Rabia

2018-06-01

Chemical co-precipitation route adopted to synthesize the magnetic materials. In the present work, iron is replaced by ytterbium ion in manganese-based spinel ferrites. The yield chemically represented by MnYb x Fe2- x O4 ( x = 0.00, 0.025, 0.05, 0.075, 0.10) and its structural, magnetic and electrical properties were observed. The cubic structure of spinel ferrites was confirmed by X-ray diffraction analysis. Spherically shaped grains were perceived in SEM pictures and size lessened with the growth of ytterbium concentration. SEM profile also shows little irregularity in spherical particles. The substitution of ytterbium (Yb) results in the enhancement of electrical resistivity. The resistivity was reduced with the gradual increase in temperature from 303 to 693 K. The trend of activation energy was found to be similar to that of room temperature resistivity. The coercivity of samples was raised with Yb-ion substitution while saturation magnetization and remanence reduced.

Structural characterization and mechanical properties of polypropylene reinforced natural fibers

NASA Astrophysics Data System (ADS)

Karim, M. A. A.; Zaman, I.; Rozlan, S. A. M.; Berhanuddin, N. I. C.; Manshoor, B.; Mustapha, M. S.; Khalid, A.; Chan, S. W.

2017-10-01

Recently the development of natural fiber composite instead of synthetics fiber has lead to eco-friendly product manufacturing to meet various applications in the field of automotive, construction and manufacturing. The use of natural fibers offer an alternative to the reinforcing fibers because of their good mechanical properties, low density, renewability, and biodegradability. In this present research, the effects of maleic anhydride polypropylene (MAPP) on the mechanical properties and material characterization behaviour of kenaf fiber and coir fiber reinforced polypropylene were investigated. Different fractions of composites with 10wt%, 20wt% and 30wt% fiber content were prepared by using brabender mixer at 190°C. The 3wt% MAPP was added during the mixing. The composites were subsequently molded with injection molding to prepare the test specimens. The mechanical properties of the samples were investigated according to ISO 527 to determine the tensile strength and modulus. These results were also confirmed by the SEM machine observations of fracture surface of composites and FTIR analysis of the chemical structure. As the results, the presence of MAPP helps increasing the mechanical properties of both fibers and 30wt% kenaf fiber with 3wt% MAPP gives the best result compare to others.

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.

Hybrid Mixed Media Nonwovens: An Investigation of Structure-Property Relationships

NASA Astrophysics Data System (ADS)

Hollowell, Kendall Birckhead

There have been myriad studies on utilizing bicomponent splittables produced through spunbond/spunlace processes. These production methods have proven to yield microfibers which increase the surface area of the nonwoven structures. There has been recent focus on studying the microfibers within these nonwoven structures as well as using a multiplicity of deniers of fibers within the nonwoven. There have also been studies on producing nonwovens with fibers of differing cross-sectional shapes and diameters. The purpose of this study is to examine the properties of a nonwoven structure, marrying the concepts of multi-denier fibers with multi-shaped fibers in two configurations: three-layer and alternating. The basis for this study will be US Patent 6,964,931 B2 "Method of making Continuous Filament Web with Statistical Filament Distribution" as well as US Patent 7,981,336 B2 "Process of Making Mixed Fibers and Nonwoven Fabrics". This study addresses the melt-spinning and hydroentanglement of nonwoven webs made from bicomponent fibers in three-layer and alternating configurations. The bicomponent cross-sections that will be used include 16-segmented pie and 7-islands-in-the-sea. In this study the establishment of the utility of mixed media nonwovens will take place through property and structure analysis in order to determine the inherent properties of the mixed media structures as well as the structure-property relationships of the nonwoven fabric. Property and structure analysis will also take place on mixed media structures containing poly(lactic acid) as a sacrificial component in the bicomponent fiber after optimizing the removal conditions of the poly(lactic acid) in a sodium hydroxide (NaOH) bath.

Characterization of structure and thermophysical properties of three ESR slags

NASA Astrophysics Data System (ADS)

Plotkowski, A.; deBarbadillo, J.; Krane, Matthew J. M.

2016-07-01

The structure and properties of electroslag remelting (ESR) slags were characterized. Slags samples of three compositions were obtained from industrial remelting processes at Special Metals Corporation and from casting in a laboratory vacuum induction melter. The structure of the slag samples was observed using optical and electron microscopy, and phases were identified and their relative amounts quantified using X-ray diffraction. Laser flash thermal diffusivity, density, and differential scanning calorimetry measurements for specific heat were performed to determine the bulk thermal conductivity of the samples. Sample porosity was measured as a function of depth using a serial sectioning technique, and a onedimensional computational model was developed to estimate the thermal conductivity of the fully dense slags. These results are discussed in context with previous studies, and opportunities for future research are identified. AFRL Case Number: 88ABW-2015-1871.

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.

Structures and Mechanical Properties of Natural and Synthetic Diamonds

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1998-01-01

A revolution in the diamond technology is in progress, as the low-pressure process becomes an industrial reality. It will soon be possible to take advantage of the demanding properties of diamond to develop a myriad of new applications, particularly for self-lubricating, wear-resistant, and superhard coatings. The production of large diamond films or sheets at low cost, a distinct possibility in the not-too-distant future, may drastically change tribology technology, particularly regarding solid lubricants and lubricating materials and systems. This paper reviews the structures and properties of natural and synthetic diamonds to gain a better understanding of the tribological properties of diamond and related materials. Atomic and crystal structure, impurities, mechanical properties, and indentation hardness of diamond are described.

Observed correlations between aerosol and cloud properties in an Indian Ocean trade cumulus regime

NASA Astrophysics Data System (ADS)

Pistone, K.; Praveen, P. S.; Thomas, R. M.; Ramanathan, V.; Wilcox, E.; Bender, F. A.-M.

2015-10-01

There are many contributing factors which determine the micro- and macrophysical properties of clouds, including atmospheric structure, dominant meteorological conditions, and aerosol concentration, all of which may be coupled to one another. In the quest to determine aerosol effects on clouds, these potential relationships must be understood, as changes in atmospheric conditions due to aerosol may change the expected magnitude of indirect effects by altering cloud properties in unexpected ways. Here we describe several observed correlations between aerosol conditions and cloud and atmospheric properties in the Indian Ocean winter monsoon season. In the CARDEX (Cloud, Aerosol, Radiative forcing, Dynamics EXperiment) field campaign conducted in February and March 2012 in the northern Indian Ocean, continuous measurements of atmospheric precipitable water vapor and the liquid water path (LWP) of trade cumulus clouds were made, concurrent with measurements of water vapor flux, cloud and aerosol vertical profiles, meteorological data, and surface and total-column aerosol. Here we present evidence of a positive correlation between aerosol and cloud LWP which becomes clear after the data are filtered to control for the natural meteorological variability in the region. We then use the aircraft and ground observatory measurements to explore the mechanisms behind the observed aerosol-LWP correlation. We determine that increased boundary-layer humidity lowering the cloud base is responsible for the observed increase in cloud liquid water. Large-scale analysis indicates that high pollution cases originate with a highly-polluted boundary layer air mass approaching the observatory from a northwesterly direction. This polluted mass exhibits higher temperatures and humidity than the clean case, the former of which may be attributable to heating due to aerosol absorption of solar radiation over the subcontinent. While high temperature conditions dispersed along with the high

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.

Design and fabrication of planar structures with graded electromagnetic properties

NASA Astrophysics Data System (ADS)

Good, Brandon Lowell

Successfully integrating electromagnetic properties in planar structures offers numerous benefits to the microwave and optical communities. This work aims at formulating new analytic and optimized design methods, creating new fabrication techniques for achieving those methods, and matching appropriate implementation of methods to fabrication techniques. The analytic method consists of modifying an approach that realizes perfect antireflective properties from graded profiles. This method is shown for all-dielectric and magneto-dielectric grading profiles. The optimized design methods are applied to transformer (discrete) or taper (continuous) designs. From these methods, a subtractive and an additive manufacturing technique were established and are described. The additive method, dry powder dot deposition, enables three dimensional varying electromagnetic properties in a structural composite. Combining the methods and fabrication is shown in two applied methodologies. The first uses dry powder dot deposition to design one dimensionally graded electromagnetic profiles in a planar fiberglass composite. The second method simultaneously applies antireflective properties and adjusts directivity through a slab through the use of subwavelength structures to achieve a flat antireflective lens. The end result of this work is a complete set of methods, formulations, and fabrication techniques to achieve integrated electromagnetic properties in planar structures.

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

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.

Tools to Understand Structural Property Relationships for Wood Cell Walls

Treesearch

Joseph E. Jakes; Daniel J. Yelle; Charles R. Frihart

2011-01-01

Understanding structure-property relationships for wood cell walls has been hindered by the complex polymeric structures comprising these cell walls and the difficulty in assessing meaningful mechanical property measurements of individual cell walls. To help overcome these hindrances, we have developed two experimental methods: 1) two-dimensional solution state nuclear...

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.

Oxide Thermoelectric Materials: A Structure-Property Relationship

NASA Astrophysics Data System (ADS)

Nag, Abanti; Shubha, V.

2014-04-01

Recent demand for thermoelectric materials for power harvesting from automobile and industrial waste heat requires oxide materials because of their potential advantages over intermetallic alloys in terms of chemical and thermal stability at high temperatures. Achievement of thermoelectric figure of merit equivalent to unity ( ZT ≈ 1) for transition-metal oxides necessitates a second look at the fundamental theory on the basis of the structure-property relationship giving rise to electron correlation accompanied by spin fluctuation. Promising transition-metal oxides based on wide-bandgap semiconductors, perovskite and layered oxides have been studied as potential candidate n- and p-type materials. This paper reviews the correlation between the crystal structure and thermoelectric properties of transition-metal oxides. The crystal-site-dependent electronic configuration and spin degeneracy to control the thermopower and electron-phonon interaction leading to polaron hopping to control electrical conductivity is discussed. Crystal structure tailoring leading to phonon scattering at interfaces and nanograin domains to achieve low thermal conductivity is also highlighted.

Growth, structure, morphology, and magnetic properties of Ni ferrite films

PubMed Central

2013-01-01

The morphology, structure, and magnetic properties of nickel ferrite (NiFe2O4) films fabricated by radio frequency magnetron sputtering on Si(111) substrate have been investigated as functions of film thickness. Prepared films that have not undergone post-annealing show the better spinel crystal structure with increasing growth time. Meanwhile, the size of grain also increases, which induces the change of magnetic properties: saturation magnetization increased and coercivity increased at first and then decreased. Note that the sample of 10-nm thickness is the superparamagnetic property. Transmission electron microscopy displays that the film grew with a disorder structure at initial growth, then forms spinel crystal structure as its thickness increases, which is relative to lattice matching between substrate Si and NiFe2O4. PMID:23622034

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.

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.

Functionalized coronenes: synthesis, solid structure, and properties.

PubMed

Wu, Di; Zhang, Hua; Liang, Jinhua; Ge, Haojie; Chi, Chunyan; Wu, Jishan; Liu, Sheng Hua; Yin, Jun

2012-12-21

The construction of coronenes using simple building blocks is a challenging task. In this work, triphenylene was used as a building block to construct functionalized coronenes, and their solid structures and optoelectronic properties were investigated. The single crystal structures showed that coronenes have different packing motifs. Their good solubility and photostability make them potential solution-processable candidates for organic devices.

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.

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.

Physical properties of dust particles in different comets inferred from observations and experimental simulations

NASA Astrophysics Data System (ADS)

Hadamcik, E.; Levasseur-Regourd, A. C.

2007-08-01

1.Introduction Remote observations of solar light scattered by cometary dust particles provide information on the dust properties for a large variety of comets, in complement to the exceptional in-situ observations (with or without sample returns). The scattered light is partially linearly polarized, with a polarization degree depending on the geometry of observations (phase angle ?) and on the physical properties of the particles. Differences in polarization have been found in cometary comae, pointing to different physical properties of the dust (e.g. sizes of the grains, of the aggregates, structures and porosities, complex refractive indices) [1, 2]. Such differences, as well as an observed polarimetric wavelength effect, tend to show that large aggregates made of submicron-sized grains could be present in some cometary comae regions [3, 4]. On the opposite, more compact particles seem to be present in other comae regions and/or comets [5, 6]. 2. Results We will present observations of different comets. The variations of the dust properties in the coma and their evolution will be discussed. The results will be compared to the results obtained by other observational techniques. On the images of comet 9P/Tempel 1 (at ?=41°) some hours after Deep Impact, two kinds of dust particles are detected: more compact particles with small velocities and fluffy particles ejected by the impact with larger velocities. On the images of comet 73P/Schwassmann-Wachmann 3, in the tail direction of fragment B, a disruption is observed. The dust coma around fragment C is more symmetric. For both A and B, important dust jets are ejected by the nucleus, which are visible on the intensity images in the solar and antisolar directions, and on the polarization maps. 3. Interpretation and conclusion Numerical (7,8,9) and experimental simulations provide an interpretation of the observations in terms of the physical properties of the particles. Experimental simulations have been performed on

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.

Relationship between critical mechanical properties and age for structural lightweight concrete.

DOT National Transportation Integrated Search

1964-02-25

The necessity to use structural lightweight concrete has created : a need for investigations into its critical mechanical properties that : affect the design and performance of structures. The primary critical : properties were found to be direct ten...

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.

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.

Effect of iron doping on structural and microstructural properties of nanocrystalline ZnSnO3 thin films prepared by spray pyrolysis techniques

NASA Astrophysics Data System (ADS)

Pathan, Idris G.; Suryawanshi, Dinesh N.; Bari, Anil R.; Patil, Lalchand A.

2018-05-01

This work presents the effect of iron doping having different volume ratios (1 ml, 2.5 ml and 5 ml) on the structural, microstructural and electrical properties of zinc stannate thin films, prepared by spray pyrolysis method. These properties were characterized with X-ray diffraction (XRD) and Transmission Electron Microscope (TEM). In our study, XRD pattern indicates that ZnSnO3 has a perovskite phase with face exposed hexahedron structure. The electron diffraction fringes observed are in consistent with the peak observed in XRD patterns. Moreover the sensor reported in our study is cost-effective, user friendly and easy to fabricate.

Derivation of Mars Surface Scattering Properties from OMEGA Spot Pointing Observations

NASA Astrophysics Data System (ADS)

Pinet, P. C.; Daydou, Y.; Cord, A.; Chevrel, S. C.; Poulet, F.; Erard, S.; Bibring, J.-P.; Langevin, Y.; Melchiorri, R.; Bellucci, G.; Altieri, F.; Arvidson, R. E.; OMEGA Co-Investigator Team

2005-03-01

OMEGA emission phase function (EPF) observation shows that one may access from orbit to geology-driven surface scattering properties such as surface roughness. It has implications for spectroscopic interpretation and for CRISM observations to come.

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.

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.

Thermoluminescent properties of nanocrystalline ZnTe thin films: Structural and morphological studies

NASA Astrophysics Data System (ADS)

Rajpal, Shashikant; Kumar, S. R.

2018-04-01

Zinc Telluride (ZnTe) is a binary II-VI direct band gap semiconducting material with cubic structure and having potential applications in different opto-electronic devices. Here we investigated the effects of annealing on the thermoluminescence (TL) of ZnTe thin films. A nanocrystalline ZnTe thin film was successfully electrodeposited on nickel substrate and the effect of annealing on structural, morphological, and optical properties were studied. The TL emission spectrum of as deposited sample is weakly emissive in UV region at ∼328 nm. The variation in the annealing temperature results into sharp increase in emission intensity at ∼328 nm along with appearance of a new peak at ∼437 nm in visible region. Thus, the deposited nanocrystalline ZnTe thin films exhibited excellent thermoluminescent properties upon annealing. Furthermore, the influence of annealing (annealed at 400 °C) on the solid state of ZnTe were also studied by XRD, SEM, EDS, AFM. It is observed that ZnTe thin film annealed at 400 °C after deposition provide a smooth and flat texture suited for optoelectronic applications.

Properties of solid solutions, doped film, and nanocomposite structures based on zinc oxide

NASA Astrophysics Data System (ADS)

Lashkarev, G. V.; Shtepliuk, I. I.; Ievtushenko, A. I.; Khyzhun, O. Y.; Kartuzov, V. V.; Ovsiannikova, L. I.; Karpyna, V. A.; Myroniuk, D. V.; Khomyak, V. V.; Tkach, V. N.; Timofeeva, I. I.; Popovich, V. I.; Dranchuk, N. V.; Khranovskyy, V. D.; Demydiuk, P. V.

2015-02-01

A study of the properties of materials based on the wide bandgap zinc oxide semiconductor, which are promising for application in optoelectronics, photovoltaics and nanoplasmonics. The structural and optical properties of solid solution Zn1-xCdxO films with different cadmium content, are studied. The samples are grown using magnetron sputtering on sapphire backing. Low-temperature photoluminescence spectra revealed emission peaks associated with radiative recombination processes in those areas of the film that have varying amounts of cadmium. X-ray phase analysis showed the presence of a cadmium oxide cubic phase in these films. Theoretical studies of the solid solution thermodynamic properties allowed for a qualitative interpretation of the observed experimental phenomena. It is established that the growth of the homogeneous solid solution film is possible only at high temperatures, whereas regions of inhomogeneous composition can be narrowed through elastic deformation, caused by the mismatch of the film-backing lattice constants. The driving forces of the spinodal decomposition of the Zn1-xCdxO system are identified. Fullerene-like clusters of Znn-xCdxOn are used to calculate the bandgap and the cohesive energy of ZnCdO solid solutions. The properties of transparent conductive ZnO films, doped with Group III donor impurities (Al, Ga, In), are examined. It is shown that oxygen vacancies are responsible for the hole trap centers in the zinc oxide photoconductivity process. We also examine the photoluminescence properties of metal-ZnO nanocomposite structures, caused by surface plasmons.

A short review of nanographenes: structures, properties and applications

NASA Astrophysics Data System (ADS)

Dai, Yafei; Liu, Yi; Ding, Kai; Yang, Jinlong

2018-04-01

Graphene has attracted great interest in the science and technology since it was exfoliated mechanically from the graphite in 2004. Although graphene has various potential applications, its practical applications are constrained enormously by its serious drawbacks, such as zero band gap, tendency of aggregation between layers and hydrophobicity, which mainly caused by the infinite planar hexagonal structure of graphene. Considering that the structural defects in the honeycomb lattice and the edges of graphene break the infinite structure and thus change the properties, which may improve the application efficiency, nanographene (NG) is proposed and attracts extensive attention. In this work, we review the structures of multifarious well-defined NGs synthesised in recent experiments. The effects of the shape, size, edges and substituents of NGs to the properties are discussed in detail and the regulation for various properties of NG is analysed. For the well-defined NGs, including planar and non-planar ones, the challenges and perspectives of their potential applications in nonlinear optical material, gas molecular detector and gas separation material, hydrogen storage material, and hole-transporting material in perovskite solar cells are envisioned.

Three-Dimensional Properties of Coronal Mass Ejections from STEREO/SECCHI Observations

NASA Astrophysics Data System (ADS)

Bosman, E.; Bothmer, V.; Nisticò, G.; Vourlidas, A.; Howard, R. A.; Davies, J. A.

2012-11-01

We identify 565 coronal mass ejections (CMEs) between January 2007 and December 2010 in observations from the twin STEREO/SECCHI/COR2 coronagraphs aboard the STEREO mission. Our list is in full agreement with the corresponding SOHO/LASCO CME Catalog (http://cdaw.gsfc.nasa.gov/CME_list/) for events with angular widths of 45∘ and up. The monthly event rates behave similarly to sunspot rates showing a three- to fourfold rise between September 2009 and March 2010. We select 51 events with well-defined white-light structure and model them as three-dimensional (3D) flux ropes using a forward-modeling technique developed by Thernisien, Howard and Vourlidas (Astrophys. J. 652, 763 - 773, 2006). We derive their 3D properties and identify their source regions. We find that the majority of the CME flux ropes (82 %) lie within 30∘ of the solar equator. Also, 82 % of the events are displaced from their source region, to a lower latitude, by 25∘ or less. These findings provide strong support for the deflection of CMEs towards the solar equator reported in earlier observations, e.g. by Cremades and Bothmer ( Astron. Astrophys. 422, 307 - 322, 2004).

