Investigation of non-linear contact for a clearance-fit bolt in a graphite/epoxy laminate

NASA Technical Reports Server (NTRS)

Prabhakaran, R.; Naik, R. A.

1986-01-01

Numerous analytical studies have been published for the nonlinear load-contact variations in clearance-fit bolted joints. In these studies, stress distributions have been obtained and failure predictions have been made. However, very little experimental work has been reported regarding the contact or the stresses. This paper describes a fiber-optic technique for measuring the angle of contact in a clearance-fit bolt-loaded hole. Measurements of the contact angle have been made in a quasi-isotropic graphite-epoxy laminate by the optical as well as an electrical technique, and the results have been compared with those obtained from a finite-element analysis. The results from the two experimental techniques show excellent agreement; the finite-element results show some discrepancy, probably due to the interfacial frictions.

Finite-Time and Fixed-Time Cluster Synchronization With or Without Pinning Control.

PubMed

Liu, Xiwei; Chen, Tianping

2018-01-01

In this paper, the finite-time and fixed-time cluster synchronization problem for complex networks with or without pinning control are discussed. Finite-time (or fixed-time) synchronization has been a hot topic in recent years, which means that the network can achieve synchronization in finite-time, and the settling time depends on the initial values for finite-time synchronization (or the settling time is bounded by a constant for any initial values for fixed-time synchronization). To realize the finite-time and fixed-time cluster synchronization, some simple distributed protocols with or without pinning control are designed and the effectiveness is rigorously proved. Several sufficient criteria are also obtained to clarify the effects of coupling terms for finite-time and fixed-time cluster synchronization. Especially, when the cluster number is one, the cluster synchronization becomes the complete synchronization problem; when the network has only one node, the coupling term between nodes will disappear, and the synchronization problem becomes the simplest master-slave case, which also includes the stability problem for nonlinear systems like neural networks. All these cases are also discussed. Finally, numerical simulations are presented to demonstrate the correctness of obtained theoretical results.

Material property for designing, analyzing, and fabricating space structures

NASA Technical Reports Server (NTRS)

Kolkailah, Faysal A.

1991-01-01

An analytical study was made of plasma assisted bullet projectile. The finite element analysis and the micro-macromechanic analysis was applied to an optimum design technique for the multilayered graphite-epoxy composite projectile that will achieve hypervelocity of 6 to 10 Km/s. The feasibility was determined of dialectics to monitor cure of graphite-epoxies. Several panels were fabricated, cured, and tested with encouraging results of monitoring the cure of graphite-epoxies. The optimum cure process for large structures was determined. Different orientation were used and three different curing cycles were employed. A uniaxial tensile test was performed on all specimens. The optimum orientation with the optimum cure cycle were concluded.

Progressive fracture of fiber composites

NASA Technical Reports Server (NTRS)

Irvin, T. B.; Ginty, C. A.

1983-01-01

Refined models and procedures are described for determining progressive composite fracture in graphite/epoxy angleplied laminates. Lewis Research Center capabilities are utilized including the Real Time Ultrasonic C Scan (RUSCAN) experimental facility and the Composite Durability Structural Analysis (CODSTRAN) computer code. The CODSTRAN computer code is used to predict the fracture progression based on composite mechanics, finite element stress analysis, and fracture criteria modules. The RUSCAN facility, CODSTRAN computer code, and scanning electron microscope are used to determine durability and identify failure mechanisms in graphite/epoxy composites.

Wave propagation in graphite/epoxy laminates due to impact

NASA Technical Reports Server (NTRS)

Tan, T. M.; Sun, C. T.

1982-01-01

The low velocity impact response of graphite-epoxy laminates is investigated theoretically and experimentally. A nine-node isoparametric finite element in conjunction with an empirical contact law was used for the theoretical investigation. Flat laminates subjected to pendulum impact were used for the experimental investigation. Theoretical results are in good agreement with strain gage experimental data. The collective results of the investigation indicate that the theoretical procedure describes the impact response of the laminate up to about 150 in/sec. impact velocity.

Finite-Element Vibration Analysis and Modal Testing of Graphite Epoxy Tubes and Correlation Between the Data

NASA Technical Reports Server (NTRS)

Taleghani, Barmac K.; Pappa, Richard S.

1996-01-01

Structural materials in the form of graphite epoxy composites with embedded rubber layers are being used to reduce vibrations in rocket motor tubes. Four filament-wound, graphite epoxy tubes were studied to evaluate the effects of the rubber layer on the modal parameters (natural vibration frequencies, damping, and mode shapes). Tube 1 contained six alternating layers of 30-degree helical wraps and 90-degree hoop wraps. Tube 2 was identical to tube 1 with the addition of an embedded 0.030-inch-thick rubber layer. Tubes 3 and 4 were identical to tubes 1 and 2, respectively, with the addition of a Textron Kelpoxy elastomer. This report compares experimental modal parameters obtained by impact testing with analytical modal parameters obtained by NASTRAN finite-element analysis. Four test modes of tube 1 and five test modes of tube 3 correlate highly with corresponding analytical predictions. Unsatisfactory correlation of test and analysis results occurred for tubes 2 and 4 and these comparisons are not shown. Work is underway to improve the analytical models of these tubes. Test results clearly show that the embedded rubber layers significantly increase structural modal damping as well as decrease natural vibration frequencies.

Finite Element Simulation of Solid Rocket Booster Separation Motors During Motor Firing

NASA Technical Reports Server (NTRS)

Yu. Weiping; Crane, Debora J.

2007-01-01

One of the toughest challenges facing Solid Rocket Booster (SRB) engineers is to ensure that any design changes made to the Shuttle-Derived Booster Separation Motors (BSM) for future space exploration vehicles is able to withstand the increasingly hostile motor firing environment without cracking its critical component - the graphite throat. This paper presents a critical analysis methodology and techniques for assessing effects of BSM design changes with great accuracy and precision. For current Space Shuttle operation, the motor firing occurs at SRB separation - approximately 125 seconds after Shuttle launch at an altitude of about 28 miles. The motor operation event lasts about two seconds, however, the surface temperature of the graphite throat increases approximately 3400 F in less than one second with a corresponding increase in surface pressure of approximately 2200 pounds per square inch (psi) in less than one-tenth of a second. To capture this process fully and accurately, a two-phase sequentially coupled thermal-mechanical finite element approach was developed. This method allows the time- and location-dependent pressure fields to interact with the spatial-temporal thermal fields throughout the operation. The material properties of graphite throat are orthotropic and temperature-dependent. The analysis involves preload and multiple body contacts.

Determining whether metals nucleate homogeneously on graphite: A case study with copper

DOE PAGES

Appy, David; Lei, Huaping; Han, Yong; ...

2014-11-05

In this study, we observe that Cu clusters grow on surface terraces of graphite as a result of physical vapor deposition in ultrahigh vacuum. We show that the observation is incompatible with a variety of models incorporating homogeneous nucleation and calculations of atomic-scale energetics. An alternative explanation, ion-mediated heterogeneous nucleation, is proposed and validated, both with theory and experiment. This serves as a case study in identifying when and whether the simple, common observation of metal clusters on carbon-rich surfaces can be interpreted in terms of homogeneous nucleation. We describe a general approach for making system-specific and laboratory-specific predictions.

Stability of buckminsterfullerene and related carbon clusters

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

Newton, M.D.; Stanton, R.E.

1986-04-30

Under appropriate collisional conditions the mass spectrum of carbon fragments produced by laser vaporization of graphite is dominated by C/sub 60/ and (to a lesser extent) C/sub 70/ clusters. The discoverers of this phenomenon have noted that the carbon valence requirements can be satisfied in closed, hollow structures. For C/sub 60/ they suggest an icosahedral soccer ball network, which they call buckminsterfullerene and we abbreviate as BF. Experimental support has come from studies with lanthanum-impregnated graphite. The resulting mass spectra show intense C/sub 60/La peaks, but no C/sub n/La/sub 2/ or C/sub n/La/sub 3/ peaks. Subsequent experiments have demonstrated themore » inertness of C/sub 60/ and, indeed, other large C/sub 2n/ clusters under NO attack. We report here the results of quantum calculations which were prompted by the experiments cited above and other earlier work. Our purpose has been to test the intrinsic stability of BF and related polyhedral species and to compare their stability with that of planar graphite fragments. The latter have the advantage of being strain free, but suffer from dangling valences on their perimeters. We also make comparisons with linear carbon chains.« less

Carbon Fibers Conductivity Studies

NASA Technical Reports Server (NTRS)

Yang, C. Y.; Butkus, A. M.

1980-01-01

In an attempt to understand the process of electrical conduction in polyacrylonitrile (PAN)-based carbon fibers, calculations were carried out on cluster models of the fiber consisting of carbon, nitrogen, and hydrogen atoms using the modified intermediate neglect of differential overlap (MINDO) molecular orbital (MO) method. The models were developed based on the assumption that PAN carbon fibers obtained with heat treatment temperatures (HTT) below 1000 C retain nitrogen in a graphite-like lattice. For clusters modeling an edge nitrogen site, analysis of the occupied MO's indicated an electron distribution similar to that of graphite. A similar analysis for the somewhat less stable interior nitrogen site revealed a partially localized II electron distribution around the nitrogen atom. The differences in bonding trends and structural stability between edge and interior nitrogen clusters led to a two-step process proposed for nitrogen evolution with increasing HTT.

Formation of dysprosium carbide on the graphite (0001) surface

DOE PAGES

Lii-Rosales, Ann; Zhou, Yinghui; Wallingford, Mark; ...

2017-07-12

When using scanning tunneling microscopy, we characterize a surface carbide that forms such that Dy is deposited on the basal plane of graphite. In order to form carbide islands on terraces, Dy is first deposited at 650–800 K, which forms large metallic islands. Upon annealing at 1000 K, these clusters convert to carbide. Deposition directly at 1000 K is ineffective because nucleation on terraces is inhibited. Reaction is signaled by the fact that each carbide cluster is partially or totally surrounded by an etch pit. The etch pit is one carbon layer deep for most carbide clusters. Carbide clusters aremore » also identifiable by striations on their surfaces. Based on mass balance, and assuming that only the surface layer of carbon is involved in the reaction, the carbide has stoichiometry D y 2 C . This is Dy-rich compared with the most common bulk carbide Dy C 2 , which may reflect limited surface carbon transport to the carbide.« less

The nucleation and growth of uranium on the basal plane of graphite studied by scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Tench, R. J.

1992-11-01

For the first time, nanometer scale uranium clusters were created on the basal plane of highly oriented pyrolytic graphite by laser ablation under ultra-high vacuum conditions. The physical and chemical properties of these clusters were investigated by scanning tunneling microscopy (STM) as well as standard surface science techniques. Auger electron and X-ray photoelectron spectroscopies found the uranium deposit to be free of contamination and showed that no carbide had formed with the underlying graphite. Clusters with sizes ranging from 42 to 630 sq A were observed upon initial room temperature deposition. Surface diffusion of uranium was observed after annealing the substrate above 800 K, as evidenced by the decreased number density and the increased size of the clusters. Preferential depletion of clusters on terraces near step edges as a result of annealing was observed. The activation energy for diffusion deduced from these measurements was found to be 15 Kcal/mole. Novel formation of ordered uranium thin films was observed for coverages greater than two monolayers after annealing above 900 K. These ordered films displayed islands with hexagonally faceted edges rising in uniform step heights characteristic of the unit cell of the P-phase of uranium. In addition, atomic resolution STM images of these ordered films indicated the formation of the (beta)-phase of uranium. The chemical properties of these surfaces were investigated and it was shown that these uranium films had a reduced oxidation rate in air as compared to bulk metal and that STM imaging in air induced a polarity-dependent enhancement of the oxidation rate.

Development of a Scanning Microscale Fast Neutron Irradiation Platform for Examining the Correlation Between Local Neutron Damage and Graphite Microstructure

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

Pinhero, Patrick; Windes, William

2015-03-10

The fast particle radiation damage effect of graphite, a main material in current and future nuclear reactors, has significant influence on the utilization of this material in fission and fusion plants. Atoms on graphite crystals can be easily replaced or dislocated by fast protons and result in interstitials and vacancies. The currently accepted model indicates that after most of the interstitials recombine with vacancies, surviving interstitials form clusters and furthermore gather to create loops with each other between layers. Meanwhile, surviving vacancies and interstitials form dislocation loops on the layers. The growth of these inserted layers cause the dimensional increase,more » i.e. swelling, of graphite. Interstitial and vacancy dislocation loops have been reported and they can easily been observed by electron microscope. However, observation of the intermediate atom clusters becomes is paramount in helping prove this model. We utilize fast protons generated from the University of Missouri Research Reactor (MURR) cyclotron to irradiate highly- oriented pyrolytic graphite (HOPG) as target for this research. Post-irradiation examination (PIE) of dosed targets with high-resolution transmission electron microscopy (HRTEM) has permit observation and analysis of clusters and dislocation loops to support the proposed theory. Another part of the research is to validate M.I. Heggie’s Ruck and Tuck model, which introduced graphite layers may fold under fast particle irradiation. Again, we employed microscopy to image irradiated specimens to determine how the extent of Ruck and Tuck by calculating the number of folds as a function of dose. Our most significant accomplishment is the invention of a novel class of high-intensity pure beta-emitters for long-term lightweight batteries. We have filed four invention disclosure records based on the research conducted in this project. These batteries are lightweight because they consist of carbon and tritium and can be fabricated to conform to many geometric shapes. In addition, we have published eight peer-reviewed American Nuclear Society (ANS) transactions, and presented our findings at ANS National Meetings, and several universities.« less

Surface induced selective deposition of Dysprosium Polyoxometalate on HOPG surface studied by STM and STS

NASA Astrophysics Data System (ADS)

Costa Milan, David; Pinilla Cienfuegos, Elena; Cardona Serra, Salvador; Coronado Miralles, Eugenio; Untiedt Lecuona, Carlos

2013-03-01

Scanning Tunneling Microscope (STM) and scanning Tunnelling spectroscopy (STS) techniques have been used to study the Preyssler type Polyoxometalate K12[DyP5W30O110] molecules deposited on Highly Oriented Pyrolytic Graphite surface (HOPG). Chainlike arrangements of clusters containing two or three molecules, as well as different cluster sizes are observed. As many structural artifacts are present on the graphite surface, like Moiré patterns, that could look like the molecular deposits, we have studied their STS and size to ensure the presence of the POM molecules on the surface. This article shows the possibility of addressing POMs on a flat surface to obtain their electronic properties through STS.

Self-assembly of (perfluoroalkyl)alkanes on a substrate surface from solutions in supercritical carbon dioxide.

PubMed

Gallyamov, Marat O; Mourran, Ahmed; Tartsch, Bernd; Vinokur, Rostislav A; Nikitin, Lev N; Khokhlov, Alexei R; Schaumburg, Kjeld; Möller, Martin

2006-06-14

Toroidal self-assembled structures of perfluorododecylnonadecane and perfluorotetradecyloctadecane have been deposited on mica and highly oriented pyrolytic graphite surfaces by exposure of the substrates to solutions of the (pefluoroalkyl)alkanes in supercritical carbon dioxide. Scanning force microscopy (SFM) images have displayed a high degree of regularity of these self-assembled nanoobjects regarding size, shape, and packing in a monolayer. Analysis of SFM images allowed us to estimate that each toroidal domain has an outer diameter of about 50 nm and consists of several thousands of molecules. We propose a simple model explaining the clustering of the molecules to objects with a finite size. The model based on the close-packing principles predicts formation of toroids, whose size is determined by the molecular geometry. Here, we consider the amphiphilic nature of the (perfluoroalkyl)alkane molecules in combination with incommensurable packing parameters of the alkyl- and the perfluoralkyl-segments to be a key factor for such a self-assembly.

Predictions for partial and monolayer coverages of O2 on graphite

NASA Technical Reports Server (NTRS)

Pan, R. P.; Etters, R. D.; Kobashi, K.; Chandrasekharan, V.

1982-01-01

Monolayer properties of O2 on graphite are calculated using a pattern recognition, optimization scheme. Equilibrium monolayers are predicted at two different densities with properties in agreement with recent X-ray diffraction, specific heat, and neutron scattering data. Properties of the extremely low density regime are calculated using a model based upon a distribution of two-dimensional O2 clusters. The results are consistent with experimental evidence.

Do Ag{sub n} (up to n = 8) clusters retain their identity on graphite? Insights from first-principles calculations including dispersion interactions

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

Singh, Akansha; Sen, Prasenjit, E-mail: prasen@hri.res.in; Majumder, Chiranjib

Adsorption of pre-formed Ag{sub n} clusters for n = 1 − 8 on a graphite substrate is studied within the density functional theory employing the vdW-DF2 functional to treat dispersion interactions. Top sites above surface layer carbon atoms turn out to be most favorable for a Ag adatom, in agreement with experimental observations. The same feature is observed for clusters of almost all sizes which have the lowest energies when the Ag atoms are positioned over top sites. Most gas phase isomers retain their structures over the substrate, though a couple of them undergo significant distortions. Energetics of the adsorptionmore » can be understood in terms of a competition between energy cost of disturbing Ag–Ag bonds in the cluster and energy gain from Ag–C interactions at the surface. Ag{sub 3} turns out to be an exceptional candidate in this regard that undergoes significant structural distortion and has only two of the Ag atoms close to surface C atoms in its lowest energy structure.« less

Structural arrangement trade study. Volume 3: Reusable Hydrogen Composite Tank System (RHCTS) and Graphite Composite Primary Structures (GCPS). Addendum

NASA Astrophysics Data System (ADS)

1995-03-01

This volume is the third of a 3 volume set that addresses the structural trade study plan that will identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 deg inclination. The most suitable Reusable Hydrogen Composite Tank System (RHCTS), and Graphite Composite Tank System (GCPS) composite materials for intertank, wing and thrust structures are identified. Vehicle resizing charts, selection criteria and back-up charts, parametric costing approach and the finite element method analysis are discussed.

Design fabrication and test of graphite/polyimide composite joints and attachments for advanced aerospace vehicles

NASA Technical Reports Server (NTRS)

1979-01-01

Graphite/polyimide (Gr/PI) bolted and bonded joints were investigated. Possible failure modes and the design loads for the four generic joint types are discussed. Preliminary sizing of a type 1 joint, bonded and bolted configuration is described, including assumptions regarding material properties and sizing methodology. A general purpose finite element computer code is described that was formulated to analyze single and double lap joints, with and without tapered adherends, and with user-controlled variable element size arrangements. An initial order of Celion 6000/PMR-15 prepreg was received and characterized.

Structural arrangement trade study. Volume 3: Reusable Hydrogen Composite Tank System (RHCTS) and Graphite Composite Primary Structures (GCPS). Addendum

NASA Technical Reports Server (NTRS)

1995-01-01

This volume is the third of a 3 volume set that addresses the structural trade study plan that will identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 deg inclination. The most suitable Reusable Hydrogen Composite Tank System (RHCTS), and Graphite Composite Tank System (GCPS) composite materials for intertank, wing and thrust structures are identified. Vehicle resizing charts, selection criteria and back-up charts, parametric costing approach and the finite element method analysis are discussed.

Charging and hybridization in the finite cluster model

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.; Bagus, P. S.; Nelin, C. J.

1984-01-01

Cluster wavefunctions which have appropriate hybridization and polarization lead to reasonable properties for the interaction of an adsorbate with a solid surface. However, for Al clusters, it was found that the atomic change distribution is not uniform. The finite cluster size leads to changes not representative for an extended system. This effect appears to be dependent on the particular materials being studied; it does not occur in all cases.

Managing distance and covariate information with point-based clustering.

PubMed

Whigham, Peter A; de Graaf, Brandon; Srivastava, Rashmi; Glue, Paul

2016-09-01

Geographic perspectives of disease and the human condition often involve point-based observations and questions of clustering or dispersion within a spatial context. These problems involve a finite set of point observations and are constrained by a larger, but finite, set of locations where the observations could occur. Developing a rigorous method for pattern analysis in this context requires handling spatial covariates, a method for constrained finite spatial clustering, and addressing bias in geographic distance measures. An approach, based on Ripley's K and applied to the problem of clustering with deliberate self-harm (DSH), is presented. Point-based Monte-Carlo simulation of Ripley's K, accounting for socio-economic deprivation and sources of distance measurement bias, was developed to estimate clustering of DSH at a range of spatial scales. A rotated Minkowski L1 distance metric allowed variation in physical distance and clustering to be assessed. Self-harm data was derived from an audit of 2 years' emergency hospital presentations (n = 136) in a New Zealand town (population ~50,000). Study area was defined by residential (housing) land parcels representing a finite set of possible point addresses. Area-based deprivation was spatially correlated. Accounting for deprivation and distance bias showed evidence for clustering of DSH for spatial scales up to 500 m with a one-sided 95 % CI, suggesting that social contagion may be present for this urban cohort. Many problems involve finite locations in geographic space that require estimates of distance-based clustering at many scales. A Monte-Carlo approach to Ripley's K, incorporating covariates and models for distance bias, are crucial when assessing health-related clustering. The case study showed that social network structure defined at the neighbourhood level may account for aspects of neighbourhood clustering of DSH. Accounting for covariate measures that exhibit spatial clustering, such as deprivation, are crucial when assessing point-based clustering.

Hybrid carbon-glass fiber/toughened epoxy thick composites subject to drop-weight and ballistic impacts

NASA Astrophysics Data System (ADS)

Sevkat, Ercan

The goals of this study are to investigate the low velocity and ballistic impact response of thick-section hybrid fiber composites at room temperature. Plain-woven S2-Glass and IM7 Graphite fabrics are chosen as fiber materials reinforcing the SC-79 epoxy. Four different types of composites consisting of alternating layers of glass and graphite woven fabric sheets are considered. Tensile tests are conducted using 98 KN (22 kip) MTS testing machine equipped with environmental chamber. Low-velocity impact tests are conducted using an Instron-Dynatup 8250 impact test machine equipped with an environmental chamber. Ballistic impact tests are performed using helium pressured high-speed gas-gun. Tensile tests results were used to define the material behavior of the hybrid and non-hybrid composites in Finite Element modeling. The low velocity and ballistic impact tests showed that hybrid composites performance was somewhere between non-hybrid woven composites. Using woven glass fabrics as outer skin improved the impact performance of woven graphite composite. However hybrid composites are prone to delamination especially between dissimilar layers. The ballistic limit velocity V50 hybrid composites were higher that of woven graphite composite and lower than that of woven glass composite. Both destructive cross-sectional micrographs and nondestructive ultrasonic techniques are used to evaluate the damage created by impact. The Finite Element code LS-DYNA is chosen to perform numerical simulations of low velocity and ballistic impact on thick-section hybrid composites. The damage progression in these composites shows anisotropic nonlinearity. The material model to describe this behavior is not available in LS-DYNA material library. Initially, linear orthotropic material with damage (Chan-Chan Model) is employed to simulate some of the experimental results. Then, user-defined material subroutine is incorporated into LS-DYNA to simulate the nonlinear behavior. The experimentally obtained force-time histories, strain-time histories and damage patterns of impacted composites are compared with Finite element results. The results indicate that LS-DYNA could simulate the impact responses with sufficient accuracy once proper material models and boundary conditions are defined.

Composite materials research and education program: The NASA-Virginia Tech composites program

NASA Technical Reports Server (NTRS)

Herakovich, C. T.

1980-01-01

Major areas of study include: (1) edge effects in finite width laminated composites subjected to mechanical, thermal and hygroscopic loading with temperature dependent material properties and the influence of edge effects on the initiation of failure; (2) shear and compression testing of composite materials at room and elevated temperatures; (3) optical techniques for precise measurement of coefficients of thermal expansion of composites; (4) models for the nonlinear behavior of composites including material nonlinearity and damage accumulation and verification of the models under biaxial loading; (5) compressive failure of graphite/epoxy plates with circular holes and the buckling of composite cylinders under combined compression and torsion; (6) nonlinear mechanical properties of borsic/aluminum, graphite/polyimide and boron/aluminum; (7) the strength characteristics of spliced sandwich panels; and (8) curved graphite/epoxy panels subjected to internal pressure.

Microwave limb sounder, graphite epoxy support structure

NASA Technical Reports Server (NTRS)

Pynchon, G.

1980-01-01

The manufacturing and processing procedures which were used to fabricate a precision graphite/epoxy support structure for a spherical microwave reflecting surface are described. The structure was made fromm GY-70/930 ultra high modulus graphite prepreg, laminated to achieve an isotropic in plane thermal expansion of less than + or - 0.1 PPM/F. The structure was hand assembled to match the interface of the reflective surface, which was an array of 18 flexure supported, aluminum, spherically contoured tiles. Structural adhesives were used in the final assembly to bond the elements into their final configuration. A eutectic metal coating was applied to the composite surface to reduce dimensional instabilities arising from changes in the composite epoxy moisture content due to environmental effects. Basic materials properties data are reported and the results of a finite element structural analysis are referenced.

Disentangling giant component and finite cluster contributions in sparse random matrix spectra.

PubMed

Kühn, Reimer

2016-04-01

We describe a method for disentangling giant component and finite cluster contributions to sparse random matrix spectra, using sparse symmetric random matrices defined on Erdős-Rényi graphs as an example and test bed. Our methods apply to sparse matrices defined in terms of arbitrary graphs in the configuration model class, as long as they have finite mean degree.