Can thermal instabilities drive galactic precipitation and explain observed circumgalactic structure?

NASA Astrophysics Data System (ADS)

Silvia, Devin

2015-10-01

Understanding the complex nature of the circumgalactic medium (CGM) has been a target of numerous research efforts, both observationally and theoretically. While significant progress has been made in probing the structure and thermodynamic state of the CGM through the detection of metal line absorption systems using the Hubble Space Telescope (HST), a complete picture of the physical mechanisms that produce the observed properties does not yet exist. Recent theoretical work has suggested that a delicate balance between radiative cooling and thermal feedback detemines whether or not the CGM is capable of sustaining a stable, multiphase medium that would allow cool clouds to precipitate out of the galactic halo. This new theoretical framework may provide the explanation for many observational results. In this project, we will detemine whether or not this elegant and simple precipitation model can be supported by physics-rich numerical simulations of isolated galaxies. We will use our simulations to gain a deeper understanding of the precipitation model and explore the ionization and temperature stucture of the CGM. Our analysis will include the comparison of realistic synthetic spectra to those produced by HST, using the newly-developed Trident software package.

Observations of Co-variation in Cloud Properties and their Relationships with Atmospheric State

NASA Astrophysics Data System (ADS)

Sinclair, K.; van Diedenhoven, B.; Fridlind, A. M.; Arnold, T. G.; Yorks, J. E.; Heymsfield, G. M.; McFarquhar, G. M.; Um, J.

2017-12-01

Radiative properties of upper tropospheric ice clouds are generally not well represented in global and cloud models. Cloud top height, cloud thermodynamic phase, cloud optical thickness, cloud water path, particle size and ice crystal shape all serve as observational targets for models to constrain cloud properties. Trends or biases in these cloud properties could have profound effects on the climate since they affect cloud radiative properties. Better understanding of co-variation between these cloud properties and linkages with atmospheric state variables can lead to better representation of clouds in models by reducing biases in their micro- and macro-physical properties as well as their radiative properties. This will also enhance our general understanding of cloud processes. In this analysis we look at remote sensing, in situ and reanalysis data from the MODIS Airborne Simulator (MAS), Cloud Physics Lidar (CPL), Cloud Radar System (CRS), GEOS-5 reanalysis data and GOES imagery obtained during the Tropical Composition, Cloud and Climate Coupling (TC4) airborne campaign. The MAS, CPL and CRS were mounted on the ER-2 high-altitude aircraft during this campaign. In situ observations of ice size and shape were made aboard the DC8 and WB57 aircrafts. We explore how thermodynamic phase, ice effective radius, particle shape and radar reflectivity vary with altitude and also investigate how these observed cloud properties vary with cloud type, cloud top temperature, relative humidity and wind profiles. Observed systematic relationships are supported by physical interpretations of cloud processes and any unexpected differences are examined.

Electronic structure and properties of lanthanum

NASA Astrophysics Data System (ADS)

Nixon, Lane; Papaconstantopoulos, Dimitrios

2008-03-01

The total energy and electronic structure of lanthanum have been calculated in the bcc, fcc, hcp and dhcp structures for pressures up to 50 GPa. The full potential linearized-augmented-planewave method was used with both the local-density and general-gradient approximations. The correct phase ordering has been found, with lattice parameters and bulk moduli in good agreement with experimental data. The GGA method shows excellent agreement overall while the LDA results show larger discrepancies. The calculated strain energies for the fcc and bcc structures demonstrate the respective stable and unstable configurations at ambient conditions. The calculated superconductivity properties under pressure for the fcc structure are also found to agree well with measurements. Both LDA and GGA, with minor differences, reproduce well the experimental results for Tc.

Relationship between mechanical properties and crystal structure in cocrystals and salt of paracetamol.

PubMed

Ahmed, Hamzah; Shimpi, Manishkumar R; Velaga, Sitaram P

2017-01-01

Objectives were to study mechanical properties of various solid forms of paracetamol and relate to their crystal structures. Paracetamol form I (PRA), its cocrystals with oxalic acid (PRA-OXA) and 4,4-bipyridine (PRA-BPY) and hydrochloride salt (PRA-HCL) were selected. Cocrystals and salt were scaled-up using rational crystallization methods. The resulting materials were subjected to different solid-state characterizations. The powders were sieved and 90-360 µm sieve fraction was considered. These powders were examined by scanning electron microscopy (SEM) and densities were determined. Tablets were made at applied pressures of 35-180 MPa under controlled conditions and the tablet height, diameter and hardness were measured. Tensile strength and porosity of the tablets were estimated using well known models. Crystal structures of these systems were visualized and slip planes were identified. Cocrystal and salt of PRA were physically pure. Sieved powders had comparable morphologies and particle size. The apparent and theoretical densities of powders were similar, but no clear trends were observed. The tensile strengths of these compacts were increased with increasing pressure whereas tabletability decreased in the order oxalic acid > PRA-HCL ≈ PRA-OXA > BPY > PRA-BPY. Tablet tensile strength decreases exponentially with increasing porosity with the exception of PRY-BPY and BPY. Slip plane prediction based on attachment energies may not be independently considered. However, it was possible to explain the improved mechanical properties of powders based on the crystal structure. Cocrystallization and salt formation have introduced structural features that are responsible for improved tableting properties of PRA.

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

Structure-property relationship of supramolecular ferroelectric [H-66dmbp][Hca] accompanied by high polarization, competing structural phases, and polymorphs.

PubMed

Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Kagawa, Fumitaka; Murakami, Youichi; Kumai, Reiji

2014-12-22

Three polymorphic forms of 6,6'-dimethyl-2,2'-bipyridinium chloranilate crystals were characterized to understand the origin of polarization properties and the thermal stability of ferroelectricity. According to the temperature-dependent permittivity, differential scanning calorimetry, and X-ray diffraction, structural phase transitions were found in all polymorphs. Notably, the ferroelectric α-form crystal, which has the longest hydrogen bond (2.95 Å) among the organic acid/base-type supramolecular ferroelectrics, transformed from a polar structure (space group, P21) into an anti-polar structure (space group, P21/c) at 378 K. The non-ferroelectric β- and γ-form crystals also exhibited structural rearrangements around hydrogen bonds. The hydrogen-bonded geometry and ferroelectric properties were compared with other supramolecular ferroelectrics. A positive relationship between the phase-transition temperature (TC ) and hydrogen-bond length () was observed, and was attributed to the potential barrier height for proton off-centering or order/disorder phenomena. The optimized spontaneous polarization (Ps ) agreed well with the results of the first-principles calculations, and could be amplified by separating the two equilibrium positions of protons with increasing . These data consistently demonstrated that stretching is a promising way to enhance the polarization performance and thermal stability of hydrogen-bonded organic ferroelectrics. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Inert-Gas Condensed Co-W Nanoclusters: Formation, Structure and Magnetic Properties

NASA Astrophysics Data System (ADS)

Golkar-Fard, Farhad Reza

Rare-earth permanent magnets are used extensively in numerous technical applications, e.g. wind turbines, audio speakers, and hybrid/electric vehicles. The demand and production of rare-earth permanent magnets in the world has in the past decades increased significantly. However, the decrease in export of rare-earth elements from China in recent time has led to a renewed interest in developing rare-earth free permanent magnets. Elements such as Fe and Co have potential, due to their high magnetization, to be used as hosts in rare-earth free permanent magnets but a major challenge is to increase their magnetocrystalline anisotropy constant, K1, which largely drives the coercivity. Theoretical calculations indicate that dissolving the 5d transition metal W in Fe or Co increases the magnetocrystalline anisotropy. The challenge, though, is in creating a solid solution in hcp Co or bcc Fe, which under equilibrium conditions have negligible solubility. In this dissertation, the formation, structure, and magnetic properties of sub-10 nm Co-W clusters with W content ranging from 4 to 24 atomic percent were studied. Co-W alloy clusters with extended solubility of W in hcp Co were produced by inert gas condensation. The different processing conditions such as the cooling scheme and sputtering power were found to control the structural state of the as-deposited Co-W clusters. For clusters formed in the water-cooled formation chamber, the mean size and the fraction crystalline clusters increased with increasing power, while the fraction of crystalline clusters formed in the liquid nitrogen-cooled formation chamber was not as affected by the sputtering power. For the low W content clusters, the structural characterization revealed clusters predominantly single crystalline hcp Co(W) structure, a significant extension of W solubility when compared to the equilibrium solubility, but fcc Co(W) and Co3W structures were observed in very small and large clusters, respectively. At high

Structure for Storing Properties of Particles (PoP)

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

Patel, N. R.; Mattoon, C. M.; Beck, B. R.

2014-06-01

Some evaluated nuclear databases are critical for applications such as nuclear energy, nuclear medicine, homeland security, and stockpile stewardship. Particle masses, nuclear excitation levels, and other “Properties of Particles” are essential for making evaluated nuclear databases. Currently, these properties are obtained from various databases that are stored in outdated formats. Moreover, the “Properties of Particles” (PoP) structure is being designed that will allow storing all information for one or more particles in a single place, so that each evaluation, simulation, model calculation, etc. can link to the same data. Information provided in PoP will include properties of nuclei, gammas andmore » electrons (along with other particles such as pions, as evaluations extend to higher energies). Presently, PoP includes masses from the Atomic Mass Evaluation version 2003 (AME2003), and level schemes and gamma decays from the Reference Input Parameter Library (RIPL-3). The data are stored in a hierarchical structure. An example of how PoP stores nuclear masses and energy levels will be presented here.« less

Structure for Storing Properties of Particles (PoP)

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

Patel, N.R., E-mail: infinidhi@llnl.gov; Mattoon, C.M.; Beck, B.R.

2014-06-15

Evaluated nuclear databases are critical for applications such as nuclear energy, nuclear medicine, homeland security, and stockpile stewardship. Particle masses, nuclear excitation levels, and other “Properties of Particles” are essential for making evaluated nuclear databases. Currently, these properties are obtained from various databases that are stored in outdated formats. A “Properties of Particles” (PoP) structure is being designed that will allow storing all information for one or more particles in a single place, so that each evaluation, simulation, model calculation, etc. can link to the same data. Information provided in PoP will include properties of nuclei, gammas and electrons (alongmore » with other particles such as pions, as evaluations extend to higher energies). Presently, PoP includes masses from the Atomic Mass Evaluation version 2003 (AME2003), and level schemes and gamma decays from the Reference Input Parameter Library (RIPL-3). The data are stored in a hierarchical structure. An example of how PoP stores nuclear masses and energy levels will be presented here.« less

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.

Development and Validation of the Implicit Information from Lewis Structures Instrument(IILSI): Do Students Connect Structures with Properties?

ERIC Educational Resources Information Center

Cooper, Melanie M.; Underwood, Sonia M.; Hilley, Caleb Z.

2012-01-01

Lewis structures are a simplified two dimensional "cartoon" of molecular structure that allow a knowledgeable user to predict the types of properties a particular substance may exhibit. However, prior research shows that many students fail to recognize these structure-property connections and are unable to decode the information…

Evaluation of Rotor Structural and Aerodynamic Loads using Measured Blade Properties

NASA Technical Reports Server (NTRS)

Jung, Sung N.; You, Young-Hyun; Lau, Benton H.; Johnson, Wayne; Lim, Joon W.

2012-01-01

The structural properties of Higher harmonic Aeroacoustic Rotor Test (HART I) blades have been measured using the original set of blades tested in the wind tunnel in 1994. A comprehensive rotor dynamics analysis is performed to address the effect of the measured blade properties on airloads, blade motions, and structural loads of the rotor. The measurements include bending and torsion stiffness, geometric offsets, and mass and inertia properties of the blade. The measured properties are correlated against the estimated values obtained initially by the manufacturer of the blades. The previously estimated blade properties showed consistently higher stiffnesses, up to 30% for the flap bending in the blade inboard root section. The measured offset between the center of gravity and the elastic axis is larger by about 5% chord length, as compared with the estimated value. The comprehensive rotor dynamics analysis was carried out using the measured blade property set for HART I rotor with and without HHC (Higher Harmonic Control) pitch inputs. A significant improvement on blade motions and structural loads is obtained with the measured blade properties.

Biases and systematics in the observational derivation of galaxy properties: comparing different techniques on synthetic observations of simulated galaxies

NASA Astrophysics Data System (ADS)

Guidi, Giovanni; Scannapieco, Cecilia; Walcher, C. Jakob

2015-12-01

We study the sources of biases and systematics in the derivation of galaxy properties from observational studies, focusing on stellar masses, star formation rates, gas and stellar metallicities, stellar ages, magnitudes and colours. We use hydrodynamical cosmological simulations of galaxy formation, for which the real quantities are known, and apply observational techniques to derive the observables. We also analyse biases that are relevant for a proper comparison between simulations and observations. For our study, we post-process the simulation outputs to calculate the galaxies' spectral energy distributions (SEDs) using stellar population synthesis models and also generate the fully consistent far-UV-submillimetre wavelength SEDs with the radiative transfer code SUNRISE. We compared the direct results of simulations with the observationally derived quantities obtained in various ways, and found that systematic differences in all studied galaxy properties appear, which are caused by: (1) purely observational biases, (2) the use of mass-weighted and luminosity-weighted quantities, with preferential sampling of more massive and luminous regions, (3) the different ways of constructing the template of models when a fit to the spectra is performed, and (4) variations due to different calibrations, most notably for gas metallicities and star formation rates. Our results show that large differences can appear depending on the technique used to derive galaxy properties. Understanding these differences is of primary importance both for simulators, to allow a better judgement of similarities and differences with observations, and for observers, to allow a proper interpretation of the data.

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.

Reversible Structural Swell-Shrink and Recoverable Optical Properties in Hybrid Inorganic-Organic Perovskite.

PubMed

Zhang, Yupeng; Wang, Yusheng; Xu, Zai-Quan; Liu, Jingying; Song, Jingchao; Xue, Yunzhou; Wang, Ziyu; Zheng, Jialu; Jiang, Liangcong; Zheng, Changxi; Huang, Fuzhi; Sun, Baoquan; Cheng, Yi-Bing; Bao, Qiaoliang

2016-07-26

Ion migration in hybrid organic-inorganic perovskites has been suggested to be an important factor for many unusual behaviors in perovskite-based optoelectronics, such as current-voltage hysteresis, low-frequency giant dielectric response, and the switchable photovoltaic effect. However, the role played by ion migration in the photoelectric conversion process of perovskites is still unclear. In this work, we provide microscale insights into the influence of ion migration on the microstructure, stability, and light-matter interaction in perovskite micro/nanowires by using spatially resolved optical characterization techniques. We observed that ion migration, especially the migration of MA(+) ions, will induce a reversible structural swell-shrink in perovskites and recoverably affect the reflective index, quantum efficiency, light-harvesting, and photoelectric properties. The maximum ion migration quantity in perovskites was as high as approximately 30%, resulting in lattice swell or shrink of approximately 4.4%. Meanwhile, the evidence shows that ion migration in perovskites could gradually accelerate the aging of perovskites because of lattice distortion in the reversible structural swell-shrink process. Knowledge regarding reversible structural swell-shrink and recoverable optical properties may shed light on the development of optoelectronic and converse piezoelectric devices based on perovskites.

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.

Structure and property correlations in FeS

NASA Astrophysics Data System (ADS)

Kuhn, S. J.; Kidder, M. K.; Parker, D. S.; dela Cruz, C.; McGuire, M. A.; Chance, W. M.; Li, Li; Debeer-Schmitt, L.; Ermentrout, J.; Littrell, K. C.; Eskildsen, M. R.; Sefat, A. S.

2017-03-01

For iron-sulfide (FeS), we investigate the correlation between the structural details, including its dimensionality and composition, with its magnetic and superconducting properties. We compare, theoretically and experimentally, the two-dimensional (2D) layered tetragonal (;t-FeS;) phase with the 3D hexagonal ("h-FeS") phase. X-ray diffraction reveals iron-deficient chemical compositions of t-Fe0.93(1)S and h-Fe0.84(1)S that show no low-temperature structural transitions. First-principles calculations reveal a high sensitivity of the 2D structure to the electronic and magnetic properties, predicting marginal antiferromagnetic instability for our compound (sulfur height of zS = 0.252) with an ordering energy of about 11 meV/Fe, while the 3D phase is magnetically stable. Experimentally, h-Fe0.84S orders magnetically well above room temperature, while t-Fe0.93S shows coexistence of antiferromagnetism at TN = 116 and filamentary superconductivity below Tc = 4 K. Low temperature neutron diffraction data reveals antiferromagnetic commensurate ordering with wave vector km = (0.25,0.25,0) and 0.46(2) μB/Fe. Additionally, neutron scattering measurements were used to find the particle size and iron vacancy arrangement of t-FeS and h-FeS. The structure of iron sulfide has a delicate relationship with the superconducting transition; while our sample with a = 3.6772(7) Å is a filamentary superconductor coexisting with an antiferromagnetic phase, previously reported samples with a > 3.68 Å are bulk superconductors with no magnetism, and those with a ≈ 3.674 Å show magnetic properties.

Structure-Property Relationship in High Tg Thermosetting Polyimides

NASA Technical Reports Server (NTRS)

Chuang, Kathy C.; Meador, Mary Ann B.; HardyGreen, DeNise

2000-01-01

This viewgraph presentation gives an overview of the structure-property relationship in high glass transition temperatures (T(sub g)) thermosetting polyimides. The objectives of this work are to replace MDA in PMR-15 with 2,2-substituted benzidine and to evaluate the thermo-oxidative stability and mechanical properties of DMBZ-15 against PMR-15. Details are given on the T(sub g) of polyimide resins, the x-ray crystal structure of 2,2-Bis(trifluoro)benzidine (BFBZ), the isothermal aging of polyimide resins at 288 C under 1 atm of circulating air, the compressive strength of polyimide composites, and a gas evaluation profile of DMBZ-15 polyimide resins.

Properties of Ferroelectric Perovskite Structures under Non-equilibrium Conditions

NASA Astrophysics Data System (ADS)

Zhang, Qingteng

Ferroelectric materials have received lots of attention thanks to their intriguing properties such as the piezoelectric and pyroelectric effects, as well as the large dielectric constants and the spontaneous polarization which can potentially be used for information storage. In particular, perovskite crystal has a very simple unit cell structure yet a very rich phase transition diagram, which makes it one of the most intensively studied ferroelectric materials. In this dissertation, we use effective Hamiltonian, a first-principles-based computational technique to study the finite-temperature properties of ferroelectric perovskites. We studied temperature-graded (BaxSr 1-x)TiO3 (BST) bulk alloys as well as the dynamics of nanodomain walls (nanowalls) in Pb(Zr xTi1-x)O 3 (PZT) ultra-thin films under the driving force of an AC field. Our computations suggest that, for the temperature-graded BST, the polarization responds to the temperature gradient (TG), with the "up" and "down" offset observed in polarization components along the direction of TG, in agreement with the findings from experiments. For the nanowalls in PZT, the dynamics can be described by the damped-harmonic-oscillator model, and we observed a size-driven transition from resonance to relaxational dynamics at a critical thickness of 7.2 nm. The transition originates from the change in the effective mass of a nanowall as a film thickness increases. Some of the findings may find potential applications in various devices, such as thermal sensors, energy converters, or novel memory units.

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.