A New Method to Measure Crack Extension in Nuclear Graphite Based on Digital Image Correlation

DOE PAGES

Lai, Shigang; Shi, Li; Fok, Alex; ...

2017-01-01

Graphite components, used as moderators, reflectors, and core-support structures in a High-Temperature Gas-Cooled Reactor, play an important role in the safety of the reactor. Specifically, they provide channels for the fuel elements, control rods, and coolant flow. Fracture is the main failure mode for graphite, and breaching of the above channels by crack extension will seriously threaten the safety of a reactor. In this paper, a new method based on digital image correlation (DIC) is introduced for measuring crack extension in brittle materials. Cross-correlation of the displacements measured by DIC with a step function was employed to identify the advancingmore » crack tip in a graphite beam specimen under three-point bending. The load-crack extension curve, which is required for analyzing the R-curve and tension softening behaviors, was obtained for this material. Furthermore, a sensitivity analysis of the threshold value employed for the cross-correlation parameter in the crack identification process was conducted. Finally, the results were verified using the finite element method.« less

Three-dimensional local residual stress and orientation gradients near graphite nodules in ductile cast iron [3D local residual stress and orientation gradients near graphite nodules in ductile cast iron

DOE PAGES

Zhang, Y. B.; Andriollo, T.; Faester, S.; ...

2016-09-14

A synchrotron technique, differential aperture X-ray microscopy (DAXM), has been applied to characterize the microstructure and analyze the local mesoscale residual elastic strain fields around graphite nodules embedded in ferrite matrix grains in ductile cast iron. Compressive residual elastic strains are measured with a maximum strain of ~6.5–8 × 10 –4 near the graphite nodules extending into the matrix about 20 μm, where the elastic strain is near zero. The experimental data are compared with a strain gradient calculated by a finite element model, and good accord has been found but with a significant overprediction of the maximum strain. Thismore » is discussed in terms of stress relaxation during cooling or during storage by plastic deformation of the nodule, the matrix or both. Furthermore, relaxation by plastic deformation of the ferrite is demonstrated by the formation of low energy dislocation cell structure also quantified by the DAXM technique.« less

A New Method to Measure Crack Extension in Nuclear Graphite Based on Digital Image Correlation

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

Lai, Shigang; Shi, Li; Fok, Alex

Graphite components, used as moderators, reflectors, and core-support structures in a High-Temperature Gas-Cooled Reactor, play an important role in the safety of the reactor. Specifically, they provide channels for the fuel elements, control rods, and coolant flow. Fracture is the main failure mode for graphite, and breaching of the above channels by crack extension will seriously threaten the safety of a reactor. In this paper, a new method based on digital image correlation (DIC) is introduced for measuring crack extension in brittle materials. Cross-correlation of the displacements measured by DIC with a step function was employed to identify the advancingmore » crack tip in a graphite beam specimen under three-point bending. The load-crack extension curve, which is required for analyzing the R-curve and tension softening behaviors, was obtained for this material. Furthermore, a sensitivity analysis of the threshold value employed for the cross-correlation parameter in the crack identification process was conducted. Finally, the results were verified using the finite element method.« less

Dynamics behavior of lithium in graphite lattice: MD calculation approach

NASA Astrophysics Data System (ADS)

Shimizu, A.; Tachikawa, H.

2000-12-01

In order to investigate the diffusion process of Li atom in graphite, molecular dynamics simulation was achieved on the basis of molecular mechanics 2 (MM2) method using four layers cluster model one of which is composed of C150H30 with terminating hydrogen atoms. According to the simulations at 500 K, Li atom stabilizes initially around the center of mass, gets out of the graphite layers after 3.0 ps through diffusion, which is different from the movement of Li+ ion captured by the dangling bonds of the edge carbon atoms. The diffusion process of Li atom is found to be composed of following four steps in series: (1) vibration around the stabilization point; (2) bulk diffusion; (3) vibration under influence of the dangling bonds of edge carbon atoms; and (4) escape from the graphite layers. The diffusivity for step (3) is smaller than that for step (2).

Irradiation Creep in Graphite

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

Ubic, Rick; Butt, Darryl; Windes, William

2014-03-13

An understanding of the underlying mechanisms of irradiation creep in graphite material is required to correctly interpret experimental data, explain micromechanical modeling results, and predict whole-core behavior. This project will focus on experimental microscopic data to demonstrate the mechanism of irradiation creep. High-resolution transmission electron microscopy should be able to image both the dislocations in graphite and the irradiation-induced interstitial clusters that pin those dislocations. The team will first prepare and characterize nanoscale samples of virgin nuclear graphite in a transmission electron microscope. Additional samples will be irradiated to varying degrees at the Advanced Test Reactor (ATR) facility and similarlymore » characterized. Researchers will record microstructures and crystal defects and suggest a mechanism for irradiation creep based on the results. In addition, the purchase of a tensile holder for a transmission electron microscope will allow, for the first time, in situ observation of creep behavior on the microstructure and crystallographic defects.« less

Graphitic carbon grown on fluorides by molecular beam epitaxy.

PubMed

Jerng, Sahng-Kyoon; Lee, Jae Hong; Kim, Yong Seung; Chun, Seung-Hyun

2013-01-03

We study the growth mechanism of carbon molecules supplied by molecular beam epitaxy on fluoride substrates (MgF2, CaF2, and BaF2). All the carbon layers form graphitic carbon with different crystallinities depending on the cation. Especially, the growth on MgF2 results in the formation of nanocrystalline graphite (NCG). Such dependence on the cation is a new observation and calls for further systematic studies with other series of substrates. At the same growth temperature, the NCG on MgF2 has larger clusters than those on oxides. This is contrary to the general expectation because the bond strength of the carbon-fluorine bond is larger than that of the carbon-oxygen bond. Our results show that the growth of graphitic carbon does not simply depend on the chemical bonding between the carbon and the anion in the substrate.

Graphitic carbon grown on fluorides by molecular beam epitaxy

PubMed Central

2013-01-01

We study the growth mechanism of carbon molecules supplied by molecular beam epitaxy on fluoride substrates (MgF2, CaF2, and BaF2). All the carbon layers form graphitic carbon with different crystallinities depending on the cation. Especially, the growth on MgF2 results in the formation of nanocrystalline graphite (NCG). Such dependence on the cation is a new observation and calls for further systematic studies with other series of substrates. At the same growth temperature, the NCG on MgF2 has larger clusters than those on oxides. This is contrary to the general expectation because the bond strength of the carbon-fluorine bond is larger than that of the carbon-oxygen bond. Our results show that the growth of graphitic carbon does not simply depend on the chemical bonding between the carbon and the anion in the substrate. PMID:23286607

Delamination and debonding of materials

NASA Technical Reports Server (NTRS)

Johnson, W. S. (Editor)

1985-01-01

The general topics consist of stress analysis, mechanical behavior, and fractography/NDI of composite laminates. Papers are presented on a dynamic hybrid finite-element analysis for interfacial cracks in composites, energy release rate during delamination crack growth in composite laminates, matrix deformation and fracture in graphite-reinforced epoxies, and the role of delamination and damage development on the strength of thick notched laminates. In addition, consideration is given to a new ply model for interlaminar stress analysis, a fracture mechanics approach for designing adhesively bonded joints, the analysis of local delaminations and their influence on composite laminate behavior, and moisture and temperature effects on the mixed-mode delamination fracture of unidirectional graphite/epoxy.

Vapor deposition of water on graphitic surfaces: formation of amorphous ice, bilayer ice, ice I, and liquid water.

PubMed

Lupi, Laura; Kastelowitz, Noah; Molinero, Valeria

2014-11-14

Carbonaceous surfaces are a major source of atmospheric particles and could play an important role in the formation of ice. Here we investigate through molecular simulations the stability, metastability, and molecular pathways of deposition of amorphous ice, bilayer ice, and ice I from water vapor on graphitic and atomless Lennard-Jones surfaces as a function of temperature. We find that bilayer ice is the most stable ice polymorph for small cluster sizes, nevertheless it can grow metastable well above its region of thermodynamic stability. In agreement with experiments, the simulations predict that on increasing temperature the outcome of water deposition is amorphous ice, bilayer ice, ice I, and liquid water. The deposition nucleation of bilayer ice and ice I is preceded by the formation of small liquid clusters, which have two wetting states: bilayer pancake-like (wetting) at small cluster size and droplet-like (non-wetting) at larger cluster size. The wetting state of liquid clusters determines which ice polymorph is nucleated: bilayer ice nucleates from wetting bilayer liquid clusters and ice I from non-wetting liquid clusters. The maximum temperature for nucleation of bilayer ice on flat surfaces, T(B)(max) is given by the maximum temperature for which liquid water clusters reach the equilibrium melting line of bilayer ice as wetting bilayer clusters. Increasing water-surface attraction stabilizes the pancake-like wetting state of liquid clusters leading to larger T(B)(max) for the flat non-hydrogen bonding surfaces of this study. The findings of this study should be of relevance for the understanding of ice formation by deposition mode on carbonaceous atmospheric particles, including soot.

An analytical and experimental investigation of edge delamination in laminates subjected to tension, bending, and torsion

NASA Technical Reports Server (NTRS)

Chan, Wen S.

1989-01-01

An integrated two-dimensional finite element was developed to calculate interlaminar stresses and strain energy release rates for the study of delamination in composite laminates subjected to uniaxial tension, bending, and torsion loads. Addressed are the formulation, implementation, and verification of the model. Parametric studies were conducted on the effect of Poisson's ratio mismatch between plies and the stacking sequence on interlaminar stress, and on the effect of delamination opening height and delamination length, due to bending, on strain energy release rate for various laminates. A comparison of strain energy release rates in all-graphite and graphite/glass hybrid laminates is included. The preliminary results of laminates subjected to torsion are also included. Fatigue tension tests were conducted on Mode 1 and mixed mode edge-delamination coupons to establish the relationship between fatigue load vs. onset of delamination cycle. The effect on the fatigue delamination onset of different frequencies (1 and 5 Hz) was investigated for glass, graphite,and their hybrid laminates. Although a 20 percent increase in the static onset-of-delamination strength and a 10 percent increase in ultimate strength resulted from hybridizing the all-graphite laminate with a 90 deg glass ply, the fatigue onset is lower in the hybrid laminate than in the all-graphite laminate.

Communication: Finite size correction in periodic coupled cluster theory calculations of solids.

PubMed

Liao, Ke; Grüneis, Andreas

2016-10-14

We present a method to correct for finite size errors in coupled cluster theory calculations of solids. The outlined technique shares similarities with electronic structure factor interpolation methods used in quantum Monte Carlo calculations. However, our approach does not require the calculation of density matrices. Furthermore we show that the proposed finite size corrections achieve chemical accuracy in the convergence of second-order Møller-Plesset perturbation and coupled cluster singles and doubles correlation energies per atom for insulating solids with two atomic unit cells using 2 × 2 × 2 and 3 × 3 × 3 k-point meshes only.

Nonlinear temperature dependent failure analysis of finite width composite laminates

NASA Technical Reports Server (NTRS)

Nagarkar, A. P.; Herakovich, C. T.

1979-01-01

A quasi-three dimensional, nonlinear elastic finite element stress analysis of finite width composite laminates including curing stresses is presented. Cross-ply, angle-ply, and two quasi-isotropic graphite/epoxy laminates are studied. Curing stresses are calculated using temperature dependent elastic properties that are input as percent retention curves, and stresses due to mechanical loading in the form of an axial strain are calculated using tangent modulii obtained by Ramberg-Osgood parameters. It is shown that curing stresses and stresses due to tensile loading are significant as edge effects in all types of laminate studies. The tensor polynomial failure criterion is used to predict the initiation of failure. The mode of failure is predicted by examining individual stress contributions to the tensor polynomial.

Static and free-vibrational response of semi-circular graphite-epoxy frames with thin-walled open sections

NASA Technical Reports Server (NTRS)

Collins, J. Scott; Johnson, Eric R.

1989-01-01

Experiments were conducted to measure the three-dimensional static and free vibrational response of two graphite-epoxy, thin-walled, open section frames. The frames are semi-circular with a radius of three feet, and one specimen has an I cross section and the other has a channel cross section. The flexibility influence coefficients were measured in static tests for loads applied at midspan with the ends of the specimens clamped. Natural frequencies and modes were determined from vibrational tests for free and clamped end conditions. The experimental data is used to evaluate a new finite element which was developed specifically for the analysis of curved, thin-walled structures. The formulation of the element is based on a Vlasov-type, thin-walled, curved beam theory. The predictions from the finite element program generally correlated well with the experimental data for the symmetric I-specimen. Discrepancies in some of the data were found to be due to flexibility in the clamped end conditions. With respect to the data for the channel specimen, the correlation was less satisfactory. The finite element analysis predicted the out-of-plane response of the channel specimen reasonably well, but large discrepancies occurred between the predicted in-plane response and the experimental data. The analysis predicted a much more compliant in-plane response than was observed in the experiments.