Structural and dynamical properties of recombining ultracold neutral plasma

NASA Astrophysics Data System (ADS)

Tiwari, Sanat Kumar; Shaffer, Nathaniel R.; Baalrud, Scott D.

2017-10-01

An ultracold plasma (UCP) is an evolving collection of free charges and bound charges (Rydberg atoms). Over time, bound species concentration increases due to recombination. We present the structural and dynamical properties of an evolving UCP using classical molecular dynamics simulation. Coulomb collapse is avoided using a repulsive core with the attractive Coulomb potential. The repulsive core size controls the concentration of bound states, as it determines the depth of the potential well between opposite charges. We vary the repulsive core size to emulate the quasi-static state of plasma at different time during the evolution. Binary, chain and ring-like bound states are observed in the simulation carried out at different coupling strengths and repulsive core size. The effect of bound states can be seen as molecular peaks in the radial distribution function (RDF). The thermodynamic properties associated with the free charges can be analyzed from RDF by separating free from bound states. These bound states also change the dynamical properties of the plasma. The electron velocity auto-correlation displays oscillations due to the orbital motion in bound states. These bound states act like a neutral species, damping electron plasmon modes and broadening the ion acoustic mode. This work is supported by AFOSR Grant Number FA9550-16-1-0221. It used computational resources by XSEDE, which is supported by NSF Grant Number ACI-1053575.

Mg/Ti multilayers: Structural and hydrogen absorption properties

NASA Astrophysics Data System (ADS)

Baldi, A.; Pálsson, G. K.; Gonzalez-Silveira, M.; Schreuders, H.; Slaman, M.; Rector, J. H.; Krishnan, G.; Kooi, B. J.; Walker, G. S.; Fay, M. W.; Hjörvarsson, B.; Wijngaarden, R. J.; Dam, B.; Griessen, R.

2010-06-01

Mg-Ti alloys have uncommon optical and hydrogen absorbing properties, originating from a “spinodal-like” microstructure with a small degree of chemical short-range order in the atomic distribution. In the present study we artificially engineer short-range order by depositing Pd-capped Mg/Ti multilayers with different periodicities. Notwithstanding the large lattice mismatch between Mg and Ti, the as-deposited metallic multilayers show good structural coherence. On exposure to H2 gas a two-step hydrogenation process occurs with the Ti layers forming the hydride before Mg. From in situ measurements of the bilayer thickness Λ at different hydrogen pressures, we observe large out-of-plane expansions of Mg and Ti layers on hydrogenation, indicating strong plastic deformations in the films and a consequent shortening of the coherence length. On unloading at room temperature in air, hydrogen atoms remain trapped in the Ti layers due to kinetic constraints. Such loading/unloading sequence can be explained in terms of the different thermodynamic properties of hydrogen in Mg and Ti, as shown by diffusion calculations on a model multilayered systems. Absorption isotherms measured by hydrogenography can be interpreted as a result of the elastic clamping arising from strongly bonded Mg/Pd and broken Mg/Ti interfaces.

Structure-property relationships in polymers for dielectric capacitors

NASA Astrophysics Data System (ADS)

Gupta, Sahil

Effective energy storage is a key challenge of the 21st century that has fueled research in the area of energy storage devices. In this dissertation, structure-property relationships have been evaluated for polymers that might be suitable for storing energy in high-energy density, high-temperature capacitors. Firstly, hydroxyl-modified polypropylenes (PPOH) were synthesized by copolymerization of the propylene and undecenyloxytrimethylsilane monomers. The presence of H-bonding in PPOH copolymers increased their glass-transition temperature. Steric hindrance by the comonomer reduced the PP crystal growth rate and crystal size, resulting in a melting point depression. The comonomer was restricted outside the crystalline domains leaving the alpha-monoclinic crystal structure of PP unaffected, but increasing the fold-surface free energy. Crystallization was slower for PPOH copolymers than PP, but exhibited a skewed bell curve as a function of hydroxyl concentration. H-bonding persisted even at melt temperatures up to 250°C resulting in a higher elasticity and viscosity for PPOH copolymers. Secondly, sulfonated poly(ether ether ketone) (HSPEEK) was synthesized by sulfonating PEEK with sulfuric acid, and further neutralized with Zn to obtain ZnSPEEK. The thermal and dielectric properties of SPEEK were compared with PEEK. The glass-transition increased and melting point were high enough to enable the use of polymer at 180°C. The incorporation of sulfonic groups in PEEK increased the dielectric constant. HSPEEK had a higher dielectric constant than ZnSPEEK due to higher dipolar mobility, but the dielectric loss was also higher for HSPEEK due to electrode polarization and DC conduction. These results were consistent with our observations from sulfonated polystyrene (HSPS), which was used as a >model&lang' polymer. Lastly, commercial poly(4-methyl-1-pentene) (P4MP) was characterized to check its viability as a high-temperature polymer dielectric. Thermal stability up to

Observing and modelling phytoplankton community structure in the North Sea

NASA Astrophysics Data System (ADS)

Ford, David A.; van der Molen, Johan; Hyder, Kieran; Bacon, John; Barciela, Rosa; Creach, Veronique; McEwan, Robert; Ruardij, Piet; Forster, Rodney

2017-03-01

Phytoplankton form the base of the marine food chain, and knowledge of phytoplankton community structure is fundamental when assessing marine biodiversity. Policy makers and other users require information on marine biodiversity and other aspects of the marine environment for the North Sea, a highly productive European shelf sea. This information must come from a combination of observations and models, but currently the coastal ocean is greatly under-sampled for phytoplankton data, and outputs of phytoplankton community structure from models are therefore not yet frequently validated. This study presents a novel set of in situ observations of phytoplankton community structure for the North Sea using accessory pigment analysis. The observations allow a good understanding of the patterns of surface phytoplankton biomass and community structure in the North Sea for the observed months of August 2010 and 2011. Two physical-biogeochemical ocean models, the biogeochemical components of which are different variants of the widely used European Regional Seas Ecosystem Model (ERSEM), were then validated against these and other observations. Both models were a good match for sea surface temperature observations, and a reasonable match for remotely sensed ocean colour observations. However, the two models displayed very different phytoplankton community structures, with one better matching the in situ observations than the other. Nonetheless, both models shared some similarities with the observations in terms of spatial features and inter-annual variability. An initial comparison of the formulations and parameterizations of the two models suggests that diversity between the parameter settings of model phytoplankton functional types, along with formulations which promote a greater sensitivity to changes in light and nutrients, is key to capturing the observed phytoplankton community structure. These findings will help inform future model development, which should be coupled

Hybrid structure of biotemplate-zinc-tin oxide for better optical, morphological and photocatalytic properties

NASA Astrophysics Data System (ADS)

Karpuraranjith, M.; Thambidurai, S.

2017-03-01

A new chitosan (as biotemplate)-zinc-tin oxide hybrid structure was successfully synthesized by a chemical precipitation method and annealed at 500 °C. We studied the structural changes, optical, thermal and photo catalytic properties. The chemical bonding of the Zn-O and Sn-O-Sn functional groups were confirmed by FT-IR absorption peaks appearing at 538 and 635 cm-1. The different ratio of ZnO to SnO2 particles on the biotemplate matrix altered the morphology of the hybrids from an agglomerated state to a microcrystalline form confirmed by HR-SEM and TEM analysis. The formation of a Zn0.15Sn0.85O hybrid structure was observed in the visible light region, with an energy band gap of ˜3.19 eV and higher surface area of 98 m2 g-1. The thermal property shows that CS-Zn0.15Sn0.85O has a higher thermal stability than a CS-Zn0.25Sn0.75O hybrid structure. The results demonstrate that the biotemplate-zinc-tin oxide hybrid structure has a reinforced effect compared to the other components. Therefore, a biotemplate-based zinc-tin oxide hybrid structure could be a promising material for better dye removal efficiency, which was obtained for ˜100 and 96% with MB and RY-15 dyes.

Search by photo methodology for signature properties assessment by human observers

NASA Astrophysics Data System (ADS)

Selj, Gorm K.; Heinrich, Daniela H.

2015-05-01

Reliable, low-cost and simple methods for assessment of signature properties for military purposes are very important. In this paper we present such an approach that uses human observers in a search by photo assessment of signature properties of generic test targets. The method was carried out by logging a large number of detection times of targets recorded in relevant terrain backgrounds. The detection times were harvested by using human observers searching for targets in scene images shown by a high definition pc screen. All targets were identically located in each "search image", allowing relative comparisons (and not just rank by order) of targets. To avoid biased detections, each observer only searched for one target per scene. Statistical analyses were carried out for the detection times data. Analysis of variance was chosen if detection times distribution associated with all targets satisfied normality, and non-parametric tests, such as Wilcoxon's rank test, if otherwise. The new methodology allows assessment of signature properties in a reproducible, rapid and reliable setting. Such assessments are very complex as they must sort out what is of relevance in a signature test, but not loose information of value. We believe that choosing detection times as the primary variable for a comparison of signature properties, allows a careful and necessary inspection of observer data as the variable is continuous rather than discrete. Our method thus stands in opposition to approaches based on detections by subsequent, stepwise reductions in distance to target, or based on probability of detection.

Density functional theory study of structural and electronic properties of trans and cis structures of thiothixene as a nano-drug.

PubMed

Noori Tahneh, Akram; Bagheri Novir, Samaneh; Balali, Ebrahim

2017-11-25

The geometrical structure, electronic and optical properties, electronic absorption spectra, vibrational frequencies, natural charge distribution, MEP analysis and thermodynamic properties of the trans and cis structures of the drug thiothixene were investigated using density functional theory (DFT) and time-dependent DFT (TDDFT) methods with the B3LYP hybrid functional and 6-311 + G(d,p) basis set. The results of the calculations demonstrate that the cis structure of thiothixene has appropriate quantum properties that can act as an active medicine. The relative energies of trans and cis structures of thiothixene shows that the cis structure is more stable than the trans structure, with a small energy difference. TDDFT calculations show that the cis structure of thiothixene has the best absorption properties. The calculated NLO properties show that the NLO properties of the cis structure of thiothixene are higher than the trans structure, and the fact that the chemical hardness of the cis structure is lower than that of the trans structure that indicates that the reactivity and charge transfer of the cis isomer of thiothixene is higher than that of trans thiothixene. The molecular electrostatic potential (MEP) maps of both structures of thiothixene demonstrate that the oxygen atoms of the molecule are appropriate areas for electrophilic reactions. The vibrational frequencies of the two conformations of thiothixene demonstrate that both structures of thiothixene have almost similar modes of vibrations. The calculated thermodynamic parameters show that these quantities increase with enhancing temperature due to the enhancement of molecular vibrational intensities with temperature. Graphical abstract Trans/Cis isomerization of thiothixene drug.

Profiling of Saharan dust from the Caribbean to western Africa - Part 1: Layering structures and optical properties from shipborne polarization/Raman lidar observations

NASA Astrophysics Data System (ADS)

Rittmeister, Franziska; Ansmann, Albert; Engelmann, Ronny; Skupin, Annett; Baars, Holger; Kanitz, Thomas; Kinne, Stefan

2017-11-01

We present final and quality-assured results of multiwavelength polarization/Raman lidar observations of the Saharan air layer (SAL) over the tropical Atlantic. Observations were performed aboard the German research vessel R/V Meteor during the 1-month transatlantic cruise from Guadeloupe to Cabo Verde over 4500 km from 61.5 to 20° W at 14-15° N in April-May 2013. First results of the shipborne lidar measurements, conducted in the framework of SALTRACE (Saharan Aerosol Long-range Transport and Aerosol-Cloud Interaction Experiment), were reported by Kanitz et al.(2014). Here, we present four observational cases representing key stages of the SAL evolution between Africa and the Caribbean in detail in terms of layering structures and optical properties of the mixture of predominantly dust and aged smoke in the SAL. We discuss to what extent the lidar results confirm the validity of the SAL conceptual model which describes the dust long-range transport and removal processes over the tropical Atlantic. Our observations of a clean marine aerosol layer (MAL, layer from the surface to the SAL base) confirm the conceptual model and suggest that the removal of dust from the MAL, below the SAL, is very efficient. However, the removal of dust from the SAL assumed in the conceptual model to be caused by gravitational settling in combination with large-scale subsidence is weaker than expected. To explain the observed homogenous (height-independent) dust optical properties from the SAL base to the SAL top, from the African coast to the Caribbean, we have to assume that the particle sedimentation strength is reduced and dust vertical mixing and upward transport mechanisms must be active in the SAL. Based on lidar observations on 20 nights at different longitudes in May 2013, we found, on average, MAL and SAL layer mean values (at 532 nm) of the extinction-to-backscatter ratio (lidar ratio) of 17±5 sr (MAL) and 43±8 sr (SAL), of the particle linear depolarization ratio of 0

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.

Investigating the Synthesis, Structure, and Catalytic Properties of Versatile Gold-Based Nanocatalvsts

NASA Astrophysics Data System (ADS)

Pretzer, Lori A.

Transition metal nanomaterials are used to catalyze many chemical reactions, including those key to environmental, medicinal, and petrochemical fields. Improving their catalytic properties and lifetime would have significant economic and environmental rewards. Potentially expedient options to make such advancements are to alter the shape, size, or composition of transition metal nanocatalysts. This work investigates the relationships between structure and catalytic properties of synthesized Au, Pd-on-Au, and Au-enzyme model transition metal nanocatalysts. Au and Pd-on-Au nanomaterials were studied due to their wide-spread application and structure-dependent electronic and geometric properties. The goal of this thesis is to contribute design procedures and synthesis methods that enable the preparation of more efficient transition metal nanocatalysts. The influence of the size and composition of Pd-on-Au nanoparticles (NPs) was systematically investigated and each was found to affect the catalyst's surface structure and catalytic properties. The catalytic hydrodechlorination of trichloroethene and reduction of 4-nitrophenol by Pd-on-Au nanoparticles were investigated as these reactions are useful for environmental and pharmaceutical synthesis applications, respectively. Structural characterization revealed that the dispersion and oxidation state of surface Pd atoms are controlled by the Au particle size and concentration of Pd. These structural changes are correlated with observed Pd-on-Au NP activities for both probe reactions, providing new insight into the structure-activity relationships of bimetallic nanocatalysts. Using the structure-dependent electronic properties of Au NPs, a new type of light-triggered biocatalyst was prepared and used to remotely control a model biochemical reaction. This biocatalyst consists of a model thermophilic glucokinase enzyme covalently attached to the surface of Au nanorods. The rod-like shape of the Au nanoparticles made the

AIP1OGREN: Aerosol Observing Station Intensive Properties Value-Added Product

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

Koontz, Annette; Flynn, Connor

The aip1ogren value-added product (VAP) computes several aerosol intensive properties. It requires as input calibrated, corrected, aerosol extensive properties (scattering and absorption coefficients, primarily) from the Aerosol Observing Station (AOS). Aerosol extensive properties depend on both the nature of the aerosol and the amount of the aerosol. We compute several properties as relationships between the various extensive properties. These intensive properties are independent of aerosol amount and instead relate to intrinsic properties of the aerosol itself. Along with the original extensive properties we report aerosol single-scattering albedo, hemispheric backscatter fraction, asymmetry parameter, and Ångström exponent for scattering and absorption withmore » one-minute averaging. An hourly averaged file is produced from the 1-minute files that includes all extensive and intensive properties as well as submicron scattering and submicron absorption fractions. Finally, in both the minutely and hourly files the aerosol radiative forcing efficiency is provided.« less

Structural, stability, and vibrational properties of BinPm clusters

NASA Astrophysics Data System (ADS)

Shen, Wanting; Han, Lihong; Liang, Dan; Zhang, Chunfang; Ruge, Quhe; Wang, Shumin; Lu, Pengfei

2018-04-01

An in-depth investigation is performed on stability mechanisms, electronic and optical properties of III-V semiconductor vapor phases clusters. First principles electronic structure calculations of CAM-B3LYP are performed on neutral BinPm (n + m ≤ 14) clusters. The geometrical evolution of all stable structures remains amorphous as the clusters size increases. Binding energies (BEs), energy gains and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO-LUMO) gaps confirm that all four-atom structures of BinPm clusters have more stable optical properties. Orbitals composition and vibrational spectra of stable clusters are analyzed. Our calculations will contribute to the study of diluted bismuth alloys and compounds.

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

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.

Bioinspired Cellular Structures: Additive Manufacturing and Mechanical Properties

NASA Astrophysics Data System (ADS)

Stampfl, J.; Pettermann, H. E.; Liska, R.

Biological materials (e.g., wood, trabecular bone, marine skeletons) rely heavily on the use of cellular architecture, which provides several advantages. (1) The resulting structures can bear the variety of "real life" load spectra using a minimum of a given bulk material, featuring engineering lightweight design principles. (2) The inside of the structures is accessible to body fluids which deliver the required nutrients. (3) Furthermore, cellular architectures can grow organically by adding or removing individual struts or by changing the shape of the constituting elements. All these facts make the use of cellular architectures a reasonable choice for nature. Using additive manufacturing technologies (AMT), it is now possible to fabricate such structures for applications in engineering and biomedicine. In this chapter, we present methods that allow the 3D computational analysis of the mechanical properties of cellular structures with open porosity. Various different cellular architectures including disorder are studied. In order to quantify the influence of architecture, the apparent density is always kept constant. Furthermore, it is shown that how new advanced photopolymers can be used to tailor the mechanical and functional properties of the fabricated structures.

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.

Dielectric properties of Asteroid Vesta's surface as constrained by Dawn VIR observations

NASA Astrophysics Data System (ADS)

Palmer, Elizabeth M.; Heggy, Essam; Capria, Maria T.; Tosi, Federico

2015-12-01

Earth and orbital-based radar observations of asteroids provide a unique opportunity to characterize surface roughness and the dielectric properties of their surfaces, as well as potentially explore some of their shallow subsurface physical properties. If the dielectric and topographic properties of asteroid's surfaces are defined, one can constrain their surface textural characteristics as well as potential subsurface volatile enrichment using the observed radar backscatter. To achieve this objective, we establish the first dielectric model of asteroid Vesta for the case of a dry, volatile-poor regolith-employing an analogy to the dielectric properties of lunar soil, and adjusted for the surface densities and temperatures deduced from Dawn's Visible and InfraRed mapping spectrometer (VIR). Our model suggests that the real part of the dielectric constant at the surface of Vesta is relatively constant, ranging from 2.3 to 2.5 from the night- to day-side of Vesta, while the loss tangent shows slight variation as a function of diurnal temperature, ranging from 6 × 10-3 to 8 × 10-3. We estimate the surface porosity to be ∼55% in the upper meter of the regolith, as derived from VIR observations. This is ∼12% higher than previous estimation of porosity derived from previous Earth-based X- and S-band radar observation. We suggest that the radar backscattering properties of asteroid Vesta will be mainly driven by the changes in surface roughness rather than potential dielectric variations in the upper regolith in the X- and S-band.

Chain-like structure elements in Ni40Ta60 metallic glasses observed by scanning tunneling microscopy

PubMed Central

Pawlak, Rémy; Marot, Laurent; Sadeghi, Ali; Kawai, Shigeki; Glatzel, Thilo; Reimann, Peter; Goedecker, Stefan; Güntherodt, Hans-Joachim; Meyer, Ernst

2015-01-01

The structure of metallic glasses is a long-standing question because the lack of long-range order makes diffraction based techniques difficult to be applied. Here, we used scanning tunneling microscopy with large tunneling resistance of 6 GΩ at low temperature in order to minimize forces between probe and sample and reduce thermal fluctuations of metastable structures. Under these extremely gentle conditions, atomic structures of Ni40Ta60 metallic glasses are revealed with unprecedented lateral resolution. In agreement with previous models and experiments, icosahedral-like clusters are observed. The clusters show a high degree of mobility, which explains the need of low temperatures for stable imaging. In addition to icosahedrons, chain-like structures are resolved and comparative density functional theory (DFT) calculations confirm that these structures are meta-stable. The co-existence of icosahedral and chain-like structures might be an key ingredient for the understanding of the mechanical properties of metallic glasses. PMID:26268430

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.