Thermal-mechanical behavior of high precision composite mirrors

NASA Technical Reports Server (NTRS)

Kuo, C. P.; Lou, M. C.; Rapp, D.

1993-01-01

Composite mirror panels were designed, constructed, analyzed, and tested in the framework of a NASA precision segmented reflector task. The deformations of the reflector surface during the exposure to space enviroments were predicted using a finite element model. The composite mirror panels have graphite-epoxy or graphite-cyanate facesheets, separated by an aluminum or a composite honeycomb core. It is pointed out that in order to carry out detailed modeling of composite mirrors with high accuracy, it is necessary to have temperature dependent properties of the materials involved and the type and magnitude of manufacturing errors and material nonuniformities. The structural modeling and analysis efforts addressed the impact of key design and materials parameters on the performance of mirrors.

Microrobot with passive diamagnetic levitation for microparticle manipulations

NASA Astrophysics Data System (ADS)

Feng, Lin; Zhang, Shengyuan; Jiang, Yonggang; Zhang, Deyuan; Arai, Fumihito

2017-12-01

In this paper, an innovative microrobot with passive diamagnetic levitation is presented. Based on theoretical analysis, finite element method simulation, and experiments, the shape of pyrolytic graphite is redesigned, which improves the stability of passive diamagnetic levitation significantly. Therefore, passive diamagnetic levitation is able to be applied for 3-D control of the microrobot. Compared with the traditional microrobots driven by permanent magnets in a microfluidic chip, the microrobot made of pyrolytic graphite and driven by magnetic force has two advantages, no friction and 3-D control, which is able to expand the scope of the microrobot applications. Finally, the microrobot with passive diamagnetic levitation was demonstrated by being encapsulated in a microfluidic chip for microparticle manipulations.

Transformation of graphite by tectonic and hydrothermal processes in an active plate boundary fault zone, Alpine Fault, New Zealand

NASA Astrophysics Data System (ADS)

Kirilova, Matina; Toy, Virginia; Timms, Nicholas; Halfpenny, Angela; Menzies, Catriona; Craw, Dave; Rooney, Jeremy; Giorgetti, Carolina

2017-04-01

Graphite is a material with one of the lowest frictional strengths, with coefficient of friction of 0.1 and thus in natural fault zones it may act as a natural solid lubricant. Graphitization, or the transformation of organic matter (carbonaceous material, or CM) into crystalline graphite, is induced by compositional and structural changes during diagenesis and metamorphism. The supposed irreversible nature of this process has allowed the degree of graphite crystallinity to be calibrated as an indicator of the peak temperatures reached during progressive metamorphism. We examine processes of graphite emplacement and deformation in the Alpine Fault Zone, New Zealand's active continental tectonic plate boundary. Raman spectrometry indicates that graphite in the distal, amphibolite-facies Alpine Schist, which experienced peak metamorphic temperatures up to 640 ◦C, is highly crystalline and occurs mainly along grain boundaries within quartzo-feldspathic domains. The subsequent mylonitisation in the Alpine Fault Zone resulted in progressive reworking of CM under lower temperature conditions (500◦C-600◦C) in a structurally controlled environment, resulting in spatial clustering in lower-strain protomylonites, and further foliation-alignment in higher-strain mylonites. Subsequent brittle deformation of the mylonitised schists resulted in cataclasites that contain over three-fold increase in the abundance of graphite than mylonites. Furthermore, cataclasites contain graphite with two different habits: highly-crystalline, foliated forms that are inherited mylonitic graphite; and lower-crystallinity, less mature patches of finer-grained graphite. The observed graphite enrichment and the occurrence of poorly-organised graphite in the Alpine Fault cataclasites could result from: i) hydrothermal precipitation from carbon-supersaturated fluids; and/or ii) mechanical degradation by structural disordering of mylonitic graphite combined with strain-induced graphite localisation. The lack of published systematic studies of mechanical modification of the structure of graphite inhibits further conclusion to be drawn. Thus, we performed laboratory deformation experiments during which we sheared highly crystalline graphite powder at room temperature, normal stresses of 5 MPa and 25 MPa and sliding velocities of 1 µm/s, 10 µm/s and 100 µm/s. The degree of graphite crystallinity, both in the starting and resulting materials, was analysed by Raman microspectroscopy. Our results demonstrate consistent decrease of graphite crystallinity with increasing shear strain. We conclude that: i) graphite 'thermometers' are unreliable in brittely deformed rocks; ii) a shear strain calibration of graphite 'thermometers' is needed; iii) fault creep is very likely responsible for the observed structural and textural characteristics of graphite in the Alpine Fault cataclasites. Finally, to investigate the possibility of hydrothermal origin for at least some of the graphite in the Alpine Fault cataclasites we will also present synchrotron FTIR and carbon isotope analysis of the Alpine fault rocks.

Activation of electrocatalytic properties of a-C films by doping with MoSe x clusters

NASA Astrophysics Data System (ADS)

Grigoriev, S. N.; Fominski, V. Y.; Romanov, R. I.; Volosova, M. A.; Fominski, D. V.

2017-12-01

Nanocomposite a-C(Mo/MoSe x ) thin films containing amorphous carbon matrix a-C, nano-Mo and MoSe x ≥2 clusters were obtained by pulsed laser co-deposition of carbon and MoSe2. The deposition was carried out at room temperature onto a graphite substrate. Atomic content of the MoSe x≥2 phase did not exceed 25%. The use of a buffer gas at a pressure of 10 Pa allowed to obtain the maximum Se/Mo ratio in the films and to increase the concentration of sp2-hybridized C atoms for high conductivity realization. The formation of MoSe x≥2 cluster inclusions was the essential factor for activation of hydrogen evolution reaction (HER) in 0.5 M H2SO4 aqueous solution. These clusters also promoted cathodic deposition of Pt nanoparticles on the surface of a-C(Mo/MoSe x ) in a H2SO4/KCl solution when a Pt anode was used as a source of Pt. Hybrid Pt/a-C(Mo/MoSe x ) thin-film coatings with a low Pt loading (~6 μg/cm2) exhibit excellent HER property, which noticeably exceeds that of relatively thick Pt coating prepared on a graphite substrate by pulsed laser deposition.

Modelling of pulsed electron beam induced graphite ablation: Sublimation versus melting

NASA Astrophysics Data System (ADS)

Ali, Muddassir; Henda, Redhouane

2017-12-01

Pulsed electron beam ablation (PEBA) has recently emerged as a very promising technique for the deposition of thin films with superior properties. Interaction of the pulsed electron beam with the target material is a complex process, which consists of heating, phase transition, and erosion of a small portion from the target surface. Ablation can be significantly affected by the nature of thermal phenomena taking place at the target surface, with subsequent bearing on the properties, stoichiometry and structure of deposited thin films. A two stage, one-dimensional heat conduction model is presented to describe two different thermal phenomena accounting for interaction of a graphite target with a polyenergetic electron beam. In the first instance, the thermal phenomena are comprised of heating, melting and vaporization of the target surface, while in the second instance the thermal phenomena are described in terms of heating and sublimation of the graphite surface. In this work, the electron beam delivers intense electron pulses of ∼100 ns with energies up to 16 keV and an electric current of ∼400 A to a graphite target. The temperature distribution, surface recession velocity, ablated mass per unit area, and ablation depth for the graphite target are numerically simulated by the finite element method for each case. Based on calculation findings and available experimental data, ablation appears to occur mainly in the regime of melting and vaporization from the surface.

Analysis of Graphite-Reinforced Cementitious Composites

NASA Technical Reports Server (NTRS)

Vaughan, R. E.

2002-01-01

Strategically embedding graphite meshes in a compliant cementitious matrix produces a composite material with relatively high tension and compressive properties as compared to steel-reinforced structures fabricated from a standard concrete mix. Although these composite systems are somewhat similar, the methods used to analyze steel-reinforced composites often fail to characterize the behavior of their more advanced graphite-reinforced counterparts. This Technical Memorandum describes some of the analytical methods being developed to determine the deflections and stresses in graphite-reinforced cementitious composites. It is initially demonstrated that the standard transform section method fails to provide accurate results when the elastic moduli ratio exceeds 20. An alternate approach is formulated by using the rule of mixtures to determine a set of effective material properties for the composite. Tensile tests are conducted on composite samples to verify this approach. When the effective material properties are used to characterize the deflections of composite beams subjected to pure bending, an excellent agreement is obtained. Laminated composite plate theory is investigated as a means for analyzing even more complex composites, consisting of multiple graphite layers oriented in different directions. In this case, composite beams are analyzed using the laminated composite plate theory with material properties established from tensile tests. Then, finite element modeling is used to verify the results. Considering the complexity of the samples, a very good agreement is obtained.

Fault-tolerant measurement-based quantum computing with continuous-variable cluster states.

PubMed

Menicucci, Nicolas C

2014-03-28

A long-standing open question about Gaussian continuous-variable cluster states is whether they enable fault-tolerant measurement-based quantum computation. The answer is yes. Initial squeezing in the cluster above a threshold value of 20.5 dB ensures that errors from finite squeezing acting on encoded qubits are below the fault-tolerance threshold of known qubit-based error-correcting codes. By concatenating with one of these codes and using ancilla-based error correction, fault-tolerant measurement-based quantum computation of theoretically indefinite length is possible with finitely squeezed cluster states.

Electronic and geometric properties of ETS-10: QM/MM studies of cluster models.

PubMed

Zimmerman, Anne Marie; Doren, Douglas J; Lobo, Raul F

2006-05-11

Hybrid DFT/MM methods have been used to investigate the electronic and geometric properties of the microporous titanosilicate ETS-10. A comparison of finite length and periodic models demonstrates that band gap energies for ETS-10 can be well represented with relatively small cluster models. Optimization of finite clusters leads to different local geometries for bulk and end sites, where the local bulk TiO6 geometry is in good agreement with recent experimental results. Geometry optimizations reveal that any asymmetry within the axial O-Ti-O chain is negligible. The band gap in the optimized model corresponds to a O(2p) --> Tibulk(3d) transition. The results suggest that the three Ti atom, single chain, symmetric, finite cluster is an effective model for the geometric and electronic properties of bulk and end TiO6 groups in ETS-10.

Systems integration and demonstration of advanced reusable structure for ALS

NASA Technical Reports Server (NTRS)

Gibbins, Martin N.

1991-01-01

The objective was to investigate the potential of advanced material to achieve life cycle cost (LCC) benefits for reusable structure on the advanced launch system. Three structural elements were investigated - all components of an Advanced Launch System reusable propulsion/avionics module. Leading aeroshell configurations included sandwich structure using titanium, graphite/polyimide (Gr/PI), or high-temperature aluminum (HTA) face sheets. Thrust structure truss concepts used titanium, graphite/epoxy, or silicon carbide/aluminum struts. Leading aft bulkhead concepts employed graphite epoxy and aluminum. The technical effort focused on the aeroshell because the greatest benefits were expected there. Thermal analyses show the structural temperature profiles during operation. Finite element analyses show stresses during splash-down. Weight statements and manufacturing cost estimates were prepared for calculation of LCC for each design. The Gr/PI aeroshell showed the lowest potential LCC, but the HTA aeroshell was judged to be lower risk. A technology development plan was prepared to validate the applicable structural technology.

High thermoelectric performance of graphite nanofibers.

PubMed

Tran, Van-Truong; Saint-Martin, Jérôme; Dollfus, Philippe; Volz, Sebastian

2018-02-22

Graphite nanofibers (GNFs) have been demonstrated to be a promising material for hydrogen storage and heat management in electronic devices. Here, by means of first-principles and transport simulations, we show that GNFs can also be an excellent material for thermoelectric applications thanks to the interlayer weak van der Waals interaction that induces low thermal conductance and a step-like shape in the electronic transmission with mini-gaps, which are necessary ingredients to achieve high thermoelectric performance. This study unveils that the platelet form of GNFs in which graphite layers are perpendicular to the fiber axis can exhibit outstanding thermoelectric properties with a figure of merit ZT reaching 3.55 in a 0.5 nm diameter fiber and 1.1 in a 1.1 nm diameter one. Interestingly, by introducing 14 C isotope doping, ZT can even be enhanced up to more than 5, and more than 8 if we include the effect of finite phonon mean free path, which demonstrates the amazing thermoelectric potential of GNFs.

Analysis of Graphite Reinforced Cementitious Composites

NASA Technical Reports Server (NTRS)

Vaughan, Robert E.; Gilbert, John A.; Spanyer, Karen (Technical Monitor)

2001-01-01

This paper describes analytical methods that can be used to determine the deflections and stresses in highly compliant graphite-reinforced cementitious composites. It is demonstrated that the standard transform section fails to provide accurate results when the elastic modulus ratio exceeds 20. So an alternate approach is formulated by using the rule of mixtures to determine a set of effective material properties for the composite. Tensile tests are conducted on composite samples to verify this approach; and, when the effective material properties are used to characterize the deflections of composite beams subject to pure bending, an excellent agreement is obtained. Laminated composite plate theory is also investigated as a means for analyzing even more complex composites, consisting of multiple graphite layers oriented in different directions. In this case, composite beams are analyzed by incorporating material properties established from tensile tests. Finite element modeling is used to verity the results and, considering the complexity of the samples, a very good agreement is obtained.