Use of Field Observations for Understanding Controls of Polar Low Cloud Microphysical Properties

NASA Astrophysics Data System (ADS)

McFarquhar, G. M.

2016-12-01

Although arctic clouds have a net warming effect on the Arctic surface, their radiative effect is sensitive to cloud microphysical properties, namely the sizes, phases and shapes of cloud particles. Such cloud properties are influenced by the numbers, compositions and sizes of aerosols, meteorological conditions, and surface characteristics. Uncertainty in representing cloud-aerosol interactions in varying environmental conditions and associated feedbacks is a major cause in our lack of understanding of why the Arctic is warming faster than the rest of the Earth. Here, the understanding of cloud-aerosol interactions gained from past arctic field experiments is reviewed. Such studies have characterized the structure of single-layer mixed phase clouds that are ubiquitous in the Arctic and investigated different aerosol indirect effect mechanisms acting in these clouds. But, it is still unknown what controls the amount of supercooled water in arctic clouds (especially in complex frequently occurring multi-layer clouds), how probability distributions of cloud properties and radiative heating and their subsequent impact on temperature profiles and underlying snow and sea ice cover vary with aerosol loading and composition in different surface and meteorological conditions, how the composition and concentration of arctic aerosols and cloud microphysical properties vary annually and interannually, and how cloud-aerosol-radiative interactions can be better represented in models with varying temporal and spatial scales. These needs can be addressed in two ways. First, there is a need for comprehensive and routine aircraft, UAV and tethered balloon measurements in the presence of ground, air or space-based remote sensors over a variety of surface and meteorological conditions. Second, planned observational campaigns (the Measurements of Aerosols Radiation and Clouds over the Southern Oceans MARCUS and the Southern Oceans Cloud Radiation Transport Experimental Study SOCRATES

Electronic structure and optical properties of CdSxSe1-x solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

NASA Astrophysics Data System (ADS)

Murphy, M. W.; Yiu, Y. M.; Ward, M. J.; Liu, L.; Hu, Y.; Zapien, J. A.; Liu, Yingkai; Sham, T. K.

2014-11-01

The electronic structure and optical properties of a series of iso-electronic and iso-structural CdSxSe1-x solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

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.

Lanthanide coordination polymers: Synthesis, diverse structure and luminescence properties

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

Song, Xue-Qin, E-mail: songxq@mail.lzjtu.cn; Lei, Yao-Kun; Wang, Xiao-Run

2014-10-15

The new semirigid exo-bidentate ligand incorporating furfurysalicylamide terminal groups, namely, 1,4-bis([(2′-furfurylaminoformyl)phenoxyl]methyl)-2,5-bismethylbenzene (L) was synthesized and used as building blocks for constructing lanthanide coordination polymers with luminescent properties. The series of lanthanide nitrate complexes have been characterized by elemental analysis, IR spectroscopy, and X-ray diffraction analysis. The semirigid ligand L, as a bridging ligand, reacts with lanthanide nitrates forming three distinct structure types: chiral noninterpenetrated two-dimensional (2D) honeycomblike (6,3) (hcb, Schläfli symbol 6{sup 3}, vertex symbol 6 6 6) topological network as type I, 1D zigzag chain as type II and 1D trapezoid ladder-like chain as type III. The structural diversitiesmore » indicate that lanthanide contraction effect played significant roles in the structural self-assembled process. The luminescent properties of Eu{sup III}, Tb{sup III} and Dy{sup III} complexes are discussed in detail. Due to the good match between the lowest triplet state of the ligand and the resonant energy level of the lanthanide ion, the lanthanide ions in Eu{sup III}, Tb{sup III} and Dy{sup III} complexes can be efficiently sensitized by the ligand. - Graphical abstract: We present herein six lanthanide coordination polymers of a new semirigid exo-bidentate ligand which not only display diverse structures but also possess strong luminescence properties. - Highlights: • We present lanthanide coordination polymers of a new semirigid exo-bidentate ligand. • The lanthanide coordination polymers exhibit diverse structures. • The luminescent properties of Tb{sup III}, Eu{sup III} and Dy{sup III} complexes are discussed in detail.« less

Observational properties of decameter type IV bursts

NASA Astrophysics Data System (ADS)

Melnik, Valentin; Brazhenko, Anatoly; Rucker, Helmut; Konovalenko, Alexander; Briand, Carine; Dorovskyy, Vladimir; Zarka, Philippe; Frantzusenko, Anatoly; Panchenko, Michael; Poedts, Stefan; Zaqarashvili, Teimuraz; Shergelashvili, Bidzina

2013-04-01

Oscillations of decameter type IV bursts were registered during observations of solar radio emission by UTR-2, URAN-2 and NDA in 2011-2012. Large majority of these bursts were accompanied by coronal mass ejections (CMEs), which were observed by SOHO and STEREO in the visible light. Only in some cases decameter type IV bursts were not associated with CMEs. The largest periods of oscillations P were some tens of minutes. There were some modes of long periods of oscillations simultaneously. Periods of oscillations in flux and in polarization profiles were close. Detailed properties of oscillations at different frequencies were analyzed on the example of two type IV bursts. One of them was observed on April 7, 2011 when a CME happened. Another one (August 1, 2011) was registered without any CME. The 7 April type IV burst had two periods in the frames 75-85 and 35-85 minutes. Interesting feature of these oscillations is decreasing periods with time. The observed decreasing rates dP/dt equaled 0.03-0.07. Concerning type IV burst observed on August 1, 2011 the period of its oscillations increases from 17 min. at 30 MHz to 44 min. at 10 MHz. Connection of type IV burst oscillations with oscillations of magnetic arches and CMEs at corresponding altitudes are discussed. The work is fulfilled in the frame of FP7 project "SOLSPANET".

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.

Magnetic and structural properties of yellow europium oxide compound and Eu(OH){sub 3}

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

Lee, Dongwook, E-mail: dongwookleedl324@gmail.com; Seo, Jiwon, E-mail: jiwonseo@yonsei.ac.kr; Valladares, Luis de los Santos

A new material based on a yellow europium oxide compound was prepared from europium oxide in a high vacuum environment. The structural and magnetic properties of the material were investigated. Owing to the absence of a crystal structure, the material exhibited a disordered magnetic behavior. In a reaction with deionized (DI) water without applied heat, the compound assumed a white color as soon as the DI water reached the powder, and the structure became polycrystalline Eu(OH){sub 3}. The magnetic properties, such as the thermal hysteresis, disappeared after the reaction with DI water, and the magnetic susceptibility of the yellow oxidemore » compound weakened. The magnetic properties of Eu(OH){sub 3} were also examined. Although Eu{sup 3+} is present in Eu(OH){sub 3}, a high magnetic moment due to the crystal field effect was observed. - Graphical abstract: (top left) Optical image of the yellow europium oxide compound. (top right) Optical image of the product of DI water and yellow europium oxide. (bottom) Magnetization curves as a function of temperature measured in various magnetic field. - Highlights: • We prepared a new material based on a yellow europium oxide compound from europium oxide. • We characterized the magnetic properties of the material which exhibits a disordered magnetic behavior such as thermal hysteresis. • The compound turned white (Eu(OH){sub 3}) as soon as the DI water reached the powder. • The thermal hysteresis disappeared after the reaction with DI water and the magnetic susceptibility of the yellow oxide compound weakened.« less

Structural, optoelectronic, and thermoelectric properties of AZn13 (A=Na, K, Ca, Sr, Ba) compounds

NASA Astrophysics Data System (ADS)

Basit, Abdul; Murtaza, G.; Mahmood, Asif; Yar, Abdullah; Muhammad, S.

2016-08-01

We report the structural, electronic, optical, and thermoelectric properties of the five cubic alkali-earth transition-metals AZn13 (A-Na, K, Ca, Sr, Ba) using density functional theory. Structural properties, electronic structures and optical behaviors are calculated explicitly via highly accurate contemporary full potential-linearized augmented plane wave (FP-LAPW) method. The investigated ground state data of these materials is quite close to the experimental information. The modified Becke-Johnson (mBJ) predicts the intermetallic nature of AZn13 (A-Na, K, Ca, Sr, Ba) materials. The complex dielectric function of these intermetallic compounds has been calculated and the observed noticeable peaks are examined through mBJ. With the help of complex dielectric function, the other important optical parameters like reflectivities, conductivities and refractive indices of AZn13 (A-Na, K, Ca, Sr, Ba) have been calculated as a function of energy. The optical response suggests that AZn13 (A-Na, K, Ca, Sr, Ba) compounds can be used for the optoelectronic devices. Further, the thermoelectric properties have been calculated through BoltzTraP program, the calculated values for different thermoelectric parameters recommend that these AZn13 (A-Na, K, Ca, Sr, Ba) materials are the suitable candidates for thermoelectric applications.

Structural and optical properties of co-precipitated copper doped zinc oxide

NASA Astrophysics Data System (ADS)

Pandey, Devendra K.; Modi, Anchit; Pandey, Padmini; Gaur, N. K.

2018-05-01

We have synthesized pure and copper doped zinc oxide Zn1-xO:Cux (x = 0, 0.03) powder by wet chemical co-precipitation method followed by sintering of the co-precipitated amorphous phase powder at 450°C for 4 hours. The experiment is performed to recognize the effect of nominal doping of transition metal over the structural, morphological and optical properties. The structural parameters are observed by using Rietveld refinement of X-ray diffraction data which clearly represents that Cu ion is perfectly incorporated at the Zn site with minimal distortions within the lattice. The crystallite size is estimated by Debye-Scherrer and Hall-Williamson formulation. The particle morphology and size is determined with scanning electron microscopic (SEM) technique. The band gap and optical measurements are carried out with UV-visible absorption and photoluminescence (PL) spectroscopic technique, respectively. Enhanced PL spectral response is observed for ZnO:Cu along with non-radiative transitions from conduction band to valence band. The energy levels near the conduction band that are commonly involved in the optoelectronic transitions in the UV-region are traced by using absorption and luminescence spectral graphs.

Structural controls on the megathrust segmentation of the Middle America Trench from multiple geophysical observations

NASA Astrophysics Data System (ADS)

Naif, S.; Bassett, D.

2016-12-01

Subduction zone megathrusts display complex seismogenic behaviors that vary at intra- and inter-margin scales. Many different physical properties have been proposed to be primarily responsible for this behavior, such as the composition of subducted sediments, the hydration state of the incoming oceanic plate, and the pore-fluid pressure at the plate interface. Here, we focus on the northern Middle America Trench and show that subducting plate structures control megathrust segmentation. We analyze multiple types of seafloor geophysical observations and compare them to the distinct behavioral and spatial characteristics of the 1992 Nicaragua (Mw7.6), 2012 El Salvador (Mw7.3), 2012 Guatemala (Mw7.4), and 2012 Costa Rica (Mw7.6) events. The residual topography, residual gravity, and magnetic anomaly structure of the incoming oceanic plate and forearc seafloor are correlated. The forearc is composed of multiple unique segments that are bounded by subducting fracture zones. These boundaries correlate with foreshock and aftershock seismicity and also coincide with the hypocenter of all four earthquakes. The relationship between observed structures, earthquake slip inversions, and radiated energy of the four large events will be discussed.

Evaluation of simulated tropical convective updraft hydrometeor properties using aircraft observations

NASA Astrophysics Data System (ADS)

Stanford, McKenna W.

The High Altitude Ice Crystals - High Ice Water Content (HAIC-HIWC) field campaign produced aircraft retrievals of total condensed water content (TWC), hydrometeor particle size distributions, and vertical velocity (w) in high ice water content regions of tropical mesoscale convective systems (MCSs). These observations are used to evaluate deep convective updraft properties in high-resolution nested Weather Research and Forecasting (WRF) simulations of observed MCSs. Because simulated hydrometeor properties are highly sensitive to the parameterization of microphysics, three commonly used microphysical parameterizations are tested, including two bulk schemes (Thompson and Morrison) and one bin scheme (Fast Spectral Bin Microphysics). A commonly documented bias in cloud-resolving simulations is the exaggeration of simulated radar reflectivities aloft in tropical MCSs. This may result from overly strong convective updrafts that loft excessive condensate mass and from simplified approximations of hydrometeor size distributions, properties, species separation, and microphysical processes. The degree to which the reflectivity bias is a separate function of convective dynamics, condensate mass, and hydrometeor size has yet to be addressed. This research untangles these components by comparing simulated and observed relationships between w, TWC, and hydrometer size as a function of temperature. All microphysics schemes produce median mass diameters that are generally larger than observed for temperatures between -10 °C and -40 °C and TWC > 1 g m-3. Observations produce a prominent mode in the composite mass size distribution around 300 microm, but under most conditions, all schemes shift the distribution mode to larger sizes. Despite a much greater number of samples, all simulations fail to reproduce observed high TWC or high w conditions between -20 °C and -40 °C in which only a small fraction of condensate mass is found in relatively large particle sizes. Increasing

Structural, electronic and magnetic properties of Au-based monolayer derivatives in honeycomb structure

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

Kapoor, Pooja, E-mail: pupooja16@gmail.com; Sharma, Munish; Ahluwalia, P. K.

2016-05-23

We present electronic properties of atomic layer of Au, Au{sub 2}-N, Au{sub 2}-O and Au{sub 2}-F in graphene-like structure within the framework of density functional theory (DFT). The lattice constant of derived monolayers are found to be higher than the pristine Au monolayer. Au monolayer is metallic in nature with quantum ballistic conductance calculated as 4G{sub 0}. Similarly, Au{sub 2}-N and Au{sub 2}-F monolayers show 4G{sub 0} and 2G{sub 0} quantum conductance respectively while semiconducting nature with calculated band gap of 0.28 eV has been observed for Au{sub 2}-O monolayer. Most interestingly, half metalicity has been predicted for Au{sub 2}-Nmore » and Au{sub 2}-F monolayers. Our findings may have importance for the application of these monolayers in nanoelectronic and spintronics.« less

Crystalline Structure and Physical Properties of UCo2Al3

NASA Astrophysics Data System (ADS)

Verdín, E.; Escudero, R.

Some intermetallic compounds which contain uranium or cerium present heavy fermion characteristics. Take, for example, in the UM2Al3 (M=Pd, Ni) family, superconductivity and magnetism coexist and present heavy fermion behavior. This work presents the crystallographic characteristics and physical properties of a new compound of this family; the intermetallic compound UCo2Al3. Our initial crystallographic studies performed in a small single crystal show that the structure is hexagonal and similar to the UNi2Al3 and UPd2Al3 parent compounds. The space group is P6/mmm with a=5.125 Å and c=4.167 Å crystalline parameters. Measurements of resistivity and magnetization performed on the single crystal reveal that the compound is not superconducting when measured at about 1.8 K. The compound is highly anisotropic and features related to Kondo-like behavior are observed. A weak ferromagnetic transition is observed at a temperature of about 20 K.

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

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.

Controlled Synthesis of Ultralong Carbon Nanotubes with Perfect Structures and Extraordinary Properties.

PubMed

Zhang, Rufan; Zhang, Yingying; Wei, Fei

2017-02-21

Carbon nanotubes (CNTs) have drawn intensive research interest in the past 25 years due to their excellent properties and wide applications. Ultralong CNTs refers to the horizontally aligned CNT arrays which are usually grown on flat substrates, parallel with each other with large intertube distances. They usually have perfect structures, excellent properties, and lengths up to centimeters, even decimeters. Ultralong CNTs are promising candidates as building blocks for transparent displays, nanoelectronics, superstrong tethers, aeronautics and aerospace materials, etc. The controlled synthesis of ultralong CNTs with perfect structures is the key to fully exploit the extraordinary properties of CNTs. CNTs are typical one-dimensional single-crystal nanomaterials. It has always been a great challenge how to grow macroscale single-crystals with no defects. Thus, the synthesis of ultralong CNTs with no defect is of significant importance from both fundamental and industrial aspects. In this Account, we focus on our progress on the controlled synthesis of ultralong CNTs with perfect structures and excellent properties. A deep understanding of the CNT growth mechanism is the first step for the controlled synthesis of ultralong CNTs with high quality. We first introduce the growth mechanism for ultralong CNTs and the main factor affecting their structures. We then discuss the strategies to control the defects in the as-grown ultralong CNTs. With these approaches, ultralong high-quality CNTs with different structures can be obtained. By completely eliminating the factors which may induce defects in the CNT walls, ultralong CNTs with perfect structures can be obtained. Their chiral indices keep unchanged for several centimeters long along the axial direction of the CNTs. The defect-free structures render the ultralong CNTs with excellent electrical, mechanical and thermal properties. The as-grown ultralong CNTs exhibit superhigh mechanical strength (>100 GPa) and their

Effect of geometry structure on critical properties

NASA Astrophysics Data System (ADS)

Jiang, Qing; Jiang, Xue-fan

1997-02-01

The effective-field renormalization group (EFRG) scheme is utilized to compute critical properties of the transverse Ising model (TIM) in a quantum-spin system. We distinguish differences between lattices of the same coordination number but of different structures and take effects of the first fluctuation correction into account. The improved results for the critical transverse field are obtained for several lattice structures even by considering the smallest possible cluster, which is in good agreement with series results.

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.

Observation of triple helix motif on electrospun collagen nanofibers and its effect on the physical and structural properties

NASA Astrophysics Data System (ADS)

Bürck, Jochen; Aras, Onur; Bertinetti, Luca; Ilhan, Caner A.; Ermeydan, Mahmut A.; Schneider, Reinhard; Ulrich, Anne S.; Kazanci, Murat

2018-01-01

Collagen is a very popular natural biomaterial due to its high biocompatibility and bioactivity. Electrospinning is currently the only technique that allows the fabrication of continuous fibers with diameters down to a few nanometers. In order to regenerate collagen in the forms of nanofibers, it is necessary to dissolve it in suitable solvents. The solvents and electrospinning process cause unfolding of collagen nanofibers. It is proposed that acidic solvents preserve better the natural structure of collagen fibers. In this paper, the structures of collagen nanofibers were examined by using circular dichroism (CD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy, differential scanning calorimetry (DSC) and sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) methods in order to test this hypothesis. The increase in PP-II fraction, representing the triple helix structure in collagen, that was observed in CD analysis of HAc derived collagen nanofibers, for the first time was successfully confirmed and illustrated by using SEM and TEM methods. Furthermore, CD revealed the mostly detrimental effect of stabilization conditions such as heat, vacuum and UV treatment on the secondary structure of the collagen nanofibers.

Structural Fluctuations and Thermophysical Properties of Molten II-VI Compounds

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Zhu, Shen; Li, Chao; Scripa, R.; Lehoczky, Sandra L.; Kim, Y. W.; Baird, J. K.; Lin, B.; Ban, Heng; Benmore, Chris

2003-01-01

The objectives of the project are to conduct ground-based experimental and theoretical research on the structural fluctuations and thermophysical properties of molten II-VI compounds to enhance the basic understanding of the existing flight experiments in microgravity materials science programs as well as to study the fundamental heterophase fluctuation phenomena in these melts by: 1) conducting neutron scattering analysis and measuring quantitatively the relevant thermophysical properties of the II-VI melts (such as viscosity, electrical conductivity, thermal diffusivity and density) as well as the relaxation characteristics of these properties to advance the understanding of the structural properties and the relaxation phenomena in these melts and 2) performing theoretical analyses on the melt systems to interpret the experimental results. All the facilities required for the experimental measurements have been procured, installed and tested. It has long been recognized that liquid Te presents a unique case having properties between those of metals and semiconductors. The electrical conductivity for Te melt increases rapidly at melting point, indicating a semiconductor-metal transition. Te melts comprise two features, which are usually considered to be incompatible with each other: covalently bound atoms and metallic-like behavior. Why do Te liquids show metallic behavior? is one of the long-standing issues in liquid metal physics. Since thermophysical properties are very sensitive to the structural variations of a melt, we have conducted extensive thermophysical measurements on Te melt.

Structure-property relationships in semicrystalline copolymers and ionomers

NASA Astrophysics Data System (ADS)

Wakabayashi, Katsuyuki

Many outstanding physical properties of ethylene/(meth)acrylic acid (E/(M)AA) copolymers and ionomers are associated with their nanometer-scale morphology, which consists of ethylene crystallites, amorphous segments, and acid/ionic functional groups. The goal of this dissertation is a fundamental understanding of the interplay between these structural motifs and the consequent effects on the material properties. We identify small-strain modulus as a key mechanical property and investigate its dependence upon material structure through X-ray scattering, calorimetry, and mechanical property measurements. We first treat E/(M)AA copolymers as composites of polyethylene crystallites and amorphous regions, and establish a quantitative combining rule to describe the copolymer modulus. At temperatures above the Tg of the copolymers, a monotonic increase in modulus with crystallinity is quantitatively described by the Davies equation for two-phase composites, which serves as the basis for separating the effects of amorphous and crystalline phases throughout this dissertation. The room-temperature modulus of E/(M)AA copolymers is concurrently affected by ethylene crystallinity and proximity to the amorphous phase Tg, which rises through room temperature with increasing comonomer content. In E/(M)AA ionomers, phase separation and aggregation of ionic groups provide additional stiffness and toughness. Ionomers are modeled as composites of crystallites and ionically crosslinked rubber, whose amorphous phase modulus far above the ionomer Tg is satisfactorily described by simple rubber elasticity theory. Thermomechanical analyses probe the multi-step relaxation behavior of E/(M)AA ionomers and lead to the development of a new semicrystalline ionomer morphological model, wherein secondary crystallites and ionic aggregates together form rigid percolated pathways throughout the amorphous phase. Metal soaps are oligomeric analogs of E/(M)AA ionomers, which can be blended into

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.

Ion spectral structures observed by the Van Allen Probes

NASA Astrophysics Data System (ADS)

Ferradas, C.; Zhang, J.; Spence, H. E.; Kistler, L. M.; Larsen, B.; Reeves, G. D.; Skoug, R. M.; Funsten, H. O.

2015-12-01

During the last decades several missions have recorded the presence of dynamic spectral features of energetic ions in the inner magnetosphere. Previous studies have reported single "nose-like" structures occurring alone and simultaneous nose-like structures (up to three). These ion structures are named after the characteristic shapes of energy bands or gaps in the energy-time spectrograms of in situ measured ion fluxes. They constitute the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. The HOPE mass spectrometer onboard the Van Allen Probes measures energetic hydrogen, helium, and oxygen ions near the inner edge of the plasma sheet, where these ion structures are observed. We present a statistical study of nose-like structures, using 2-years measurements from the HOPE instrument. The results provide important details about the spatial distribution (dependence on geocentric distance), spectral features of the structures (differences among species), and geomagnetic conditions under which these structures occur.

Structures, Properties and Defects of SrTiO3/GaAs Hetero-interfaces

NASA Astrophysics Data System (ADS)

Hong, Liang; Bhatnagar, Kunal; Droopad, Ravi; Öğüt, Serdar; Klie, Robert

SrTiO3 thin film can be epitaxially grown on GaAs substrate and used as a platform for growing other oxides to create functional metal-oxide-semiconductor devices, where a high-quality SrTiO3/GaAs interface is essential. We studied the structural and electronic properties of SrTiO3/GaAs hetero-interfaces at atomic level using scanning transmission electron microscopy and first-principles calculations. Our results suggest the preferred termination of GaAs (001) is significantly dependent on the oxygen concentration in the first oxide layer. The favorable interface structure is characterized as oxygen-deficient SrO in contact with arsenic and is observed in both experiment and simulation. The electronic properties are calculated and found to be tunable by interfacial defects such as oxygen, gallium and arsenic vacancies. This work was supported by the National Science Foundation (Grant No. DMR-1408427). This work made use of instruments in the Electron Microscopy Service and the High Performance Computing Clusters at University of Illinois at Chicago.

Features of highly structured equatorial plasma irregularities deduced from CHAMP observations

NASA Astrophysics Data System (ADS)

Xiong, C.; Lühr, H.; Ma, S. Y.; Stolle, C.; Fejer, B. G.

2012-08-01

In this study five years of CHAMP (Challenging Mini-satellite Payload) fluxgate magnetometer (FGM) data is used to investigate the characteristics of Equatorial Plasma Bubbles (EPBs). We filtered the FGM data by using band-passes with four different cut-off periods to get the EPBs with different maximum spatial scale sizes in the meridional plane ranging from 76-608 km. Associated with the EPB observations at about 400 km, the typical altitude of CHAMP during the year 2000-2005, we also investigate the post-sunset equatorial vertical plasma drift data from ROCSAT-1 (Republic of China Satellite 1). Since the height of the F-layer is highly correlated with the vertical plasma drift and solar flux, we sorted the ROCSAT-1 data into different groups by F10.7. From the integrated vertical drift we have estimated the post-sunset uplift of the ionosphere. By comparing the properties of EPB occurrence for different scale sizes with the global distribution of plasma vertical uplift, we have found that EPBs reaching higher altitudes are more structured than those which are sampled by CHAMP near the top side of the depleted fluxtube. Such a result is in accord with 3-D model simulations (Aveiro and Hysell, 2010). Small-scale EPB structures are observed by CHAMP when the irregularities reach apex heights of 800 km and more. Such events are encountered primarily in the Brazilian sector during the months around November, when the post-sunset vertical plasma drift is high.

Structural and mechanical properties of organogels: Role of oil and gelator molecular structure.

PubMed

Cerqueira, Miguel A; Fasolin, Luiz H; Picone, Carolina S F; Pastrana, Lorenzo M; Cunha, Rosiane L; Vicente, António A

2017-06-01

This work aims at evaluating the influence of oil and gelator structure on organogels' properties through rheological measurements, polarized microscopy and small-angle X-ray scattering (SAXS). Four different food-grade gelators (glyceryl tristearate - GT; sorbitan tristearate - ST; sorbitan monostearate - SM and glyceryl monostearate - GM) were tested in medium-chain triglyceride and high oleic sunflower (MCT and LCT, respectively) oil phases. Organogels were prepared by mixing the oil phase and gelator at different concentrations (5, 10, 15, 20 and 25%) at 80°C during 30min. All organogels presented birefringence confirming the formation of a crystalline structure that changed with the increase of the gelator concentration. Through the evaluation of SAXS peaks it has been confirmed that all structures were organized as lamellas but with different d-spacing values. These particularities at micro- and nanoscale level lead to differences in rheological properties of organogels. Results showed that the oil type (i.e. medium- and long-chain triglyceride) and hydrophilic head of gelators (i.e. sorbitan versus glyceryl) exert influence on the organogels physical properties, but the presence of monostearate leads to the formation of stronger organogels. Moreover, gels produced with LCT were stronger and gelled at lower organogelator concentration than MCT. Copyright © 2017 Elsevier Ltd. All rights reserved.

Theoretical framework for analyzing structural compliance properties of proteins.

PubMed

Arikawa, Keisuke

2018-01-01

We propose methods for directly analyzing structural compliance (SC) properties of elastic network models of proteins, and we also propose methods for extracting information about motion properties from the SC properties. The analysis of SC properties involves describing the relationships between the applied forces and the deformations. When decomposing the motion according to the magnitude of SC (SC mode decomposition), we can obtain information about the motion properties under the assumption that the lower SC mode motions or the softer motions occur easily. For practical applications, the methods are formulated in a general form. The parts where forces are applied and those where deformations are evaluated are separated from each other for enabling the analyses of allosteric interactions between the specified parts. The parts are specified not only by the points but also by the groups of points (the groups are treated as flexible bodies). In addition, we propose methods for quantitatively evaluating the properties based on the screw theory and the considerations of the algebraic structures of the basic equations expressing the SC properties. These methods enable quantitative discussions about the relationships between the SC mode motions and the motions estimated from two different conformations; they also help identify the key parts that play important roles for the motions by comparing the SC properties with those of partially constrained models. As application examples, lactoferrin and ATCase are analyzed. The results show that we can understand their motion properties through their lower SC mode motions or the softer motions.

Theoretical framework for analyzing structural compliance properties of proteins

PubMed Central

2018-01-01

We propose methods for directly analyzing structural compliance (SC) properties of elastic network models of proteins, and we also propose methods for extracting information about motion properties from the SC properties. The analysis of SC properties involves describing the relationships between the applied forces and the deformations. When decomposing the motion according to the magnitude of SC (SC mode decomposition), we can obtain information about the motion properties under the assumption that the lower SC mode motions or the softer motions occur easily. For practical applications, the methods are formulated in a general form. The parts where forces are applied and those where deformations are evaluated are separated from each other for enabling the analyses of allosteric interactions between the specified parts. The parts are specified not only by the points but also by the groups of points (the groups are treated as flexible bodies). In addition, we propose methods for quantitatively evaluating the properties based on the screw theory and the considerations of the algebraic structures of the basic equations expressing the SC properties. These methods enable quantitative discussions about the relationships between the SC mode motions and the motions estimated from two different conformations; they also help identify the key parts that play important roles for the motions by comparing the SC properties with those of partially constrained models. As application examples, lactoferrin and ATCase are analyzed. The results show that we can understand their motion properties through their lower SC mode motions or the softer motions. PMID:29607281

Stimuli-responsive Materials and Structures with Electrically Tunable Mechanical Properties

NASA Astrophysics Data System (ADS)

Auletta, Jeffrey Thomas

Electricity, a convenient stimulus, was used to manipulate the mechanical properties of two classes of materials, each with a different mechanism. In the first system, macroscale electroplastic elastomer hydrogels (EPEs) were reversibly cycled through soft and hard states by sequential application of oxidative and reductive potentials. Electrochemically reversible crosslinks were switched between strongly binding Fe3+ and weak to non-binding Fe2+, as determined by potentiometric titration.With the incorporation of graphene oxide (GO) into the EPE, a significant enhancement in modulus and toughness was observed, allowing for the preparation of thinner EPE samples, which could be reversibly cycled between soft and hard states over 30 minutes. Further characterization of this EPE by magnetic susceptibility measurements suggested the formation of multinuclear iron clusters within the gel. Copper-derived EPEs which exploited the same redox-controlled mechanism for switching between hard and soft states were also prepared. Here, the density of temporary crosslinks and the mechanical properties were controlled by reversibly switching between the +1 and +2 oxidation states, using a combination of electrochemical/air oxidation and chemical reduction. In addition to undergoing redox-controlled changes in modulus, these EPEs exhibited shape memory. In the second system, electroadhesion between ionomer layers was exploited to create laminate structures whose rigidity depended on the reversible polarization of the dielectric polymers. The role of the counter-ion in determining the intrinsic and electroadhesive properties of poly(ethylene-co-acrylic acid) ionomers in bi- and tri-layered laminate structures was examined. PEAA ionomers were prepared with three tetraalkylammonium cations (NR4 +, R = methyl, TMA+; ethyl, TEA+; and propyl, TPA+). Reflecting the increasing hydrophobicity of the longer alkyl chains, water uptake changed as a function of counterion with TMA+ > TEA

Dynamically hot galaxies. I - Structural properties

NASA Technical Reports Server (NTRS)

Bender, Ralf; Burstein, David; Faber, S. M.

1992-01-01

Results are reported from an analysis of the structural properties of dynamically hot galaxies which combines central velocity dispersion, effective surface brightness, and effective radius into a new 3-space (k), in which the axes are parameters that are physically meaningful. Hot galaxies are found to divide into groups in k-space that closely parallel conventional morphological classifications, namely, luminous ellipticals, compacts, bulges, bright dwarfs, and dwarf spheroidals. A major sequence is defined by luminous ellipticals, bulges, and most compacts, which together constitute a smooth continuum in k-space. Several properties vary smoothly with mass along this continuum, including bulge-to-disk ratio, radio properties, rotation, degree of velocity anisotropy, and 'unrelaxed'. A second major sequence is comprised of dwarf ellipticals and dwarf spheroidals. It is suggested that mass loss is a major factor in hot dwarf galaxies, but the dwarf sequence cannot be simply a mass-loss sequence, as it has the wrong direction in k-space.

Structure and Electronic Properties of Interface-Confined Oxide Nanostructures

DOE PAGES

Liu, Yun; Ning, Yanxiao; Yu, Liang; ...

2017-09-16

The controlled fabrication of nanostructures has often made use of a substrate template to mediate and control the growth kinetics. Electronic substrate-mediated interactions have been demonstrated to guide the assembly of organic molecules or the nucleation of metal atoms but usually at cryogenic temperatures, where the diffusion has been limited. Combining STM, STS, and DFT studies, we report that the strong electronic interaction between transition metals and oxides could indeed govern the growth of low-dimensional oxide nanostructures. As a demonstration, a series of FeO triangles, which are of the same structure and electronic properties but with different sizes (side lengthmore » >3 nm), are synthesized on Pt(111). The strong interfacial interaction confines the growth of FeO nanostructures, leading to a discrete size distribution and a uniform step structure. Given the same interfacial configuration, as-grown FeO nanostructures not only expose identical edge/surface structure but also exhibit the same electronic properties, as manifested by the local density of states and local work functions. We expect the interfacial confinement effect can be generally applied to control the growth of oxide nanostructures on transition metal surfaces. These oxide nanostructures of the same structure and electronic properties are excellent models for studies of nanoscale effects and applications.« less

Structure and Electronic Properties of Interface-Confined Oxide Nanostructures

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

Liu, Yun; Ning, Yanxiao; Yu, Liang

The controlled fabrication of nanostructures has often made use of a substrate template to mediate and control the growth kinetics. Electronic substrate-mediated interactions have been demonstrated to guide the assembly of organic molecules or the nucleation of metal atoms but usually at cryogenic temperatures, where the diffusion has been limited. Combining STM, STS, and DFT studies, we report that the strong electronic interaction between transition metals and oxides could indeed govern the growth of low-dimensional oxide nanostructures. As a demonstration, a series of FeO triangles, which are of the same structure and electronic properties but with different sizes (side lengthmore » >3 nm), are synthesized on Pt(111). The strong interfacial interaction confines the growth of FeO nanostructures, leading to a discrete size distribution and a uniform step structure. Given the same interfacial configuration, as-grown FeO nanostructures not only expose identical edge/surface structure but also exhibit the same electronic properties, as manifested by the local density of states and local work functions. We expect the interfacial confinement effect can be generally applied to control the growth of oxide nanostructures on transition metal surfaces. These oxide nanostructures of the same structure and electronic properties are excellent models for studies of nanoscale effects and applications.« less

Observations of disconnection of open coronal magnetic structures

NASA Technical Reports Server (NTRS)

Mccomas, D. J.; Phillips, J. L.; Hundhausen, A. J.; Burkepile, J. T.

1991-01-01

The solar maximum mission coronagraph/polarimeter observations are surveyed for evidence of magnetic disconnection of previously open magnetic structures and several sequences of images consistent with this interpretation are identified. Such disconnection occurs when open field lines above helmet streamers reconnect, in contrast to previously suggested disconnections of CMEs into closed plasmoids. In this paper a clear example of open field disconnection is shown in detail. The event, on June 27, 1988, is preceded by compression of a preexisting helmet streamer and the open coronal field around it. The compressed helmet streamer and surrounding open field region detach in a large U-shaped structure which subsequently accelerates outward from the sun. The observed sequence of events is consistent with reconnection across the heliospheric current sheet and the creation of a detached U-shaped magnetic structure. Unlike CMEs, which may open new magnetic flux into interplanetary space, this process could serve to close off previously open flux, perhaps helping to maintain the roughly constant amount of open magnetic flux observed in interplanetary space.

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

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.

Experimental Study on the Fire Properties of Nitrocellulose with Different Structures

PubMed Central

Wei, Ruichao; He, Yaping; Liu, Jiahao; He, Yu; Mi, Wenzhong; Yuen, Richard; Wang, Jian

2017-01-01

In order to ensure the safety of inflammable and explosive chemical substance such as nitrocellulose (NC) mixtures in the process of handing, storage, and usage, it is necessary to obtain the fire properties of NC with different exterior structures. In present study, fire properties of two commonly used nitrocelluloses with soft fiber structure and white chip structure were investigated by scanning electron microscope (SEM) and the ISO 5660 cone calorimeter. Experimental findings revealed that the most important fire properties such as ignition time, mass loss rate and ash content exhibited significant differences between the two structures of NC. Compared with the soft fiber NC, chip NC possesses a lower fire hazard, and its heat release rate intensity (HRRI) is mainly affected by the sample mass. In addition, oxygen consumption (OC) calorimetry method was compared with thermal chemistry (TC) method based on stoichiometry for HRRI calculation. HRRI results of NC with two structures obtained by these two methods showed a good consistency. PMID:28772675

Optical and structural properties of cadmium telluride films grown by glancing angle deposition

NASA Astrophysics Data System (ADS)

Ehsani, M. H.; Rezagholipour Dizaji, H.; Azizi, S.; Ghavami Mirmahalle, S. F.; Siyanaki, F. Hosseini

2013-08-01

Cadmium telluride films were grown by the glancing angle deposition (GLAD) technique. The samples were prepared under different incident deposition flux angles (α = 0°, 20° and 70° measured from the normal to the substrate surface). During deposition, the substrate temperature was maintained at room temperature. The structural study was performed using an x-ray diffraction diffractometer. The samples were found to be poly-crystalline with cubic structure for those deposited at α = 0° and 20° and hexagonal structure for the one deposited at 70°. The images of samples obtained by the field emission scanning electron microscopy technique showed that the GLAD method could produce a columnar layer tilted toward the incident deposition flux. The optical properties study by the UV-Vis spectroscopy technique showed that the use of this growth technique affected the optical properties of the films. A higher absorption coefficient in the visible and near-IR spectral range was observed for the sample deposited at α = 70°. This is an important result from the photovoltaic applications point of view where absorber materials with large absorption coefficients are needed. Also, it seems that the sample with a high incident deposition flux angle has the capability of making an n-CdTe/p-CdTe homo-junction.

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.

Structural and Dynamical Properties of 2:1 Phyllosilicates Edges and Nanoparticles

NASA Astrophysics Data System (ADS)

Newton, A. G.; Sposito, G.

2012-12-01

Classical mechanics simulations of bulk 2:1 phyllosilicate minerals provide atomic scale perspectives of the macroscopic sorption and diffusion phenomena in interlayer nanopores. An equivalent perspective of these interfacial phenomena in macropores bounded by the edges of stacked phyllosilicate particles is not possible due to the absence of a forcefield for the edges of phyllosilicate minerals. A valid forcefield to describe the phyllosilicate edge is essential to link the quantum and continuum mechanical models. The inherently disordered edge of 2:1 phyllosilicate minerals and rarity of well-crystallized samples further complicates the task of validating a forcefield for the phyllosilicate edge. Periodic bond chain theory identifies three tetrahedral-octahedral-tetrahedral (TOT) structures that parallel the edge faces of pseudohexagonal phyllosilicate particles. These TOT structures are the basis of atomistic models of the dominant edge interface and nanoparticles. The CLAYFF forcefield describes all pairwise atomic interactions with only minimal partial charge adjustments to maintain model neutrality, where necessary. Atomistic simulations in the isobaric-isothermal ensemble at nanosecond timescales predict equilibrium edge structures and dynamical properties of the aqueous interface. The CLAYFF forcefield and the limited adjustments to parameters predict edge and particle structures that are consistent with the results of ab initio MD simulations, support macroscopic observations of phyllosilicate reactivity, and provide legitimacy for disordered models of 2:1 phyllosilicates. The heterogeneous edge structures can be explained by the chemistry of the octahedral cation and surface charge anisotropy. In the plane of the octahedral sheet, the cations of the octahedral layer can assume four-, five-, and six-coordinate polyhedral geometries at the edge interface. These disordered edge structures create alternate alignments in the tetrahedral sheet. The structural

Electronic structure and optical properties of CuAlO2 under biaxial strain.