Analysis of Ninety Degree Flexure Tests for Characterization of Composite Transverse Tensile Strength

NASA Technical Reports Server (NTRS)

OBrien, T. Kevin; Krueger, Ronald

2001-01-01

Finite element (FE) analysis was performed on 3-point and 4-point bending test configurations of ninety degree oriented glass-epoxy and graphite-epoxy composite beams to identify deviations from beam theory predictions. Both linear and geometric non-linear analyses were performed using the ABAQUS finite element code. The 3-point and 4-point bending specimens were first modeled with two-dimensional elements. Three-dimensional finite element models were then performed for selected 4-point bending configurations to study the stress distribution across the width of the specimens and compare the results to the stresses computed from two-dimensional plane strain and plane stress analyses and the stresses from beam theory. Stresses for all configurations were analyzed at load levels corresponding to the measured transverse tensile strength of the material.

Finite-element simulation of ceramic drying processes

NASA Astrophysics Data System (ADS)

Keum, Y. T.; Jeong, J. H.; Auh, K. H.

2000-07-01

A finite-element simulation for the drying process of ceramics is performed. The heat and moisture movements in green ceramics caused by the temperature gradient, moisture gradient, conduction, convection and evaporation are considered. The finite-element formulation for solving the temperature and moisture distributions, which not only change the volume but also induce the hygro-thermal stress, is carried out. Employing the internally discontinuous interface elements, the numerical divergence problem arising from sudden changes in heat capacity in the phase zone is solved. In order to verify the reliability of the formulation, the drying process of a coal and the wetting process of a graphite epoxy are simulated and the results are compared with the analytical solution and another investigator's result. Finally, the drying process of a ceramic electric insulator is simulated.

Theoretical Study of Diamond-Like Carbons and Nucleation of Diamond

NASA Astrophysics Data System (ADS)

Lee, Choon-Heung

Different forms of amorphous carbon and hydrocarbons with varying elastic and optical properties, hardness, density and hydrogen content exist depending on the preparation technique. The structure can vary from graphitic to diamond -like, i.e., from mainly threefold coordinated to mainly four-fold coordinated. In order to study the properties of such materials, microscopic models must be developed. These studies include the modelling of crosslinked defective graphite, diamond nucleation along the graphite edges, and diamond-like carbons. Tamor's proposed structure for diamondlike carbon consists of crosslinked graphitic regions. We studied a concrete realization of this model in which the cross -links are produced by shortening the interplanar bond lengths. The model study was accomplished with a pure rhombohedral graphite cell. For this study we used a semi-empirical potential based on Tersoff's environment-dependent potential which contains angular terms. It is enhanced by a long-range potential which describes the interplanar interactions. We found a configuration corresponding to a local minimum. More general features such as the randomness of the distribution of cross-links are needed for a realistic model. A model study of diamond/graphite interfaces was motivated by recent observations by Li and Angus. They observed a significant enhancement of diamond nucleation on the graphite edge planes with the preferential orientation relationship: {0001} _{g} | {111 }_{d}, < 1120 >_{g} | < 101>_{d}. Two possible interface structures were studied using the Tersoff potential. We found that the models have comparable low interface energies even if they contain some dangling bonds. Moreover, lower interface energies were found when the dangling bonds of the non-bonded diamond layer were satisfied with hydrogen. We have proposed a growth mechanism based on this study. Finally, we constructed realistic models of dense amorphous carbon. The WWW (introduced earlier for a-Si by Wooten, Winer and Weaire) model was the starting structure. The effects of clustering of the threefold coordinated atoms in pairs, chains, or graphitic (planar hexagonal clusters) were studied. The resulting models were relaxed using the Tersoff potential. Their electronic structures were studied using an empirical tight-binding scheme with parameters adjusted to reproduce the diamond and graphite band-structures. The models were found to have densities of ~ 3 g/cm^3 and bulk moduli of ~3.1 Mbar. Localized dangling bonds and pi - pi^* states were found within the wide gap of the WWW model consistent with optical gaps of the order of 0.5-2 eV. Hydrogen atoms were introduced to remove some of the dangling bonds. The models were found to account for the essential features of ion-beam deposited amorphous carbon and hydrogenated amorphous carbon.

Optical Band Gap Alteration of Graphene Oxide via Ozone Treatment.

PubMed

Hasan, Md Tanvir; Senger, Brian J; Ryan, Conor; Culp, Marais; Gonzalez-Rodriguez, Roberto; Coffer, Jeffery L; Naumov, Anton V

2017-07-25

Graphene oxide (GO) is a graphene derivative that emits fluorescence, which makes GO an attractive material for optoelectronics and biotechnology. In this work, we utilize ozone treatment to controllably tune the band gap of GO, which can significantly enhance its applications. Ozone treatment in aqueous GO suspensions yields the addition/rearrangement of oxygen-containing functional groups suggested by the increase in vibrational transitions of C-O and C=O moieties. Concomitantly it leads to an initial increase in GO fluorescence intensity and significant (100 nm) blue shifts in emission maxima. Based on the model of GO fluorescence originating from sp 2 graphitic islands confined by oxygenated addends, we propose that ozone-induced functionalization decreases the size of graphitic islands affecting the GO band gap and emission energies. TEM analyses of GO flakes confirm the size decrease of ordered sp 2 domains with ozone treatment, whereas semi-empirical PM3 calculations on model addend-confined graphitic clusters predict the inverse dependence of the band gap energies on sp 2 cluster size. This model explains ozone-induced increase in emission energies yielding fluorescence blue shifts and helps develop an understanding of the origins of GO fluorescence emission. Furthermore, ozone treatment provides a versatile approach to controllably alter GO band gap for optoelectronics and bio-sensing applications.

Self-confinement of finite dust clusters in isotropic plasmas.

PubMed

Miloshevsky, G V; Hassanein, A

2012-05-01

Finite two-dimensional dust clusters are systems of a small number of charged grains. The self-confinement of dust clusters in isotropic plasmas is studied using the particle-in-cell method. The energetically favorable configurations of grains in plasma are found that are due to the kinetic effects of plasma ions and electrons. The self-confinement phenomenon is attributed to the change in the plasma composition within a dust cluster resulting in grain attraction mediated by plasma ions. This is a self-consistent state of a dust cluster in which grain's repulsion is compensated by the reduced charge and floating potential on grains, overlapped ion clouds, and depleted electrons within a cluster. The common potential well is formed trapping dust clusters in the confined state. These results provide both valuable insights and a different perspective to the classical view on the formation of boundary-free dust clusters in isotropic plasmas.

Measurement of the spectral signature of small carbon clusters at near and far infrared wavelengths

NASA Technical Reports Server (NTRS)

Tarter, J.; Saykally, R.

1991-01-01

A significant percentage of the carbon inventory of the circumstellar and interstellar media may be in the form of large refractory molecules (or small grains) referred to as carbon clusters. At the small end, uneven numbers of carbon atoms seem to be preferred, whereas above 12 atoms, clusters containing an even number of carbon atoms appear to be preferred in laboratory chemistry. In the lab, the cluster C-60 appears to be a particularly stable form and has been nicknamed Bucky Balls because of its resemblance to a soccer ball and to geodesic domes designed by Buckminster Fuller. In order to investigate the prevalence of these clusters, and their relationship to the polycyclic aromatic hydrocarbons (PAHs) that have become the newest focus of IR astronomy, it is necessary to determine the spectroscopic characteristics of these clusters at near and far infrared wavelengths. Described here is the construction of a near to far IR laser magnetic resonance spectrometer that has been built at the University of California Berkeley in order to detect and characterize these spectra. The equipment produces carbon clusters by laser evaporation of a graphitic target. The clusters are then cooled in a supersonic expansion beam in order to simulate conditions in the interstellar medium (ISM). The expansion beam feeds into the spectrometer chamber and permits concentrations of clusters sufficiently high as to permit ultra-high resolution spectroscopy at near and far IR wavelengths. The first successful demonstration of this apparatus occurred last year when the laboratory studies permitted the observational detection of C-5 in the stellar outflow surrounding IRC+10216 in the near-IR. Current efforts focus on reducing the temperature of the supersonic expansion beam that transport the C clusters evaporated from a graphite target into the spectrometer down to temperatures as low as 1 K.

Evaluating Mixture Modeling for Clustering: Recommendations and Cautions

ERIC Educational Resources Information Center

Steinley, Douglas; Brusco, Michael J.

2011-01-01

This article provides a large-scale investigation into several of the properties of mixture-model clustering techniques (also referred to as latent class cluster analysis, latent profile analysis, model-based clustering, probabilistic clustering, Bayesian classification, unsupervised learning, and finite mixture models; see Vermunt & Magdison,…

A study of damage zones or characteristic lengths as related to the fracture behavior of graphite/epoxy laminates

NASA Technical Reports Server (NTRS)

Yeow, Y. T.; Brinson, H. F.

1977-01-01

Uniaxial tensile tests conducted on a variety of graphite/epoxy laminates, containing narrow rectangular slits, square or circular holes with various aspect ratios are discussed. The techniques used to study stable crack or damage zone growth--namely, birefringence coatings, COD gages, and microscopic observations are discussed. Initial and final fracture modes are discussed as well as the effect of notch size and shape, and laminate type on the fracture process. Characteristic lengths are calculated and compared to each other using the point, average and inherent flaw theories. Fracture toughnesses are calculated by the same theories and compared to a boundary integral equation technique. Finite width K-calibration factors are also discussed.

A unifying picture of gas-phase formation and growth of PAH (Polycyclic Aromatic Hydrocarbons), soot, diamond and graphite

NASA Technical Reports Server (NTRS)

Frenklach, Michael

1990-01-01

A variety of seemingly different carbon formation processes -- polycyclic aromatic hydrocarbons and diamond in the interstellar medium, soot in hydrocarbon flames, graphite and diamond in plasma-assisted-chemical vapor deposition reactors -- may all have closely related underlying chemical reaction mechanisms. Two distinct mechanisms for gas-phase carbon growth are discussed. At high temperatures it proceeds via the formation of carbon clusters. At lower temperatures it follows a polymerization-type kinetic sequence of chemical reactions of acetylene addition to a radical, and reactivation of the resultant species through H-abstraction by a hydrogen atom.

Failure modes for compression loaded angle-ply plates with holes

NASA Technical Reports Server (NTRS)

Burns, S. W.; Herakovich, C. T.; Williams, J. G.

1987-01-01

A combined theoretical-experimental investigation of failure in notched, graphite-epoxy, angle-ply laminates subjected to far-field compression loading indicates that failure generally initiates on the hole boundary and propagates along a line parallel to the fiber orientation of the laminate. The strength of notched laminates with specimen width-to-hole diameter ratios of 5 and 10 are compared to the strength of unnotched laminates. The experimental results are complemented by a three-dimensional finite element stress analysis that includes interlaminar stresses around holes in (+/- theta)s laminates. The finite element predictions indicate that failure is initiated by shear stresses at the hole boundary.

Reliability Assessment of Graphite Specimens under Multiaxial Stresses

NASA Technical Reports Server (NTRS)

Sookdeo, Steven; Nemeth, Noel N.; Bratton, Robert L.

2008-01-01

An investigation was conducted to predict the failure strength response of IG-100 nuclear grade graphite exposed to multiaxial stresses. As part of this effort, a review of failure criteria accounting for the stochastic strength response is provided. The experimental work was performed in the early 1990s at the Oak Ridge National Laboratory (ORNL) on hollow graphite tubes under the action of axial tensile loading and internal pressurization. As part of the investigation, finite-element analysis (FEA) was performed and compared with results of FEA from the original ORNL report. The new analysis generally compared well with the original analysis, although some discrepancies in the location of peak stresses was noted. The Ceramics Analysis and Reliability Evaluation of Structures Life prediction code (CARES/Life) was used with the FEA results to predict the quadrants I (tensile-tensile) and quadrant IV (compression-tension) strength response of the graphite tubes for the principle of independent action (PIA), the Weibull normal stress averaging (NSA), and the Batdorf multiaxial failure theories. The CARES/Life reliability analysis showed that all three failure theories gave similar results in quadrant I but that in quadrant IV, the PIA and Weibull normal stress-averaging theories were not conservative, whereas the Batdorf theory was able to correlate well with experimental results. The conclusion of the study was that the Batdorf theory should generally be used to predict the reliability response of graphite and brittle materials in multiaxial loading situations.