PubMed

Ghosh, C K; Sarkar, D; Mitra, M K; Chattopadhyay, K K

2012-06-13

An ab initio calculation has been carried out to investigate the biaxial strain ( - 10.71% < ε < 9.13%) effect on elastic, electronic and optical properties of CuAlO(2). All the elastic constants (c(11), c(12), c(13), c(33)) except c(44) decrease (increase) during tensile (compressive) strain. The band gap is found to decrease in the presence of tensile as well as compressive strain. The relative decrease of the band gap is asymmetric with respect to the sign of the strain. Significant differences between the parallel and perpendicular components of the dielectric constant and the optical properties have been observed due to anisotropic crystal structure. It is further noticed that these properties are easily tunable by strain. Importantly, the collective oscillation of the valence electrons has been identified for light polarized perpendicular to the c-axis. From calculations, it is clear that the tensile strain can enhance the hole mobility as well as the transparency of CuAlO(2).

Electronic structure and optical properties of CuAlO2 under biaxial strain

NASA Astrophysics Data System (ADS)

Ghosh, C. K.; Sarkar, D.; Mitra, M. K.; Chattopadhyay, K. K.

2012-06-01

An ab initio calculation has been carried out to investigate the biaxial strain ( - 10.71% < ɛ < 9.13%) effect on elastic, electronic and optical properties of CuAlO2. All the elastic constants (c11, c12, c13, c33) except c44 decrease (increase) during tensile (compressive) strain. The band gap is found to decrease in the presence of tensile as well as compressive strain. The relative decrease of the band gap is asymmetric with respect to the sign of the strain. Significant differences between the parallel and perpendicular components of the dielectric constant and the optical properties have been observed due to anisotropic crystal structure. It is further noticed that these properties are easily tunable by strain. Importantly, the collective oscillation of the valence electrons has been identified for light polarized perpendicular to the c-axis. From calculations, it is clear that the tensile strain can enhance the hole mobility as well as the transparency of CuAlO2.

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

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.

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.

Optical properties of volcanic ash: improving remote sensing observations.

NASA Astrophysics Data System (ADS)

Whelley, Patrick; Colarco, Peter; Aquila, Valentina; Krotkov, Nickolay; Bleacher, Jake; Garry, Brent; Young, Kelsey; Rocha Lima, Adriana; Martins, Vanderlei; Carn, Simon

2016-04-01

Many times each year explosive volcanic eruptions loft ash into the atmosphere. Global travel and trade rely on aircraft vulnerable to encounters with airborne ash. Volcanic ash advisory centers (VAACs) rely on dispersion forecasts and satellite data to issue timely warnings. To improve ash forecasts model developers and satellite data providers need realistic information about volcanic ash microphysical and optical properties. In anticipation of future large eruptions we can study smaller events to improve our remote sensing and modeling skills so when the next Pinatubo 1991 or larger eruption occurs, ash can confidently be tracked in a quantitative way. At distances >100km from their sources, drifting ash plumes, often above meteorological clouds, are not easily detected from conventional remote sensing platforms, save deriving their quantitative characteristics, such as mass density. Quantitative interpretation of these observations depends on a priori knowledge of the spectral optical properties of the ash in UV (>0.3μm) and TIR wavelengths (>10μm). Incorrect assumptions about the optical properties result in large errors in inferred column mass loading and size distribution, which misguide operational ash forecasts. Similarly, simulating ash properties in global climate models also requires some knowledge of optical properties to improve aerosol speciation.

Effect of local atomic and electronic structures on thermoelectric properties of chemically substituted CoSi

NASA Astrophysics Data System (ADS)

Hsu, C. C.; Pao, C. W.; Chen, J. L.; Chen, C. L.; Dong, C. L.; Liu, Y. S.; Lee, J. F.; Chan, T. S.; Chang, C. L.; Kuo, Y. K.; Lue, C. S.

2014-05-01

We report the effects of Ge partial substitution for Si on local atomic and electronic structures of thermoelectric materials in binary compound cobalt monosilicides (\\text{CoSi}_{1-x}\\text{Ge}_{x}\\text{:}\\ 0 \\le x \\le 0.15 ). Correlations between local atomic/electronic structure and thermoelectric properties are investigated by means of X-ray absorption spectroscopy. The spectroscopic results indicate that as Ge is partially substituted onto Si sites at x \\le 0.05 , Co in CoSi1-xGex gains a certain amount of charge in its 3d orbitals. Contrarily, upon further replacing Si with Ge at x \\ge 0.05 , the Co 3d orbitals start to lose some of their charge. Notably, thermopower is strongly correlated with charge redistribution in the Co 3d orbital, and the observed charge transfer between Ge and Co is responsible for the variation of Co 3d occupancy number. In addition to Seebeck coefficient, which can be modified by tailoring the Co 3d states, local lattice disorder may also be beneficial in enhancing the thermoelectric properties. Extended X-ray absorption fine structure spectrum results further demonstrate that the lattice phonons can be enhanced by Ge doping, which results in the formation of the disordered Co-Co pair. Improvements in the thermoelectric properties are interpreted based on the variation of local atomic and electronic structure induced by lattice distortion through chemical substitution.

Observed correlations between aerosol and cloud properties in an Indian Ocean trade cumulus regime

NASA Astrophysics Data System (ADS)

Pistone, Kristina; Praveen, Puppala S.; Thomas, Rick M.; Ramanathan, Veerabhadran; Wilcox, Eric M.; Bender, Frida A.-M.

2017-04-01

There are multiple factors which affect the micro- and macrophysical properties of clouds, including the atmospheric vertical structure and dominant meteorological conditions in addition to aerosol concentration, all of which may be coupled to one another. In the quest to determine aerosol effects on clouds, these potential relationships must be understood. As bio- and fossil fuel combustion has increased in southeast Asia, corresponding increases in atmospheric aerosol pollution have been seen over the surrounding regions. These emissions notably include black carbon (BC) aerosols, which absorb rather than reflect solar radiation, affecting the atmosphere over the Indian Ocean through direct warming in addition to modifying cloud microphysical properties. The CARDEX (Cloud, Aerosol, Radiative forcing, Dynamics EXperiment) field campaign was conducted during the winter monsoon season (February and March) of 2012 in the northern Indian Ocean, a region dominated by trade cumulus clouds. During CARDEX, small unmanned aircraft were deployed, measuring aerosol, radiation, cloud, water vapor fluxes, and meteorological properties while a surface observatory collected continuous measurements of atmospheric precipitable water vapor (PWV), water vapor fluxes, surface and total-column aerosol, and cloud liquid water path (LWP). We present observations which indicate a positive correlation between aerosol and cloud LWP only when considering cases with low atmospheric water vapor (PWV)

A statistical study of EMIC waves observed by Cluster. 1. Wave properties. EMIC Wave Properties

DOE PAGES

Allen, R. C.; Zhang, J. -C.; Kistler, L. M.; ...

2015-07-23

Electromagnetic ion cyclotron (EMIC) waves are an important mechanism for particle energization and losses inside the magnetosphere. In order to better understand the effects of these waves on particle dynamics, detailed information about the occurrence rate, wave power, ellipticity, normal angle, energy propagation angle distributions, and local plasma parameters are required. Previous statistical studies have used in situ observations to investigate the distribution of these parameters in the magnetic local time versus L-shell (MLT-L) frame within a limited magnetic latitude (MLAT) range. In our study, we present a statistical analysis of EMIC wave properties using 10 years (2001–2010) of datamore » from Cluster, totaling 25,431 min of wave activity. Due to the polar orbit of Cluster, we are able to investigate EMIC waves at all MLATs and MLTs. This allows us to further investigate the MLAT dependence of various wave properties inside different MLT sectors and further explore the effects of Shabansky orbits on EMIC wave generation and propagation. Thus, the statistical analysis is presented in two papers. OUr paper focuses on the wave occurrence distribution as well as the distribution of wave properties. The companion paper focuses on local plasma parameters during wave observations as well as wave generation proxies.« less

Galactic gamma-ray observations and galactic structure

NASA Technical Reports Server (NTRS)

Stecker, F. W.

1975-01-01

Recent observations of gamma-rays originating in the galactic disk together with radio observations, support an emerging picture of the overall structure of our galaxy with higher interstellar gas densities and star formation rates in a region which corresponds to that of the inner arms. The emerging picture is one where molecular clouds make up the dominant constituent of the interstellar gas in the inner galaxy and play a key role in accounting for the gamma-rays and phenomena associated with the production of young stars and other population 1 objects. In this picture, cosmic rays are associated with supernovae and are primarily of galactic origin. These newly observed phenomena can be understood as consequences of the density wave theories of spiral structure. Based on these new developments, the suggestion is made that a new galactic population class, Population O, be added to the standard Populations 1 and 2 in order to recognize important differences in dynamics and distribution between diffuse galactic H1 and interstellar molecular clouds.

Tribological Properties of Structural Ceramics

NASA Technical Reports Server (NTRS)

Buckley, Donald H.; Miyoshi, Kazuhisa

1987-01-01

Paper discusses tribological properties of structural ceramics. Function of tribological research is to bring about reduction in adhesion, friction, and wear of mechanical components; to prevent failures; and to provide long, reliable component life, through judicious selection of materials, operating parameters, and lubricants. Paper reviews adhesion, friction, wear, and lubrication of ceramics; anisotropic friction and wear behavior; and effects of surface films and interactions between ceramics and metals. Analogies with metals are made. Both oxide and nonoxide ceramics, including ceramics used as high temperature lubricants, are dicussed.

Pseudopotential plane-wave calculation of the structural properties of yttrium

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

Wang, Y.; Chou, M.Y.

1991-11-01

The structural properties of hexagonal-close-packed yttrium are studied by using the plane-wave basis within the pseudopotential method and local-density-functional approximation. By employing a soft'' pseudopotential proposed by Troullier and Martins, satisfactory convergence is achieved with a plane-wave energy cutoff of 30--40 Ry for this early-transition-metal element. The overall results for the structural properties are in good agreement with experiment. It is found that the charge overlap between core and valence electrons has a substantial effect on the accuracy of the calculated structural properties. Two different calculations are performed with and without the outer-core 4{ital p} orbital included as a valencemore » state. In addition, as found in some other local-density calculations, the uncertainty in the results due to different exchange-correlation energy functionals may not be negligible in transition metals.« less

Battery Berry Observation Station, detail, frame structure meeting older masonry ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Battery Berry Observation Station, detail, frame structure meeting older masonry building on west side of structure; view east - Fort McKinley, Battery Berry Observation Station, North side of Wood Side Drive approximately 80 feet east of Spring Cove Lane, Great Diamond Island, Portland, Cumberland County, ME

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.

Titan's aerosol optical properties with VIMS observations at the limb of Titan

NASA Astrophysics Data System (ADS)

Rannou, Pascal; Seignovert, Benoit; Lavvas, Panayotis; Lemouelic, Stéphane; Sotin, Christophe

2015-11-01

The study of Titan properties with remote sensing relies on a good knowledge of the atmosphere properties. The in-situ observations made by Huygens combined with recent advances in the definition of methane properties enable to model and interpret observations with a very good accuracy. Thanks to these progresses, we can analyze in this work the observations made at the limb of Titan in order to retrieve information on the haze properties as its vertical profiles but also the spectral behaviour between 0.88 and 5.2 μm.To study the haze layer and more generally the source of opacities in the stratosphere, we use som observation made at the limbe of Titan by the VIMS instrument onboard Cassini. We used a model in spherical geometry and in single scattering, and we accounted for the multiple scattering with a parallel plane model that evaluate the multiple scattering source function at the plane of the limb.Our scope is to retrieve informations about the vertical distribution of the haze, its spectral properties, but also to obtain details about the shape of the methane windows to disantangle the role of the methane and of the aerosols.We started our study at the latitude of 55°N, with a image taken in 2006 with a relatively high spatial resolution (for VIMS). Our preliminary results shows the spectral properties of the aerosols are the same whatever the altitude. This is a consequence of the large scale mixing. From limb profile between 0.9 and 5.2 μm, we can probe the haze layer from about 500 km (at 0.9 μm) to the ground (at 5.2 μm). We find that the vertical profile of the haze layer shows three distinct scale heights with transitions around 250 km and 350 km. We also clearly a transition around 70-90 km that may be due to the top of a condensation layer.

Sequentially distant but structurally similar proteins exhibit fold specific patterns based on their biophysical properties.

PubMed

Rajendran, Senthilnathan; Jothi, Arunachalam

2018-05-16

The Three-dimensional structure of a protein depends on the interaction between their amino acid residues. These interactions are in turn influenced by various biophysical properties of the amino acids. There are several examples of proteins that share the same fold but are very dissimilar at the sequence level. For proteins to share a common fold some crucial interactions should be maintained despite insignificant sequence similarity. Since the interactions are because of the biophysical properties of the amino acids, we should be able to detect descriptive patterns for folds at such a property level. In this line, the main focus of our research is to analyze such proteins and to characterize them in terms of their biophysical properties. Protein structures with sequence similarity lesser than 40% were selected for ten different subfolds from three different mainfolds (according to CATH classification) and were used for this analysis. We used the normalized values of the 49 physio-chemical, energetic and conformational properties of amino acids. We characterize the folds based on the average biophysical property values. We also observed a fold specific correlational behavior of biophysical properties despite a very low sequence similarity in our data. We further trained three different binary classification models (Naive Bayes-NB, Support Vector Machines-SVM and Bayesian Generalized Linear Model-BGLM) which could discriminate mainfold based on the biophysical properties. We also show that among the three generated models, the BGLM classifier model was able to discriminate protein sequences coming under all beta category with 81.43% accuracy and all alpha, alpha-beta proteins with 83.37% accuracy. Copyright © 2018 Elsevier Ltd. All rights reserved.

Optical, electrical properties and structural characterization of ZnO:rGO based photodetector

NASA Astrophysics Data System (ADS)

Nath, Debarati; Mandal, S. K.; Deb, Debajit; Rakshit, J. K.; Dey, P.; Roy, J. N.

2018-04-01

Pure ZnO and ZnO:rGO composite films are prepared by sol-gel process and the effect of reduced graphene oxide(rGO) on structural, optical and electrical properties of the film are studied. UV-visspectrum shows that composite film exhibit similar optical absorbance property as pure ZnOfilm. Band gap of the film is changed from 3.32 to 3.21 eV by incorporation of rGO. From current-voltage curve it can be observed that photo current is increased significantly in composite film under red laser light illumination. This result suggests that conduction mechanism in composite film is dominated by rGO. Nyquist plot of both films show only one semicircle behavior in measured frequency range, which may be attributed to grain boundaries effects in the composite.

Energetics and structural properties of twist grain boundaries in Cu

NASA Technical Reports Server (NTRS)

Karimi, Majid

1992-01-01

Structural and energetics properties of atoms near a grain boundary are of great importance from theoretical and experimental standpoints. From various experimental work it is concluded that diffusion at low temperatures at polycrystalline materials take place near grain boundary. Experimental and theoretical results also indicate changes of up to 70 percent in physical properties near a grain boundary. The Embedded Atom Method (EAM) calculations on structural properties of Au twist grain boundaries are in quite good agreement with their experimental counterparts. The EAM is believed to predict reliable values for the single vacancy formation energy as well as migration energy. However, it is not clear whether the EAM functions which are fitted to the bulk properties of a perfect crystalline solid can produce reliable results on grain boundaries. One of the objectives of this work is to construct the EAM functions for Cu and use them in conjunction with the molecular static simulation to study structures and energetics of atoms near twist grain boundaries in Cu. This provides tests of the EAM functions near a grain boundary. In particular, we determine structure, single vacancy formation energy, migration energy, single vacancy activation energy, and interlayer spacing as a function of distance from grain boundary. Our results are compared with the available experimental and theoretical results from grain boundaries and bulk.

The Structure and Properties of Parachute Cloths

NASA Technical Reports Server (NTRS)

Mcnicholas, H J; Hedrick, F

1930-01-01

The requisite properties of a parachute cloth are discussed and the methods for measuring these properties described. In addition to the structural analysis of the cloths, the properties measured were weight, breaking strength, tear resistance, elasticity, and air permeability. Thirty-six silk cloths of domestic manufacture, not previously used in parachute construction are compared with some silk cloths of foreign manufacture. These foreign cloths were ones proven by trial and extended use to be suitable materials for parachute construction. Contrary to the belief that domestic woven cloths were not suitable materials for parachute construction, it is shown that many domestic silk cloths are satisfactory and in some respects superior to the foreign products. Based on a comparative study of all the cloths, specifications are drawn for the manufacture of silk parachute cloth.

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.

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.

Structure-property relations and modeling of small crack fatigue behavior of various magnesium alloys

NASA Astrophysics Data System (ADS)

Bernard, Jairus Daniel

Lightweight structural components are important to the automotive and aerospace industries so that better fuel economy can be realized. Magnesium alloys in particular are being examined to fulfill this need due to their attractive stiffness- and strength-to-weight ratios when compared to other materials. However, when introducing a material into new roles, one needs to properly characterize its mechanical properties. Fatigue behavior is especially important considering aerospace and automotive component applications. Therefore, quantifying the structure-property relationships and accurately predicting the fatigue behavior for these materials are vital. This study has two purposes. The first is to quantify the structure-property relationships for the fatigue behavior in an AM30 magnesium alloy. The second is to use the microstructural-based MultiStage Fatigue (MSF) model in order to accurately predict the fatigue behavior of three magnesium alloys: AM30, Elektron 21, and AZ61. While some studies have previously quantified the MSF material constants for several magnesium alloys, detailed research into the fatigue regimes, notably the microstructurally small crack (MSC) region, is lacking. Hence, the contribution of this work is the first of its kind to experimentally quantify the fatigue crack incubation and MSC regimes that are used for the MultiStage Fatigue model. Using a multi-faceted experimental approach, these regimes were explored with a replica method that used a dual-stage silicone based compound along with previously published in situ fatigue tests. These observations were used in calibrating the MultiStage Fatigue model.

A new Cu–cysteamine complex: structure and optical properties

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

Ma, Lun; Chen, Wei; Schatte, Gabriele

2014-06-07

Here we report the structure and optical properties of a new Cu–cysteamine complex (Cu–Cy) with a formula of Cu3Cl(SR)2 (R ¼ CH2CH2NH2). This Cu–Cy has a different structure from a previous Cu–Cy complex, in which both thio and amine groups from cysteamine bond with copper ions. Single-crystal X-ray diffraction and solid-state nuclear magnetic resonance results show that the oxidation state of copper in Cu3Cl(SR)2 is +1 rather than +2. Further, Cu3Cl(SR)2 has been observed to show intense photoluminescence and X-ray excited luminescence. More interesting is that Cu3Cl(SR)2 particles can produce singlet oxygen under irradiation by light or X-ray. This indicatesmore » that Cu3Cl(SR)2 is a new photosensitizer that can be used for deep cancer treatment as X-ray can penetrate soft tissues. All these findings mean that Cu3Cl(SR)2 is a new material with potential applications for lighting, radiation detection and cancer treatment.« less

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.

Properties of Air Traffic Conflicts for Free and Structured Routing

NASA Technical Reports Server (NTRS)

Bilimoria, Karl D.; Lee, Hilda Q.