Multilayer adsorption of C2H4 and CF4 on graphite: Grand Canonical Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Abdelatif, H.; Drir, M.

2016-11-01

We study the phase transitions in adsorbed multilayers by Grand Canonical Monte Carlo simulations (GCMC) of the lattice-gas model. The focus will be on ethylene (C2H4) and tetrafluoromethane (CF4) on a homogeneous graphite surface. Earlier simulations of these systems investigated structural properties, dynamical behaviors of adsorbed films and thermodynamic quantities such as isosteric heat. The main purpose of this study is to consider the adsorbed multilayers by the evaluation of the layering behavior, the wetting phenomena and the critical temperatures. The isotherms obtained for temperature from 50 K to 170 K reproduce a number of interesting features observed experimentally: (i) we observe an important number of layers in contrast with previous simulations, (ii) a finite number of layers at saturated pressure for low temperatures are found, (iii) the isotherms present vertical steps typical of layer-by-layer growth, at higher temperatures these distinct layers tend to disappear signifying that the film thickness increases continuously, (iv) a thin film to thick film transition near the triple point temperature is noticed. In addition to this qualitative description, quantitative information are determined including temperatures and relative pressures of layers formation, layer-critical-point temperatures and phase diagrams. Comparing the two systems, ethylene/graphite and tetrafluoromethane/graphite, we observe a qualitatively similar behavior.

Li intercalation in graphite: A van der Waals density-functional study

NASA Astrophysics Data System (ADS)

Hazrati, E.; de Wijs, G. A.; Brocks, G.

2014-10-01

Modeling layered intercalation compounds from first principles poses a problem, as many of their properties are determined by a subtle balance between van der Waals interactions and chemical or Madelung terms, and a good description of van der Waals interactions is often lacking. Using van der Waals density functionals we study the structures, phonons and energetics of the archetype layered intercalation compound Li-graphite. Intercalation of Li in graphite leads to stable systems with calculated intercalation energies of -0.2 to -0.3 eV/Li atom, (referred to bulk graphite and Li metal). The fully loaded stage 1 and stage 2 compounds LiC6 and Li1 /2C6 are stable, corresponding to two-dimensional √{3 }×√{3 } lattices of Li atoms intercalated between two graphene planes. Stage N >2 structures are unstable compared to dilute stage 2 compounds with the same concentration. At elevated temperatures dilute stage 2 compounds easily become disordered, but the structure of Li3 /16C6 is relatively stable, corresponding to a √{7 }×√{7 } in-plane packing of Li atoms. First-principles calculations, along with a Bethe-Peierls model of finite temperature effects, allow for a microscopic description of the observed voltage profiles.

Kinetic Monte Carlo Simulation of the Growth of Various Nanostructures through Atomic and Cluster Deposition: Application to Gold Nanostructure Growth on Graphite

NASA Astrophysics Data System (ADS)

Claassens, C. H.; Hoffman, M. J. H.; Terblans, J. J.; Swart, H. C.

2006-01-01

A Kinetic Monte Carlo (KMC) method is presented to describe the growth of metallic nanostructures through atomic and cluster deposition in the mono -and multilayer regime. The model makes provision for homo- and heteroepitaxial systems with small lattice mismatch. The accuracy of the model is tested with simulations of the growth of gold nanostructures on HOPG and comparisons are made with existing experimental data.

Free vibrations of thin-walled semicircular graphite-epoxy composite frames

NASA Technical Reports Server (NTRS)

Carden, Huey D.; Noor, Ahmed K.; Peters, Jeanne M.

1990-01-01

A detailed study is made of the effects of variations in lamination and material parameters of thin walled composite frames on their vibrational characteristics. The structures considered are semicircular thin walled frames with I and J sections. The flanges and webs of the frames are modeled by using 2-D shell and plate finite elements. A mixed formulation is used with the fundamental unknowns consisting of both the generalized displacements and stress resultants in the frame. The frequencies and modes predicted by the 2-D finite element model are compared with those obtained from experiments, as well as with the predictions of a non-dimensional thin walled beam finite element model. A detailed study is made of the sensitivity of the vibrational response to variations in the fiber orientation, material properties of the individual layers, and boundary conditions.

Free vibrations of thin-walled semicircular graphite-epoxy composite frames

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Carden, Huey D.; Peters, Jeanne M.

1990-01-01

A detailed study is made of the effects of variations in lamination and material parameters of thin walled composite frames on their vibrational characteristics. The structures considered are semicircular thin walled frames with I and J sections. The flanges and webs of the frames are modelled by using 2-D shell and plate finite elements. A mixed formulation is used with the fundamental unknowns consisting of both the generalized displacements and stress resultants in the frames. The frequencies and modes predicted by the 2-D finite element model are compared with those obtained from experiments, as well as with the predictions of a 1-D thin walled beam finite element model. A detailed study is made of the sensitivity of the vibrational response to variations in the fiber orientation, material properties of the individual layers, and boundary conditions.

Igneous petrology of the new ureilites Nova 001 and Nullarbor 010

NASA Technical Reports Server (NTRS)

Triman, Allan H.; Berkley, John L.

1994-01-01

The Nova 001 (= Nuevo Mercurio (b)) and Nullarbor 010 meteorites are ureilites, both of which contain euhedral graphite crystals. The bulk of the meteorites are olivine (Fo79) and pyroxenes (Wo9En73Fs18, Wo3En77Fs20), with a few percent graphite and minor amounts of troilite, Ni-Fe metal, and possibly diamond. The rims of olivine grains are reduced (to Fo91) and contain abundant blebs of Fe metal. Silicate mineral grains are equant, anhedral, up to 2 mm across, and lack obvious preferred orientations. Euhedral graphite crystals (to 1 mm x 0.3 mm) are present at silicate grain boundaries, along boundaries and protruding into the silicates, and entirely within silicate mineral grains. Graphite euhedra are also present as radiating clusters and groups of parallel plates grains embedded in olivine; no other ureilite has comparable graphite textures. Minute lumps within graphite grains are possible diamond, inferred to be a result of shock. Other shock effects are limited to undulatory extinction and fracturing. Both ureilites have been weathered significantly. Considering their similar mineralogies, identical mineral compositions, and identical unusual textures, Nova 001 and Nullarbor 010 are probably paired. Based on olivine compositions, Nova 001 and Nullarbor 010 are in Group 1 (FeO-rich) of Berkley et al. (1980). Silicate mineral compositions are consistent with those of others known ureilites. The presence of euhedral graphite crystals within the silicate minerals is consistent with an igneous origin, and suggests that large proportions of silicate magma were present locally and crystallized in situ.

Automated eddy current analysis of materials

NASA Technical Reports Server (NTRS)

Workman, Gary L.

1991-01-01

The use of eddy current techniques for characterizing flaws in graphite-based filament-wound cylindrical structures is described. A major emphasis was also placed upon incorporating artificial intelligence techniques into the signal analysis portion of the inspection process. Developing an eddy current scanning system using a commercial robot for inspecting graphite structures (and others) was a goal in the overall concept and is essential for the final implementation for the expert systems interpretation. Manual scans, as performed in the preliminary work here, do not provide sufficiently reproducible eddy current signatures to be easily built into a real time expert system. The expert systems approach to eddy current signal analysis requires that a suitable knowledge base exist in which correct decisions as to the nature of a flaw can be performed. A robotic workcell using eddy current transducers for the inspection of carbon filament materials with improved sensitivity was developed. Improved coupling efficiencies achieved with the E-probes and horseshoe probes are exceptional for graphite fibers. The eddy current supervisory system and expert system was partially developed on a MacIvory system. Continued utilization of finite element models for predetermining eddy current signals was shown to be useful in this work, both for understanding how electromagnetic fields interact with graphite fibers, and also for use in determining how to develop the knowledge base. Sufficient data was taken to indicate that the E-probe and the horseshoe probe can be useful eddy current transducers for inspecting graphite fiber components. The lacking component at this time is a large enough probe to have sensitivity in both the far and near field of a thick graphite epoxy component.

Finite element analysis of the end notched flexure specimen for measuring Mode II fracture toughness

NASA Technical Reports Server (NTRS)

Gillespie, J. W., Jr.; Carlsson, L. A.; Pipes, R. B.

1986-01-01

The paper presents a finite element analysis of the end-notched flexure (ENF) test specimen for Mode II interlaminar fracture testing of composite materials. Virtual crack closure and compliance techniques employed to calculate strain energy release rates from linear elastic two-dimensional analysis indicate that the ENF specimen is a pure Mode II fracture test within the constraints of small deflection theory. Furthermore, the ENF fracture specimen is shown to be relatively insensitive to process-induced cracks, offset from the laminate midplane. Frictional effects are investigated by including the contact problem in the finite element model. A parametric study investigating the influence of delamination length, span, thickness, and material properties assessed the accuracy of beam theory expressions for compliance and strain energy release rate, GII. Finite element results indicate that data reduction schemes based upon beam theory underestimate GII by approximately 20-40 percent for typical unidirectional graphite fiber composite test specimen geometries. Consequently, an improved data reduction scheme is proposed.

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys and superlattices

NASA Technical Reports Server (NTRS)

Lambrecht, Walter R. L.

1992-01-01

This proposal was mainly concerned with the theoretical study of semiconductor compounds, alloys, and superlattices of interest for photovoltaic applications. In the last year (1991) a study was devoted to metal/graphite bonding in relation to use of graphite fiber reinforcement of Cu for high thermal conductivity applications. The main research topics addressed during the full period of the grant are briefly described: studies of the In-Ga-As ternary system; band-offsets at common anion and InAs/GaSb/AlSb heterojunctions; alloy theory (cluster variation method); and Cu/graphite bonding. Most of the work was described more extensively in previous yearly reports and renewal applications and in publications. The last topic is described more fully in a separate report attached. A list of publications resulting directly from this grant or from other grants but related to this work and of conference presentations is given at the end.

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys and superlattices

NASA Astrophysics Data System (ADS)

Lambrecht, Walter R. L.

1992-08-01

This proposal was mainly concerned with the theoretical study of semiconductor compounds, alloys, and superlattices of interest for photovoltaic applications. In the last year (1991) a study was devoted to metal/graphite bonding in relation to use of graphite fiber reinforcement of Cu for high thermal conductivity applications. The main research topics addressed during the full period of the grant are briefly described: studies of the In-Ga-As ternary system; band-offsets at common anion and InAs/GaSb/AlSb heterojunctions; alloy theory (cluster variation method); and Cu/graphite bonding. Most of the work was described more extensively in previous yearly reports and renewal applications and in publications. The last topic is described more fully in a separate report attached. A list of publications resulting directly from this grant or from other grants but related to this work and of conference presentations is given at the end.

Interlaminar shear stress effects on the postbuckling response of graphite-epoxy panels

NASA Technical Reports Server (NTRS)

Engelstad, S. P.; Knight, N. F., Jr.; Reddy, J. N.

1990-01-01

The influence of shear flexibility on overall postbuckling response was assessed, and transverse shear stress distributions in relation to panel failure were examined. Nonlinear postbuckling results are obtained for finite element models based on classical laminated plate theory and first-order shear deformation theory. Good correlation between test and analysis is obtained. The results presented analytically substantiate the experimentally observed failure mode.

Direct observation of small cluster mobility and ripening

NASA Technical Reports Server (NTRS)

Heinemann, K.; Poppa, H.

1976-01-01

Direct evidence is reported for the simultaneous occurrence of Ostwald ripening and short-distance cluster mobility during annealing of discontinuous metal films on clean amorphous substrates. The annealing characteristics of very thin particulate deposits of silver on amorphized clean surfaces of single-crystalline thin graphite substrates have been studied by in situ transmission electron microscopy (TEM) under controlled environmental conditions in the temperature range from 25 to 450 C. It was possible to monitor all stages of the experiments by TEM observation of the same specimen area. Slow Ostwald ripening was found to occur over the entire temperature range, but the overriding surface transport mechanism was short-distance cluster mobility. This was concluded from in situ observations of individual particles during annealing and from measurements of cluster size distributions, cluster number densities, area coverages, and mean cluster diameters.

Nanospectroscopy of thiacyanine dye molecules adsorbed on silver nanoparticle clusters

NASA Astrophysics Data System (ADS)

Ralević, Uroš; Isić, Goran; Anicijević, Dragana Vasić; Laban, Bojana; Bogdanović, Una; Lazović, Vladimir M.; Vodnik, Vesna; Gajić, Radoš

2018-03-01

The adsorption of thiacyanine dye molecules on citrate-stabilized silver nanoparticle clusters drop-cast onto freshly cleaved mica or highly oriented pyrolytic graphite surfaces is examined using colocalized surface-enhanced Raman spectroscopy and atomic force microscopy. The incidence of dye Raman signatures in photoluminescence hotspots identified around nanoparticle clusters is considered for both citrate- and borate-capped silver nanoparticles and found to be substantially lower in the former case, suggesting that the citrate anions impede the efficient dye adsorption. Rigorous numerical simulations of light scattering on random nanoparticle clusters are used for estimating the electromagnetic enhancement and elucidating the hotspot formation mechanism. The majority of the enhanced Raman signal, estimated to be more than 90%, is found to originate from the nanogaps between adjacent nanoparticles in the cluster, regardless of the cluster size and geometry.

Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters

NASA Astrophysics Data System (ADS)

Susan, Anju; Joshi, Kavita

2014-04-01

Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this work, we demonstrate how structural motif of the ground state influences melting transition in small clusters. Here, we report a case with clusters of aluminum and gallium having same number of atoms, valence electrons, and similar structural motif of the ground state but drastically different melting temperatures. We have employed Born-Oppenheimer molecular dynamics to simulate the solid-like to liquid-like transition in these clusters. Our simulations have reproduced the experimental trends fairly well. Further, the detailed analysis of isomers has brought out the role of the ground state structure and underlying electronic structure in the finite temperature behavior of these clusters. For both clusters, isomers accessible before cluster melts have striking similarities and does have strong influence of the structural motif of the ground state. Further, the shape of the heat capacity curve is similar in both the cases but the transition is more spread over for Al36 which is consistent with the observed isomerization pattern. Our simulations also suggest a way to characterize transition region on the basis of accessibility of the ground state at a specific temperature.

A study of graphite-epoxy laminate failures due to high transverse shear strains using the multi-span-beam shear test procedure

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.

1989-01-01

The multi-span-beam shear test procedure is used to study failure mechanisms in graphite-epoxy laminates due to high transverse shear strains induced by severe local bending deformations in test specimens. Results of a series of tests on specimens with a variety of stacking sequences, including some with adhesive interleaving, are presented. These results indicate that laminates with stacking sequences with several + or - 45 and 90 deg plies next to each other are more susceptible to failures due to high transverse shear strains than laminates with + or - 45 and 0 deg plies next to each other or with + or - 45 deg plies next to layers of adhesive interleaving. Results of these tests are compared with analytical results based on finite elements.

Emergence of jams in the generalized totally asymmetric simple exclusion process

NASA Astrophysics Data System (ADS)

Derbyshev, A. E.; Povolotsky, A. M.; Priezzhev, V. B.

2015-02-01

The generalized totally asymmetric exclusion process (TASEP) [J. Stat. Mech. (2012) P05014, 10.1088/1742-5468/2012/05/P05014] is an integrable generalization of the TASEP equipped with an interaction, which enhances the clustering of particles. The process interpolates between two extremal cases: the TASEP with parallel update and the process with all particles irreversibly merging into a single cluster moving as an isolated particle. We are interested in the large time behavior of this process on a ring in the whole range of the parameter λ controlling the interaction. We study the stationary state correlations, the cluster size distribution, and the large-time fluctuations of integrated particle current. When λ is finite, we find the usual TASEP-like behavior: The correlation length is finite; there are only clusters of finite size in the stationary state and current fluctuations belong to the Kardar-Parisi-Zhang universality class. When λ grows with the system size, so does the correlation length. We find a nontrivial transition regime with clusters of all sizes on the lattice. We identify a crossover parameter and derive the large deviation function for particle current, which interpolates between the case considered by Derrida-Lebowitz and a single-particle diffusion.

Predictive Rate-Distortion for Infinite-Order Markov Processes

NASA Astrophysics Data System (ADS)

Marzen, Sarah E.; Crutchfield, James P.

2016-06-01

Predictive rate-distortion analysis suffers from the curse of dimensionality: clustering arbitrarily long pasts to retain information about arbitrarily long futures requires resources that typically grow exponentially with length. The challenge is compounded for infinite-order Markov processes, since conditioning on finite sequences cannot capture all of their past dependencies. Spectral arguments confirm a popular intuition: algorithms that cluster finite-length sequences fail dramatically when the underlying process has long-range temporal correlations and can fail even for processes generated by finite-memory hidden Markov models. We circumvent the curse of dimensionality in rate-distortion analysis of finite- and infinite-order processes by casting predictive rate-distortion objective functions in terms of the forward- and reverse-time causal states of computational mechanics. Examples demonstrate that the resulting algorithms yield substantial improvements.

Cross-ply laminates with holes in compression - Straight free-edge stresses determined by two- to three-dimensional global/local finite element analysis

NASA Technical Reports Server (NTRS)

Thompson, Danniella Muheim; Griffin, O. Hayden, Jr.; Vidussoni, Marco A.

1990-01-01

A practical example of applying two- to three-dimensional (2- to 3-D) global/local finite element analysis to laminated composites is presented. Cross-ply graphite/epoxy laminates of 0.1-in. (0.254-cm) thickness with central circular holes ranging from 1 to 6 in. (2.54 to 15.2 cm) in diameter, subjected to in-plane compression were analyzed. Guidelines for full three-dimensional finite element analysis and two- to three-dimensional global/local analysis of interlaminar stresses at straight free edges of laminated composites are included. The larger holes were found to reduce substantially the interlaminar stresses at the straight free-edge in proximity to the hole. Three-dimensional stress results were obtained for thin laminates which require prohibitive computer resources for full three-dimensional analyses of comparative accuracy.

Mitigate the impact of transmitter finite extinction ratio using K-means clustering algorithm for 16QAM signal

NASA Astrophysics Data System (ADS)

Yu, Miao; Li, Yan; Shu, Tong; Zhang, Yifan; Hong, Xiaobin; Qiu, Jifang; Zuo, Yong; Guo, Hongxiang; Li, Wei; Wu, Jian

2018-02-01

A method of recognizing 16QAM signal based on k-means clustering algorithm is proposed to mitigate the impact of transmitter finite extinction ratio. There are pilot symbols with 0.39% overhead assigned to be regarded as initial centroids of k-means clustering algorithm. Simulation result in 10 GBaud 16QAM system shows that the proposed method obtains higher precision of identification compared with traditional decision method for finite ER and IQ mismatch. Specially, the proposed method improves the required OSNR by 5.5 dB, 4.5 dB, 4 dB and 3 dB at FEC limit with ER= 12 dB, 16 dB, 20 dB and 24 dB, respectively, and the acceptable bias error and IQ mismatch range is widened by 767% and 360% with ER =16 dB, respectively.

Electron paramagnetic resonance field-modulation eddy-current analysis of silver-plated graphite resonators

NASA Astrophysics Data System (ADS)

Mett, Richard R.; Anderson, James R.; Sidabras, Jason W.; Hyde, James S.

2005-09-01

Magnetic field modulation is often introduced into a cylindrical TE011 electron paramagnetic resonance (EPR) cavity through silver plating over a nonconductive substrate. The plating thickness must be many times the skin depth of the rf and smaller than the skin depth of the modulation. We derive a parameter that quantifies the modulation field penetration and find that it also depends on resonator dimensions. Design criteria based on this parameter are presented graphically. This parameter is then used to predict the behavior of eddy currents in substrates of moderate conductivity, such as graphite. The conductivity of the graphite permits improved plating uniformity and permits use of electric discharge machining (EDM) techniques to make the resonator. EDM offers precision tolerances of 0.005 mm and is suitable for small, complicated shapes that are difficult to machine by other methods. Analytic predictions of the modulation penetration are compared with the results of finite-element simulations. Simulated magnetic field modulation uniformity and penetration are shown for several elemental coils and structures including the plated graphite TE011 cavity. Fabrication and experimental testing of the structure are discussed. Spatial inhomogeneity of the modulation phase is also investigated by computer simulation. We find that the modulation phase is uniform to within 1% over the TE011 cavity. Structures of lower symmetry have increased phase nonuniformity.

Ab initio study of friction of graphene flake on graphene/graphite or SiC surface

NASA Astrophysics Data System (ADS)

Gulseren, Oguz; Tayran, Ceren; Sayin, Ceren Sibel

Recently, the rich dynamics of graphene flake on graphite or SiC surfaces are revealed from atomic force microcopy experiments. The studies toward to the understanding of microscopic origin of friction are getting a lot of attention. Despite the several studies of these systems using molecular dynamics methods, density functional theory based investigations are limited because of the huge system sizes. In this study, we investigated the frictional force on graphene flake on graphite or SiC surfaces from pseudopotential planewave calculations based on density functional theory. In both cases, graphene flake (24 C) on graphite or SiC surface, bilayer flake is introduced by freezing the top layer as well as the bottom layer of the surface slab. After fixing the load with these frozen layers, we checked the relative motion of the flake over the surface. A minimum energy is reached when the flake is moved on graphene to attain AB stacking. We also conclude that edge reconstruction because of the finite size of the flake is very critical for frictional properties of the flake; therefore the saturation of dangling bonds with hydrogen is also addressed. Not only the symmetric configurations remaining parameter space is extensively studied. Supported by TUBITAK Project No: 114F162. This work is supported by TUBITAK Project No: 114F162.

Graphite Ablation and Thermal Response Simulation Under Arc-Jet Flow Conditions

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Milos, F. S.; Reda, D. C.; Stewart, D. A.; Venkatapathy, Ethiraj (Technical Monitor)

2002-01-01

The Two-dimensional Implicit Thermal Response and Ablation program, TITAN, was developed and integrated with a Navier-Stokes solver, GIANTS, for multidimensional ablation and shape change simulation of thermal protection systems in hypersonic flow environments. The governing equations in both codes are demoralized using the same finite-volume approximation with a general body-fitted coordinate system. Time-dependent solutions are achieved by an implicit time marching technique using Gauess-Siedel line relaxation with alternating sweeps. As the first part of a code validation study, this paper compares TITAN-GIANTS predictions with thermal response and recession data obtained from arc-jet tests recently conducted in the Interaction Heating Facility (IHF) at NASA Ames Research Center. The test models are graphite sphere-cones. Graphite was selected as a test material to minimize the uncertainties from material properties. Recession and thermal response data were obtained from two separate arc-jet test series. The first series was at a heat flux where graphite ablation is mainly due to sublimation, and the second series was at a relatively low heat flux where recession is the result of diffusion-controlled oxidation. Ablation and thermal response solutions for both sets of conditions, as calculated by TITAN-GIANTS, are presented and discussed in detail. Predicted shape change and temperature histories generally agree well with the data obtained from the arc-jet tests.

A Hierarchical Bayesian Procedure for Two-Mode Cluster Analysis

ERIC Educational Resources Information Center

DeSarbo, Wayne S.; Fong, Duncan K. H.; Liechty, John; Saxton, M. Kim

2004-01-01

This manuscript introduces a new Bayesian finite mixture methodology for the joint clustering of row and column stimuli/objects associated with two-mode asymmetric proximity, dominance, or profile data. That is, common clusters are derived which partition both the row and column stimuli/objects simultaneously into the same derived set of clusters.…

Thermodynamic approach to the paradox of diamond formation with simultaneous graphite etching in the low pressure synthesis of diamond

NASA Astrophysics Data System (ADS)

Hwang, Nong M.; Yoon, Duk Y.

1996-03-01

In spite of the critical handicap from the thermodynamic point of view, the atomic hydrogen hypothesis is strongly supported by experimental observations of diamond deposition with simultaneous graphite etching. Thermodynamic analysis of the CH system showed that at ˜ 1500 K, carbon solubility in the gas phase is minimal and thus, the equilibrium fraction of solid carbon is maximal. Depending on whether gas phase nucleation takes place or not, the driving force is for deposition or for etching of solid carbon below ˜ 1500 K for the input gas of the typical mixture of 1% CH 499% H 2. The previous observation of etching of the graphite substrate is not expected unless solid carbon precipitated in the gas phase. By rigorous thermodynamic analysis of the previous experimental observations of diamond deposition with simultaneous graphite etching, we suggested that the previous implicit assumption that diamond deposits by an atomic unit should be the weakest point leading to the thermodynamic paradox. The experimental observations could be successfully explained without violating thermodynamics by assuming that the diamond phase had nucleated in the gas phase as fine clusters.

Electronic and spectroscopic properties of early 3d metal atoms on a graphite surface

NASA Astrophysics Data System (ADS)

Rakotomahevitra, A.; Garreau, G.; Demangeat, C.; Parlebas, J. C.

1995-07-01

High-sensitivity magneto-optic Kerr effect experiments failed to detect manifestations of magnetism in epitaxial films of V on Ag(100) substrates. More recently V 3s XPS of freshly evaporated V clusters on graphite exhibited the appearance of a satellite structure which has then been interpreted by the effect of surface magnetic moments on V. It is the absence of unambiguous results on the electronic properties of early 3d supported metals that prompts us to examine the problem. Our purpose is twofold. In a first part, after a total energy calculation within a tight-binding method which yields the equilibrium position of a given adatom, we use the Hartree-Fock approximation to find out a possible magnetic solution of V (or Cr) upon graphite for a reasonable value of the exchange integral Jdd. In a second part the informations given by the density of states of the graphite surface as well as the additional states of the adsorbed atom are taken into account through a generalised impurity Anderson Hamiltonian which incorporates the various Coulomb and exchange interactions necessary to analyse the 3s XPS results.