2001-01-01

This paper analyzes the properties of air traffic conflicts in a future free routing system against those in the current structured routing system. Simulation of en route air traffic operations (above 18,000 ft) over the contiguous United States for a 24-hour period, constructed with initial conditions from actual air traffic data, were conducted using the Future ATM Concepts Evaluation Tool (FACET). Free routes were modeled as great circle (direct) routes from origin to destination, and structured routes were derived from actual flight plans along the current system of air routes. The conflict properties analyzed in this study include: (1) Total number of conflicts; (2) Distributions of key conflict parameters; and, (3) Categorization of conflicts into independent conflicts and two types of interacting conflicts. Preliminary results (for Denver Center traffic) indicate that conflict properties in a free routing system are different from those in the current structured routing system. In particular, a free routing system has significantly fewer conflicts, involving a correspondingly smaller number of aircraft, compared to the current structured routing system. Additionally, the conflict parameter distributions indicate that free routing conflicts are less intrusive than structured routing conflicts, and would therefore require small trajectory deviations for resolution.

The effects of Bi4Ti3O12 interfacial ferroelectric layer on the dielectric properties of Au/n-Si structures

NASA Astrophysics Data System (ADS)

Gökçen, Muharrem; Yıldırım, Mert

2015-06-01

Au/n-Si metal-semiconductor (MS) and Au/Bi4Ti3O12/n-Si metal-ferroelectric-semiconductor (MFS) structures were fabricated and admittance measurements were held between 5 kHz and 1 MHz at room temperature so that dielectric properties of these structures could be investigated. The ferroelectric interfacial layer Bi4Ti3O12 decreased the polarization voltage by providing permanent dipoles at metal/semiconductor interface. Depending on different mechanisms, dispersion behavior was observed in dielectric constant, dielectric loss and loss tangent versus bias voltage plots of both MS and MFS structures. The real and imaginary parts of complex modulus of MFS structure take smaller values than those of MS structure, because permanent dipoles in ferroelectric layer cause a large spontaneous polarization mechanism. While the dispersion in AC conductivity versus frequency plots of MS structure was observed at high frequencies, for MFS structure it was observed at lower frequencies.

Assessment of structural, thermal, and mechanical properties of portlandite through molecular dynamics simulations

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

Hajilar, Shahin, E-mail: shajilar@iastate.edu; Shafei, Behrouz, E-mail: shafei@iastate.edu

The structural, thermal, and mechanical properties of portlandite, the primary solid phase of ordinary hydrated cement paste, are investigated using the molecular dynamics method. To understand the effects of temperature on the structural properties of portlandite, the coefficients of thermal expansion of portlandite are determined in the current study and validated with what reported from the experimental tests. The atomic structure of portlandite equilibrated at various temperatures is then subjected to uniaxial tensile strains in the three orthogonal directions and the stress-strain curves are developed. Based on the obtained results, the effect of the direction of straining on the mechanicalmore » properties of portlandite is investigated in detail. Structural damage analysis is performed to reveal the failure mechanisms in different directions. The energies of the fractured surfaces are calculated in different directions and compared to those of the ideal surfaces available in the literature. The key mechanical properties, including tensile strength, Young's modulus, and fracture strain, are extracted from the stress-strain curves. The sensitivity of the obtained mechanical properties to temperature and strain rate is then explored in a systematic way. This leads to valuable information on how the structural and mechanical properties of portlandite are affected under various exposure conditions and loading rates. - Graphical abstract: Fracture mechanism of portlandite under uniaxial strain in the z-direction. - Highlights: • The structural, thermal, and mechanical properties of portlandite are investigated. • The coefficients of thermal expansion are determined. • The stress-strain relationships are studied in three orthogonal directions. • The effects of temperature and strain rate on mechanical properties are examined. • The plastic energy required for fracture in the crystalline structure is reported.« less

Stochasticity in materials structure, properties, and processing—A review

NASA Astrophysics Data System (ADS)

Hull, Robert; Keblinski, Pawel; Lewis, Dan; Maniatty, Antoinette; Meunier, Vincent; Oberai, Assad A.; Picu, Catalin R.; Samuel, Johnson; Shephard, Mark S.; Tomozawa, Minoru; Vashishth, Deepak; Zhang, Shengbai

2018-03-01

We review the concept of stochasticity—i.e., unpredictable or uncontrolled fluctuations in structure, chemistry, or kinetic processes—in materials. We first define six broad classes of stochasticity: equilibrium (thermodynamic) fluctuations; structural/compositional fluctuations; kinetic fluctuations; frustration and degeneracy; imprecision in measurements; and stochasticity in modeling and simulation. In this review, we focus on the first four classes that are inherent to materials phenomena. We next develop a mathematical framework for describing materials stochasticity and then show how it can be broadly applied to these four materials-related stochastic classes. In subsequent sections, we describe structural and compositional fluctuations at small length scales that modify material properties and behavior at larger length scales; systems with engineered fluctuations, concentrating primarily on composite materials; systems in which stochasticity is developed through nucleation and kinetic phenomena; and configurations in which constraints in a given system prevent it from attaining its ground state and cause it to attain several, equally likely (degenerate) states. We next describe how stochasticity in these processes results in variations in physical properties and how these variations are then accentuated by—or amplify—stochasticity in processing and manufacturing procedures. In summary, the origins of materials stochasticity, the degree to which it can be predicted and/or controlled, and the possibility of using stochastic descriptions of materials structure, properties, and processing as a new degree of freedom in materials design are described.

Changes in structural and antigenic properties of proteins by radiation

NASA Astrophysics Data System (ADS)

Kume, Tamikazu; Matsuda, Tsukasa

1995-08-01

Radiation effect on structural and antigenic properties of proteins (0.2% in 0.01 M phosphate buffer, pH 7.4) were investigated using ovalbumin (OVA) and bovine serum albumin (BSA). Aggregation of OVA and BSA was induced by radiation and the molecular mass increased significantly in N 2. Significant changes in surface hydrophobicity and [ θ] 222 nm of CD were also observed by radiation showing the destruction of secondary structure of proteins. Antigenicity of irradiated OVA measured by the method of immunodiffusion was decreased by radiation, and the reactivity to anti-OVA antibody was almost diminished at 8 kGy in N 2 and 4 kGy in O 2, respectively. The reactivity of BSA was diminished at 4 kGy both in N 2 and O 2. Changes in hydrophobicity of OVA did not correspond to the decrease in antigenicity, whereas the changes in [ θ] 222 nm relatively well corresponded to the antigenicity. The SDS-PAGE and immunoblotting analysis showed that radiation at higher doses induced the production of protein aggregates and degraded fragments with reactivity to the specific antibodies. These results suggest that the main part of conformation-dependent antigenic structure (conformational epitope) is easily lost by radiation, but some antigenicity, which is mostly due to the amino acid sequence-dependent antigenic structures (sequential epitopes), remains even at higher dose.

Rheological properties in relation to molecular structure of quinoa starch.

PubMed

Li, Guantian; Zhu, Fan

2018-07-15

Quinoa starch granules are small (~0.5 - 3μm) with potentials for some food and other applications. To better exploit it as a new starch resource, this study investigates the steady shear and dynamic oscillatory properties of 9 quinoa starches varying in composition and structure. Steady shear analysis shows that the flow curves could be well described by 4 selected mathematic models. Temperature sweep analysis reveals that the quinoa starch encounters a 4-stage process including 2 phase transitions. Structure-function relationship analysis showed that composition as well as unit and internal chain length distribution of amylopectin have significant impact on the rheological properties (e.g., G' at 90°C) of quinoa starch. The roles of some individual unit chains and super-long unit chains of amylopectin in determining the rheological properties of quinoa starch were revealed. This study may stimulate further interest in understanding the structural basis of starch rheology. Copyright © 2018 Elsevier B.V. All rights reserved.

Structural and optical properties of Na-doped ZnO films

NASA Astrophysics Data System (ADS)

Akcan, D.; Gungor, A.; Arda, L.

2018-06-01

Zn1-xNaxO (x = 0.0-0.05) solutions have been synthesized by the sol-gel technique using Zinc acetate dihydrate and Sodium acetate which were dissolved into solvent and chelating agent. Na-doped ZnO nanoparticles were obtained from solutions to find phase and crystal structure. Na-doped ZnO films have been deposited onto glass substrate by using sol-gel dip coating system. The effects of dopant concentration on the structure, morphology, and optical properties of Na-doped ZnO thin films deposited on glass substrate are investigated. Characterization of Zn1-xNaxO nanoparticles and thin films are examined using differential thermal analysis (DTA)/thermogravimetric analysis (TGA), Scanning electron microscope (SEM) and X-Ray diffractometer (XRD). Optical properties of Zn1-xNaxO thin films were obtained by using PG Instruments UV-Vis-NIR spectrophotometer in 190-1100 nm range. The structure, morphology, and optical properties of thin films are presented.

Theoretical studies of structure-property relations in graphene-based carbon nanostructures

NASA Astrophysics Data System (ADS)

Maroudas, Dimitrios

2014-03-01

This presentation focuses on establishing relations between atomic structure, electronic structure, and properties in graphene-based carbon nanostructures through first-principles density functional theory calculations and molecular-dynamics simulations. We have analyzed carbon nanostructure formation from twisted bilayer graphene, upon creation of interlayer covalent C-C bonds due to patterned hydrogenation or fluorination. For small twist angles and twist angles near 30 degrees, interlayer covalent bonding generates superlattices of diamond-like nanocrystals and of fullerene-like configurations, respectively, embedded within the graphene layers. The electronic band gaps of these superlattices can be tuned through selective chemical functionalization and creation of interlayer bonds, and range from a few meV to over 1.2 eV. The mechanical properties of these superstructures also can be precisely tuned by controlling the extent of chemical functionalization. Importantly, the shear modulus is shown to increase monotonically with the fraction of sp3-hybridized C-C bonds. We have also studied collective interactions of multiple defects such as random distributions of vacancies in single-layer graphene (SLG). We find that a crystalline-to-amorphous structural transition occurs at vacancy concentrations of 5-10% over a broad temperature range. The structure of our defect-induced amorphized graphene is in excellent agreement with experimental observations of SLG exposed to a high electron irradiation dose. Simulations of tensile tests on these irradiated graphene sheets identify trends for the ultimate tensile strength, failure strain, and toughness as a function of vacancy concentration. The vacancy-induced amorphization transition is accompanied by a brittle-to-ductile transition in the failure response of irradiated graphene sheets and even heavily damaged samples exhibit tensile strengths near 30 GPa, in significant excess of those typical of engineering materials.

The Structure and Properties of Silica Glass Nanostructures using Novel Computational Systems

NASA Astrophysics Data System (ADS)

Doblack, Benjamin N.

The structure and properties of silica glass nanostructures are examined using computational methods in this work. Standard synthesis methods of silica and its associated material properties are first discussed in brief. A review of prior experiments on this amorphous material is also presented. Background and methodology for the simulation of mechanical tests on amorphous bulk silica and nanostructures are later presented. A new computational system for the accurate and fast simulation of silica glass is also presented, using an appropriate interatomic potential for this material within the open-source molecular dynamics computer program LAMMPS. This alternative computational method uses modern graphics processors, Nvidia CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model select materials, this enhancement allows the addition of accelerated molecular dynamics simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal of this project is to investigate the structure and size dependent mechanical properties of silica glass nanohelical structures under tensile MD conditions using the innovative computational system. Specifically, silica nanoribbons and nanosprings are evaluated which revealed unique size dependent elastic moduli when compared to the bulk material. For the nanoribbons, the tensile behavior differed widely between the models simulated, with distinct characteristic extended elastic regions. In the case of the nanosprings simulated, more clear trends are observed. In particular, larger nanospring wire cross-sectional radii (r) lead to larger Young's moduli, while larger helical diameters (2R) resulted in smaller Young's moduli. Structural transformations and theoretical models are also analyzed to identify

The influence of layers number on the structure and ferroelectric properties of BZT films

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

Andika, Rachmat, E-mail: rachmat.andika@sci.ui.ac.id; Toresano, La Ode Husein Z.; Soegijono, Bambang

2016-04-19

In recent study, the number of BaZrTiO{sub 3} layers were successively deposited on the Si-substrate by spin-coating process. The increasing of layers number affects the films structure which has been observed in XRD, while the ferroelectric properties have been analyzed by Sawyer-Tower. Perovskite tetragonal is observed in all films by the c-a axis ratio around 1.002 to 1.018, and the crystallite sizes were calculated from 75 nm to 129 nm. The maximum polarization value was found to be decreased during the increase of numbers of layers from 3 to 4 layers. On the contrary, the value was noticeably increased to the highestmore » value when 5 layers film was applied. The highest maximum polarization were recorded at 31.68 µC/cm{sup 2} and 34.12 µC/cm{sup 2} respectively for 5 layer BZT films in each 8 at.% and 10 at.% Zr content under electrical fields injection as triangle signal of Alternating Current (AC) 50 V/60 Hz. As the number of layers increases, the polarization field magnitude is significantly decreased. The general results of structure and ferroelectric properties of BZT films have been studied in the influence of layers number to enhance the electrical behavior.« less

Changes in Microbial Community Structure and Soil Biological Properties in Mined Dune Areas During Re-vegetation.

PubMed

Escobar, Indra Elena C; Santos, Vilma M; da Silva, Danielle Karla A; Fernandes, Marcelo F; Cavalcante, Uided Maaze T; Maia, Leonor C

2015-06-01

The aim of this study was to describe the impact of re-vegetation on the restoration of microbial community structure and soil microbiological properties in sand dunes that had been affected by mining activity. Soil samples were collected during the dry and rainy seasons from a chronosequence (1, 9, 21 years) of re-vegetated dunes using a single preserved dune as a reference. The composition of the fatty acid methyl esters and soil microbial properties were evaluated. The results showed that the changes in microbial community structure were related to seasonal variations: biomarkers of Gram-positive bacteria were higher than Gram-negative bacteria during the dry season, showing that this group of organisms is more tolerant to these stressful conditions. The microbial community structure in the natural dune was less affected by seasonal variation compared to the re-vegetated areas, whereas the opposite was observed for microbiological properties. Thus, in general, the proportion of saprobic fungi was higher in the natural dune, whereas Gram-negative bacteria were proportionally more common in the younger areas. Although over time the re-vegetation allows the recovery of the microbial community and the soil functions, these communities and functions are different from those found in the undisturbed areas.

Doping dependent crystal structures and optoelectronic properties of n-type CdSe:Ga nanowries.

PubMed

Hu, Zhizhong; Zhang, Xiujuan; Xie, Chao; Wu, Chunyan; Zhang, Xiaozhen; Bian, Liang; Wu, Yiming; Wang, Li; Zhang, Yuping; Jie, Jiansheng

2011-11-01

Although CdSe nanostructures possess excellent electrical and optical properties, efforts to make nano-optoelectronic devices from CdSe nanostructures have been hampered by the lack of efficient methods to rationally control their structural and electrical characteristics. Here, we report CdSe nanowires (NWs) with doping dependent crystal structures and optoelectronic properties by using gallium (Ga) as the efficient n-type dopant via a simple thermal co-evaporation method. The phase change of CdSe NWs from wurtzite to zinc blende with increased doping level is observed. Systematical measurements on the transport properties of the CdSe:Ga NWs reveal that the NW conductivity could be tuned in a wide range of near nine orders of magnitude by adjusting the Ga doping level and a high electron concentration up to 4.5 × 10(19) cm(-3) is obtained. Moreover, high-performance top-gate field-effect transistors are constructed based on the individual CdSe:Ga NWs by using high-κ HfO(2) as the gate dielectric. The great potential of the CdSe:Ga NWs as high-sensitive photodetectors and nanoscale light emitters is also exploited, revealing the promising applications of the CdSe:Ga NWs in new-generation nano-optoelectronics.

Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses.

PubMed

Baral, Khagendra; Li, Aize; Ching, Wai-Yim

2017-10-12

A density functional theory (DFT)-based ab initio molecular dynamics (AIMD) has been applied to simulate models of single and mixed alkali silicate glasses with two different molar concentrations of alkali oxides. The structural environments and spatial distributions of alkali ions in the 10 simulated models with 20% and 30% of Li, Na, K and equal proportions of Li-Na and Na-K are studied in detail for subtle variations among the models. Quantum mechanical calculations of electronic structures, interatomic bonding, and mechanical and optical properties are carried out for each of the models, and the results are compared with available experimental observation and other simulations. The calculated results are in good agreement with the experimental data. We have used the novel concept of using the total bond order density (TBOD), a quantum mechanical metric, to characterize internal cohesion in these glass models. The mixed alkali effect (MAE) is visible in the bulk mechanical properties but not obvious in other physical properties studied in this paper. We show that Li doping deviates from expected trend due to the much stronger Li-O bonding than those of Na and K doping. The approach used in this study is in contrast with current studies in alkali-doped silicate glasses based only on geometric characterizations.

Molecular dynamics modelling of mechanical properties of polymers for adaptive aerospace structures

NASA Astrophysics Data System (ADS)

Papanikolaou, Michail; Drikakis, Dimitris; Asproulis, Nikolaos

2015-02-01

The features of adaptive structures depend on the properties of the supporting materials. For example, morphing wing structures require wing skin materials, such as rubbers that can withstand the forces imposed by the internal mechanism while maintaining the required aerodynamic properties of the aircraft. In this study, Molecular Dynamics and Minimization simulations are being used to establish well-equilibrated models of Ethylene-Propylene-Diene Monomer (EPDM) elastomer systems and investigate their mechanical properties.

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.

Universal structural parameter to quantitatively predict metallic glass properties

DOE PAGES

Ding, Jun; Cheng, Yong-Qiang; Sheng, Howard; ...

2016-12-12

Quantitatively correlating the amorphous structure in metallic glasses (MGs) with their physical properties has been a long-sought goal. Here we introduce flexibility volume' as a universal indicator, to bridge the structural state the MG is in with its properties, on both atomic and macroscopic levels. The flexibility volume combines static atomic volume with dynamics information via atomic vibrations that probe local configurational space and interaction between neighbouring atoms. We demonstrate that flexibility volume is a physically appropriate parameter that can quantitatively predict the shear modulus, which is at the heart of many key properties of MGs. Moreover, the new parametermore » correlates strongly with atomic packing topology, and also with the activation energy for thermally activated relaxation and the propensity for stress-driven shear transformations. These correlations are expected to be robust across a very wide range of MG compositions, processing conditions and length scales.« less

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.

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.

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 Aftercare and School Observation System (ASOS): Reliability and Component Structure.

PubMed

Ingoldsby, Erin M; Shelleby, Elizabeth C; Lane, Tonya; Shaw, Daniel S; Dishion, Thomas J; Wilson, Melvin N

2013-10-01

This study examines the psychometric properties and component structure of a newly developed observational system, the Aftercare and School Observation System (ASOS). Participants included 468 children drawn from a larger longitudinal intervention study. The system was utilized to assess participant children in school lunchrooms and recess and various afterschool environments. Exploratory factor analyses examined whether a core set of component constructs assessing qualities of children's relationships, caregiver involvement and monitoring, and experiences in school and aftercare contexts that have been linked to children's behavior problems would emerge. Construct validity was assessed by examining associations between ASOS constructs and questionnaire measures assessing children's behavior problems and relationship qualities in school and aftercare settings. Across both settings, two factors showed very similar empirical structures and item loadings, reflecting the constructs of a negative/aggressive context and caregiver positive involvement, with one additional unique factor from the school setting reflecting the extent to which caregiver methods used resulted in less negative behavior and two additional unique factors from the aftercare setting reflecting positivity in the child's interactions and general environment and negativity in the child's interactions and setting. Modest correlations between ASOS factors and aftercare provider and teacher ratings of behavior problems, adult-child relationships, and a rating of school climate contributed to our interpretation that the ASOS scores capture meaningful features of children's experiences in these settings. This study represents the first step of establishing that the ASOS reliably and validly captures risk and protective relationships and experiences in extra-familial settings.

Modeling process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Yu, Cheng; Liu, Zeliang; Lian, Yanping; Wolff, Sarah; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-02-01

This paper presents our latest work on comprehensive modeling of process-structure-property relationships for additive manufacturing (AM) materials, including using data-mining techniques to close the cycle of design-predict-optimize. To illustrate the processstructure relationship, the multi-scale multi-physics process modeling starts from the micro-scale to establish a mechanistic heat source model, to the meso-scale models of individual powder particle evolution, and finally to the macro-scale model to simulate the fabrication process of a complex product. To link structure and properties, a highefficiency mechanistic model, self-consistent clustering analyses, is developed to capture a variety of material response. The model incorporates factors such as voids, phase composition, inclusions, and grain structures, which are the differentiating features of AM metals. Furthermore, we propose data-mining as an effective solution for novel rapid design and optimization, which is motivated by the numerous influencing factors in the AM process. We believe this paper will provide a roadmap to advance AM fundamental understanding and guide the monitoring and advanced diagnostics of AM processing.

Graph Theoretic Foundations of Multibody Dynamics Part I: Structural Properties

PubMed Central

Jain, Abhinandan

2011-01-01

This is the first part of two papers that use concepts from graph theory to obtain a deeper understanding of the mathematical foundations of multibody dynamics. The key contribution is the development of a unifying framework that shows that key analytical results and computational algorithms in multibody dynamics are a direct consequence of structural properties and require minimal assumptions about the specific nature of the underlying multibody system. This first part focuses on identifying the abstract graph theoretic structural properties of spatial operator techniques in multibody dynamics. The second part paper exploits these structural properties to develop a broad spectrum of analytical results and computational algorithms. Towards this, we begin with the notion of graph adjacency matrices and generalize it to define block-weighted adjacency (BWA) matrices and their 1-resolvents. Previously developed spatial operators are shown to be special cases of such BWA matrices and their 1-resolvents. These properties are shown to hold broadly for serial and tree topology multibody systems. Specializations of the BWA and 1-resolvent matrices are referred to as spatial kernel operators (SKO) and spatial propagation operators (SPO). These operators and their special properties provide the foundation for the analytical and algorithmic techniques developed in the companion paper. We also use the graph theory concepts to study the topology induced sparsity structure of these operators and the system mass matrix. Similarity transformations of these operators are also studied. While the detailed development is done for the case of rigid-link multibody systems, the extension of these techniques to a broader class of systems (e.g. deformable links) are illustrated. PMID:22102790

Structure, Chemistry and Property Correlations in FeSe and 122 Pnictides

NASA Astrophysics Data System (ADS)

Cava, Robert

2010-03-01

Determining how crystal structure and chemical bonding influence the properties of solids is at the heart of collaborative research programs between materials physicists and solid state chemists. In some materials, the high Tc copper oxides and colossal magnetoresistance manganates, for example, the subtleties of how structure, bonding and properties are coupled yields an almost baffling complexity, while in others, such as many classical intermetallic superconductors, the properties are more easily understood, with bonding and structure playing a less profound role. The new superconducting pnictides appear to fall somewhere between these two limits, and have so far been the subject of relatively little study by solid state chemists. Here I will describe some of our recent work on superconducting FeSe and superconductor-related ``122'' (ThCr2Si2-type) solid solution phases as examples of the kinds of insights that structural and chemical studies can contribute to understanding these important materials.

Triple modifier effect on physical, optical and structural properties of boro tellurite zinc lithium glasses

NASA Astrophysics Data System (ADS)

Naresh, P.; Srinivasu, D.; Narsimlu, N.; Ch. Srinivas, Kavitha, B.; Deshpandhe, Uday; Kumar, K. Siva

2018-05-01

To investigate physical, optical and structural properties of glass samples of the Quaternary system (60-x)B2O3-xTeO2-10ZnO-30Li2O with x=0,5,10,15, and 20 mol% were prepared by conventional melt quenching technique. XRD confirmed the amorphous nature of all samples. Physical parameters like density, molar volume, Oxygen packing density and etc. calculated. Density of glass samples increased with the increase of TeO2 concentration due to the replacement of lighter B2O3 with heavier TeO2. Optical properties has studied with the help of UV-Visible spectra. Cut off wavelength is increases whereas Eopt and Urbache energies is decreased except intermediate mole fraction of TeO2 at which the triple modifier effect can be observed. Fourier Transform Infrared spectroscopy reveals that the network consists of TeO3 and TeO6 structural units along with BO3 and BO4 units.

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

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.

Structure and properties of fullerene molecular crystals with linear-scaling van der Waals density functional theory

NASA Astrophysics Data System (ADS)

Mostofi, Arash; Andrinopoulos, Lampros; Hine, Nicholas

2014-03-01

Fullerene molecular crystals are of technological promise for their use in heterojunction photovoltaic cells. An improved theoretical understanding of their structure and properties would be a step towards the rational design of new devices. Simulations based on density-functional theory (DFT) are invaluable for developing such insight, but standard semi-local functionals do not capture the important inter-molecular van der Waals (vdW) interactions in fullerene crystals. Furthermore the computational cost associated with the large unit cells needed are at the limit or beyond the capabilities of traditional DFT methods. In this work we overcome these limitations by using our implementation of a number of vdW-DFs in the ONETEP linear-scaling DFT code to study the structural properties of C60 molecular crystals. Powder neutron diffraction shows that the low-temperature Pa-3 phase is orientationally ordered with individual C60 units rotated around the [111] direction. We fully explore the energy landscape associated with the rotation angle and find two stable structures that are energetically very close, one of which corresponds to the experimentally observed structure. We further consider the effect of orientational disorder in very large supercells of thousands of atoms.

Amaranth, quinoa and chia protein isolates: Physicochemical and structural properties.

PubMed

López, Débora N; Galante, Micaela; Robson, María; Boeris, Valeria; Spelzini, Darío

2018-04-01

An increasing use of vegetable protein is required to support the production of protein-rich foods which can replace animal proteins in the human diet. Amaranth, chia and quinoa seeds contain proteins which have biological and functional properties that provide nutritional benefits due to their reasonably well-balanced aminoacid content. This review analyses these vegetable proteins and focuses on recent research on protein classification and isolation as well as structural characterization by means of fluorescence spectroscopy, surface hydrophobicity and differential scanning calorimetry. Isolation procedures have a profound influence on the structural properties of the proteins and, therefore, on their in vitro digestibility. The present article provides a comprehensive overview of the properties and characterization of these proteins. Copyright © 2017 Elsevier B.V. All rights reserved.

Structural and Thermodynamic Properties of Amyloid-β Peptides: Impact of Fragment Size

NASA Astrophysics Data System (ADS)

Kitahara, T.; Wise-Scira, O.; Coskuner, O.

2010-10-01

Alzheimer's disease is a progressive neurodegenerative disease whose physiological characteristics include the accumulation of amyloid-containing deposits in the brain and consequent synapse and neuron loss. Unfortunately, most widely used drugs for the treatment can palliate the outer symptoms but cannot cure the disease itself. Hence, developing a new drug that can cure it. Most recently, the ``early aggregation and monomer'' hypothesis has become popular and a few drugs have been developed based on this hypothesis. Detailed understanding of the amyloid-β peptide structure can better help us to determine more effective treatment strategies; indeed, the structure of Amyloid has been studied extensively employing experimental and theoretical tools. Nevertheless, those studies have employed different fragment sizes of Amyloid and characterized its conformational nature in different media. Thus, the structural properties might be different from each other and provide a reason for the existing debates in the literature. Here, we performed all-atom MD simulations and present the structural and thermodynamic properties of Aβ1-16, Aβ1-28, and Aβ1-42 in the gas phase and in aqueous solution. Our studies show that the overall structures, secondary structures, and the calculated thermodynamic properties change with increasing peptide size. In addition, we find that the structural properties of those peptides are different from each other in the gas phase and in aqueous solution.

Structural flexibility in magnetocaloric RE 5T 4 (RE=rare-earth; T=Si,Ge,Ga) materials: Effect of chemical substitution on structure, bonding and properties

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

Misra, Sumohan

The binary, ternary and multicomponent intermetallic compounds of rare-earth metals (RE) with group 14 elements (Tt) at the RE 5Tt 4 stoichiometry have been known for over 30 years, but only in the past decade have these materials become a gold mine for solid-state chemistry, materials science and condensed matter physics. It all started with the discovery of a giant magnetocaloric effect in Gd 5Si 2Ge 2, along with other extraordinary magnetic properties, such as a colossal magnetostriction and giant magnetoresistance. The distinctiveness of this series is in the remarkable flexibility of the chemical bonding between well-defined, subnanometer-thick slabs andmore » the resultant magnetic, transport, and thermodynamic properties of these materials. This can be controlled by varying either or both RE and Tt elements, including mixed rare-earth elements on the RE sites and different group 14 (or T = group 13 or 15) elements occupying the Tt sites. In addition to chemical means, the interslab interactions are also tunable by temperature, pressure, and magnetic field. Thus, this system provides a splendid 'playground' to investigate the interrelationships among composition, structure, physical properties, and chemical bonding. The work presented in this dissertation involving RE 5T 4 materials has resulted in the successful synthesis, characterization, property measurements, and theoretical analyses of various new intermetallic compounds. The results provide significant insight into the fundamental magnetic and structural behavior of these materials and help us better understand the complex link between a compound's composition, its observed structure, and its properties.« less

Structures and Mechanical Properties of Natural and Synthetic Diamonds. Chapter 8

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1998-01-01

A revolution in diamond technology is in progress as the low-pressure process becomes an industrial reality. It will soon be possible to take advantage of the demanding properties of diamond to develop a myriad of new applications, particularly for self-lubricating, wear, and superhard coatings. The production of large diamond films or sheets at low cost, a distinct possibility in the not-too-distant future, may drastically change tribology technology, particularly solid lubricants and lubricating materials and systems. This chapter reviews the structures and properties of natural and synthetic diamond to gain a better understanding of the tribological properties of diamond and related materials to be described in the following chapters. Atomic and crystal structure, impurities, mechanical properties, and indentation hardness of diamond are described.

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.

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.

Structure, electronic properties, and aggregation behavior of hydroxylated carbon nanotubes.

PubMed

López-Oyama, A B; Silva-Molina, R A; Ruíz-García, J; Gámez-Corrales, R; Guirado-López, R A

2014-11-07

We present a combined experimental and theoretical study to analyze the structure, electronic properties, and aggregation behavior of hydroxylated multiwalled carbon nanotubes (OH-MWCNT). Our MWCNTs have average diameters of ~2 nm, lengths of approximately 100-300 nm, and a hydroxyl surface coverage θ~0.1. When deposited on the air/water interface the OH-MWCNTs are partially soluble and the floating units interact and link with each other forming extended foam-like carbon networks. Surface pressure-area isotherms of the nanotube films are performed using the Langmuir balance method at different equilibration times. The films are transferred into a mica substrate and atomic force microscopy images show that the foam like structure is preserved and reveals fine details of their microstructure. Density functional theory calculations performed on model hydroxylated carbon nanotubes show that low energy atomic configurations are found when the OH groups form molecular islands on the nanotube's surface. This patchy behavior for the OH species is expected to produce nanotubes having reduced wettabilities, in line with experimental observations. OH doping yields nanotubes having small HOMO-LUMO energy gaps and generates a nanotube → OH direction for the charge transfer leading to the existence of more hole carriers in the structures. Our synthesized OH-MWCNTs might have promising applications.

[New methods for the evaluation of bone quality. Assessment of bone structural property using imaging.

PubMed

Ito, Masako

Structural property of bone includes micro- or nano-structural property of the trabecular and cortical bone, and macroscopic geometry. Radiological technique is useful to analyze the bone structural property;multi-detector row CT(MDCT)or high-resolution peripheral QCT(HR-pQCT)is available to analyze human bone in vivo . For the analysis of hip geometry, CT-based hip structure analysis(HSA)is available as well as DXA-based HSA. These structural parameters are related to biomechanical property, and these assessment tools provide information of pathological changes or the effects of anti-osteoporotic agents on bone.

Distributed rewiring model for complex networking: The effect of local rewiring rules on final structural properties.

PubMed

López Chavira, Magali Alexander; Marcelín-Jiménez, Ricardo

2017-01-01

The study of complex networks has become an important subject over the last decades. It has been shown that these structures have special features, such as their diameter, or their average path length, which in turn are the explanation of some functional properties in a system such as its fault tolerance, its fragility before attacks, or the ability to support routing procedures. In the present work, we study some of the forces that help a network to evolve to the point where structural properties are settled. Although our work is mainly focused on the possibility of applying our ideas to Information and Communication Technologies systems, we consider that our results may contribute to understanding different scenarios where complex networks have become an important modeling tool. Using a discrete event simulator, we get each node to discover the shortcuts that may connect it with regions away from its local environment. Based on this partial knowledge, each node can rewire some of its links, which allows modifying the topology of the entire underlying graph to achieve new structural properties. We proposed a distributed rewiring model that creates networks with features similar to those found in complex networks. Although each node acts in a distributed way and seeking to reduce only the trajectories of its packets, we observed a decrease of diameter and an increase in clustering coefficient in the global structure compared to the initial graph. Furthermore, we can find different final structures depending on slight changes in the local rewiring rules.

Wave propagation as a marker of structural and topographic properties of human skin

NASA Astrophysics Data System (ADS)

Djaghloul, M.; Abdouni, A.; Thieulin, C.; Zahouani, H.

2018-06-01

Chronological skin ageing is a phenomenon which imposes structural and functional changes on the cutaneous tissue. Mechanically, these changes can be related to structural rearrangements of the cutaneous tissue on surface and in volume (layers thickness). At the micro-structural level, the constitutional elements of the skin, collagen and elastin fibres, undergo also this rearrangement. The evolution of skin’s mechanical properties at this level is the origin of a primordial in-vivo mechanical characteristic known as the natural pretension. In the context of understanding the in-vivo skin mechanical behaviour, related to the natural pretension, a lot of instrumentations have been demonstrated in the literature. They are mainly based on the interaction between dynamic adapted solicitation and the observed reaction on the skin. In this study, we evaluate the mechanical behaviour of human skin, following an impact which induces wave propagation. The use of impact solicitation allows the direct correlation between the dynamic induced reaction (vibration, and wave propagation) of the cutaneous tissue and its mechanical property. In our development, impact solicitation is contactless, with an air blast as generator of local deformation. The estimation of the speed of wave propagation enables the characterization of the mechanical behaviour of the skin. In order to validate the developed approaches, to understand the chronological ageing, gender and anisotropy effects on the skin properties, measurements have been realized on 77 healthy volunteers separated in five age groups. The obtained results are consistent with earlier works and confirm the efficiency of the developed instrumentation to estimate the changes of mechanical behaviour of the skin under age and gender effects.

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.

Optical properties of humic substances and CDOM: relation to structure.

PubMed

Boyle, Erin S; Guerriero, Nicolas; Thiallet, Anthony; Del Vecchio, Rossana; Blough, Neil V

2009-04-01

The spectral dependencies of absorption and fluorescence emission (emission maxima (lamdamax), quantum yields (phi), and mean lifetimes (taum)) were acquired for a commercial lignin, Suwannee River humic (SRHA) and fulvic (SRFA) acids, and a series solid phase extracts (C18) from the Middle Atlantic Bight (MAB extracts). These parameters were compared with the relative average size and total lignin phenol content (TLP). TLP was strongly correlated with absorption at 280 and 355 nm for the MAB extracts, SRHA, and SRFA. The spectral dependence of lamdamax, phi), and taum was very similar for all samples, suggesting a common photophysical and thus structural basis. A strong decrease of phi and taum with increasing average size indicates that intramolecular interactions must be important. When combined with previous work, the results lead us to conclude that the optical properties commonly associated with terrestrial humic substances and chromophoric dissolved organic matter arise primarily from an ensemble of partially oxidized lignins derived from vascular plant sources. Theyfurther provide additional support for an electronic interaction model in which intramolecular energy transfer, excited-state electron transfer, as well as charge transfer likely play important roles in producing the observed optical and photochemical properties of these materials.

Material Properties Analysis of Structural Members in Pumpkin Balloons

NASA Technical Reports Server (NTRS)

Sterling, W. J.

2003-01-01

The efficient design, service-life qualification, and reliability predictions for lightweight aerospace structures require careful mechanical properties analysis of candidate structural materials. The demand for high-quality laboratory data is particularly acute when the candidate material or the structural design has little history. The pumpkin-shaped super-pressure balloon presents both challenges. Its design utilizes load members (tendons) extending from apex to base around the gas envelope to achieve a lightweight structure. The candidate tendon material is highly weight-efficient braided HM cord. Previous mechanical properties studies of Zylon have focused on fiber and yarn, and industrial use of the material in tensile applications is limited. For high-performance polymers, a carefully plamed and executed properties analysis scheme is required to ensure the data are relevant to the desired application. Because no directly-applicable testing standard was available, a protocol was developed based on guidelines fiom professional and industry organizations. Due to the liquid-crystalline nature of the polymer, the cord is very stiff, creeps very little, and does not yield. Therefore, the key material property for this application is the breaking strength. The pretension load and gauge length were found to have negligible effect on the measured breaking strength over the ranges investigated. Strain rate was found to have no effect on breaking strength, within the range of rates suggested by the standards organizations. However, at the lower rate more similar to ULDB operations, the strength was reduced. The breaking strength increased when the experiment temperature was decreased from ambient to 183K which is the lowest temperature ULDB is expected to experience. The measured strength under all test conditions was well below that resulting from direct scale-up of fiber strength based on the manufacturers data. This expected result is due to the effects of the

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.

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.

Decorin expression is important for age-related changes in tendon structure and mechanical properties

PubMed Central

Dunkman, Andrew A.; Buckley, Mark R.; Mienaltowski, Michael J.; Adams, Sheila M.; Thomas, Stephen J.; Satchell, Lauren; Kumar, Akash; Pathmanathan, Lydia; Beason, David P.; Iozzo, Renato V.; Birk, David E.; Soslowsky, Louis J.

2013-01-01

The aging population is at an increased risk of tendon injury and tendinopathy. Elucidating the molecular basis of tendon aging is crucial to understanding the age-related changes in structure and function in this vulnerable tissue. In this study, the structural and functional features of tendon aging are investigated. In addition, the roles of decorin and biglycan in the aging process were analyzed using transgenic mice at both mature and aged time points. Our hypothesis is that the increase in tendon injuries in the aging population is the result of altered structural properties that reduce the biomechanical function of the tendon and consequently increase susceptibility to injury. Decorin and biglycan are important regulators of tendon structure and therefore, we further hypothesized that decreased function in aged tendons is partly the result of altered decorin and biglycan expression. Biomechanical analyses of mature (day 150) and aged (day 570) patellar tendons revealed deteriorating viscoelastic properties with age. Histology and polarized light microscopy demonstrated decreased cellularity, alterations in tenocyte shape, and reduced collagen fiber alignment in the aged tendons. Ultrastructural analysis of fibril diameter distributions indicated an altered distribution in aged tendons with an increase of large diameter fibrils. Aged wild type tendons maintained expression of decorin which was associated with the structural and functional changes seen in aged tendons. Aged patellar tendons exhibited altered and generally inferior properties across multiple assays. However, decorin-null tendons exhibited significantly decreased effects of aging compared to the other genotypes. The amelioration of the functional deficits seen in the absence of decorin in aged tendons was associated with altered tendon fibril structure. Fibril diameter distributions in the decorin-null aged tendons were comparable to those observed in the mature wild type tendon with the absence