Tension fatigue of glass/epoxy and graphite/epoxy tapered laminates

NASA Technical Reports Server (NTRS)

Murri, Gretchen B.; Obrien, T. Kevin; Salpekar, Satish A.

1990-01-01

Symmetric tapered laminates with internally dropped plies were tested with two different layups and two materials, S2/SP250 glass/epoxy and IM6/1827I graphite/epoxy. The specimens were loaded in cyclic tension until they delaminated unstably. Each combination of material and layup had a unique failure mode. Calculated values of strain energy release rate, G, from a finite element analysis model of delamination along the taper, and for delamination from a matrix ply crack, were used with mode I fatigue characterization data from tests of the tested materials to calculate expected delamination onset loads. Calculated values were compared to the experimental results. The comparison showed that when the calculated G was chosen according to the observed delamination failures, the agreement between the calculated and measured delamination onset loads was reasonable for each combination of layup and material.

Kinetic Modeling of Slow Energy Release in Non-Ideal Carbon Rich Explosives

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

Vitello, P; Fried, L; Glaesemann, K

2006-06-20

We present here the first self-consistent kinetic based model for long time-scale energy release in detonation waves in the non-ideal explosive LX-17. Non-ideal, insensitive carbon rich explosives, such as those based on TATB, are believed to have significant late-time slow release in energy. One proposed source of this energy is diffusion-limited growth of carbon clusters. In this paper we consider the late-time energy release problem in detonation waves using the thermochemical code CHEETAH linked to a multidimensional ALE hydrodynamics model. The linked CHEETAH-ALE model dimensional treats slowly reacting chemical species using kinetic rate laws, with chemical equilibrium assumed for speciesmore » coupled via fast time-scale reactions. In the model presented here we include separate rate equations for the transformation of the un-reacted explosive to product gases and for the growth of a small particulate form of condensed graphite to a large particulate form. The small particulate graphite is assumed to be in chemical equilibrium with the gaseous species allowing for coupling between the instantaneous thermodynamic state and the production of graphite clusters. For the explosive burn rate a pressure dependent rate law was used. Low pressure freezing of the gas species mass fractions was also included to account for regions where the kinetic coupling rates become longer than the hydrodynamic time-scales. The model rate parameters were calibrated using cylinder and rate-stick experimental data. Excellent long time agreement and size effect results were achieved.« less

Electrical and galvanomagnetic properties of nanoporous carbon samples impregnated with bromine

NASA Astrophysics Data System (ADS)

Danishevskii, A. M.; Popov, V. V.; Kyutt, R. N.; Gordeev, S. K.

2013-07-01

Nanoporous carbon samples with a large specific surface area can be filled with heavier elements or their compounds, which makes it possible to investigate the interaction of their electronic subsystems with carbon. One of the elements convenient for filling pores of carbon materials is bromine. Impregnation of nanoporous carbon samples with bromine causes the occurrence of the processes of micropore filling, monolayer adsorption, and intercalation. It has been found that samples impregnated with bromine substantially change their electrical and galvanomagnetic properties, and these changes depend on the structure of the samples. It has been shown that, if in the skeleton of a porous carbon sample there is a fraction of graphite clusters, the impregnation of the sample with bromine increases the concentration of charged carriers (holes). But when the sample has a quasi-amorphous structure, the injection of bromine into the sample leads to the appearance of a certain concentration of electrons in addition to charged mobile holes of the initial sample; i.e., the electrical conductivity becomes bipolar. In the former case, bromine molecules intercalate graphite clusters and, since bromine is an acceptor during intercalation of graphite, the hole concentration in the carbon skeleton network increases. In the latter case, bromine molecules can only be adsorbed on pore walls. As a result, the adsorption interaction between the electron shells of bromine molecules and the carbon surface leads to the formation of a donor layer near the surface and to the generation of electrons in the carbon skeleton network.

Manual hierarchical clustering of regional geochemical data using a Bayesian finite mixture model

USGS Publications Warehouse

Ellefsen, Karl J.; Smith, David

2016-01-01

Interpretation of regional scale, multivariate geochemical data is aided by a statistical technique called “clustering.” We investigate a particular clustering procedure by applying it to geochemical data collected in the State of Colorado, United States of America. The clustering procedure partitions the field samples for the entire survey area into two clusters. The field samples in each cluster are partitioned again to create two subclusters, and so on. This manual procedure generates a hierarchy of clusters, and the different levels of the hierarchy show geochemical and geological processes occurring at different spatial scales. Although there are many different clustering methods, we use Bayesian finite mixture modeling with two probability distributions, which yields two clusters. The model parameters are estimated with Hamiltonian Monte Carlo sampling of the posterior probability density function, which usually has multiple modes. Each mode has its own set of model parameters; each set is checked to ensure that it is consistent both with the data and with independent geologic knowledge. The set of model parameters that is most consistent with the independent geologic knowledge is selected for detailed interpretation and partitioning of the field samples.

Mechanical behavior and fracture characteristics of off-axis fiber composites. 2: Theory and comparisons

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Sinclair, J. H.

1978-01-01

The mechanical behavior and stresses inducing fracture modes of unidirectional high-modulus graphite-fiber/epoxy composites subjected to off-axis tensile loads were investigated theoretically. The investigation included the use of composite mechanics, combined-stress failure criteria, and finite-element stress analysis. The results are compared with experimental data and led to the formulation of criteria and convenient plotting procedures for identifying, characterizing, and quantifying these fracture modes.

Delamination Fracture in Graphite/Epoxy Materials.

DTIC Science & Technology

1986-06-01

stress fields for the two loading conditions. Figures 7-10 indicate the results of a finite element analysis % for the test coupons loaded in mode I and...results somewhat approximate, the difference in the shape of the Srespective stress fields and the different rates of decay of the _ stress fields...Shear deformation is dominant feature .: observed. 1000x (all). 7. ay stress contour plot of split laminate beam tested under . mode I conditions. 8

Finite Element and Molecular Dynamics Modeling and Simulation of Thermal Properties

DTIC Science & Technology

2007-06-01

dots represent the experimental results of the normalized conductivity data ke/kf (ke is κ of the composite, kf is κ of the fluid) CNT in oil ...individual Single Walled Nanotube to four centimeters in length. [4] 6 Carbon based materials, in-plane pyrolytic graphite and diamonds, have the...conductivity of nanocomposites has not yet been achieved. A 2001 experiment studied the thermal conductivity of oil with CNT in suspension. The results

Interlaminar shear stress effects on the postbuckling response of graphite-epoxy panels

NASA Technical Reports Server (NTRS)

Engelstad, S. P.; Reddy, J. N.; Knight, N. F., Jr.

1990-01-01

The objectives of the study are to assess the influence of shear flexibility on overall postbuckling response, and to examine transverse shear stress distributions in relation to panel failure. Nonlinear postbuckling results are obtained for finite element models based on classical laminated plate theory and first-order shear deformation theory. Good correlation between test and analysis is obtained. The results presented in this paper analytically substantiate the experimentally observed failure mode.

Molecular Dynamics Studies of Thermal Induced Chemistry in Tatb

NASA Astrophysics Data System (ADS)

Quenneville, J.; Germann, T. C.; Thompson, A. P.; Kober, E. M.

2007-12-01

A reactive force field (ReaxFF) is used with molecular dynamics to probe the chemistry induced by intense heating (`accelerated cook-off') of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Large-system simulations are desired for TATB because of the high degree of carbon clustering expected in this material. Using small, 32-molecule simulations, we calculate the reaction rate as a function of temperature and compare the Arrhenius-predicted activation energy with experiment. Decomposition product evolution (mainly N2, H2O, CO2 and graphitic carbon clusters) is followed using a 576-molecule larger simulation, which also illustrates the effect of system size on both carbon clustering and reaction rate.

Simulation studies for surfaces and materials strength

NASA Technical Reports Server (NTRS)

Halicioglu, T.

1986-01-01

During this reporting period three investigations were carried out. The first area of research concerned the analysis of the structure-energy relationship in small clusters. This study is very closely related to the improvement of the potential energy functions which are suitable and simple enough to be used in atomistic simulation studies. Parameters obtained from ab initio calculations for dimers and trimers of Al were used to estimate energetics and global minimum energy structures of clusters continuing up to 15 Al atoms. The second research topic addressed modeling of the collision process for atoms impinging on surfaces. In this simulation study qualitative aspects of the O atom collision with a graphite surface were analyzed. Four different O/graphite systems were considered and the aftermath of the impact was analyzed. The final area of investigation was related to the simulation of thin amorphous Si films on crystalline Si substrates. Parameters obtained in an earlier study were used to model an exposed amorphous Si surface and an a-Si/c-Si interface. Structural details for various film thicknesses were investigated at an atomistic level.

Enhancement of gaps in thin graphitic films for heterostructure formation

NASA Astrophysics Data System (ADS)

Hague, J. P.

2014-04-01

There are a large number of atomically thin graphitic films with a structure similar to that of graphene. These films have a spread of band gaps relating to their ionicity and, also, to the substrate on which they are grown. Such films could have a range of applications in digital electronics, where graphene is difficult to use. I use the dynamical cluster approximation to show how electron-phonon coupling between film and substrate can enhance these gaps in a way that depends on the range and strength of the coupling. It is found that one of the driving factors in this effect is a charge density wave instability for electrons on a honeycomb lattice that can open a gap in monolayer graphene. The enhancement at intermediate coupling is sufficiently large that spatially varying substrates and superstrates could be used to create heterostructures in thin graphitic films with position-dependent electron-phonon coupling and gaps, leading to advanced electronic components.

Brazed graphite/refractory metal composites for first-wall protection elements

NASA Astrophysics Data System (ADS)

Šmid, I.; Croessmann, C. D.; Salmonson, J. C.; Whitley, J. B.; Kny, E.; Reheis, N.; Kneringer, G.; Nickel, H.

1991-03-01

The peak surface heat flux deposition on divertor elements of near term fusion devices is expected to exceed 10 MW/m 2. The needed reliability of brazed plasma interactive components, particularly under abnormal operating conditions with peak surface temperatures well beyond 1000°C, makes refractory metallic substrates and brazes with a high melting point very attractive. TZM, a high temperature alloy of molybdenum, and isotropic graphite, materials very closely matched in their thermal expansion, were brazed with four high-temperature brazes. The brazes used were Zr, 90Ni/10Ti, 90Cu/10Ti and 70Ag/27Cu/3Ti (nominal composition prior to brazing, wt%). The resulting composite tiles of 50 × 50 mm2 with a TZM thickness of 5 mm and a graphite thickness of 10 mm have been tested in high heat flux simulation for their thermal fatigue properties. Up to 600 loading cycles were carried out with an average heat flux of 10 MW/m 2 for 0.5 s pulses. The maximum surface temperature was 1100°C. In support of the experiment, the thermal response and temperature gradients of the samples were investigated using a finite element model.

Influence of cluster-assembly parameters on the field emission properties of nanostructured carbon films

NASA Astrophysics Data System (ADS)

Ducati, C.; Barborini, E.; Piseri, P.; Milani, P.; Robertson, J.

2002-11-01

Supersonic cluster beam deposition has been used to produce films with different nanostructures by controlling the deposition parameters such as the film thickness, substrate temperature and cluster mass distribution. The field emission properties of cluster-assembled carbon films have been characterized and correlated to the evolution of the film nanostructure. Threshold fields ranging between 4 and 10 V/mum and saturation current densities as high as 0.7 mA have been measured for samples heated during deposition. A series of voltage ramps, i.e., a conditioning process, was found to initiate more stable and reproducible emission. It was found that the presence of graphitic particles (onions, nanotube embryos) in the films substantially enhances the field emission performance. Films patterned on a micrometer scale have been conditioned spot by spot by a ball-tip anode, showing that a relatively high emission site density can be achieved from the cluster-assembled material.

Thermal stability of Pt nanoclusters interacting to carbon sublattice

NASA Astrophysics Data System (ADS)

Baidyshev, V. S.; Gafner, Yu. Ya.; Gafner, S. L.; Redel, L. V.

2017-12-01

The catalytic activity of Pt clusters is dependent not only on the nanoparticle size and its composition, but also on its internal structure. To determine the real structure of the nanoparticles used in catalysis, the boundaries of the thermal structure stability of Pt clusters to 8.0 nm in diameter interacting with carbon substrates of two types: a fixed α-graphite plane and a mobile substrate with the diamond structure. The effect of a substrate on the processes melting of Pt nanoclusters is estimated. The role of the cooling rate in the formation of the internal structure of Pt clusters during crystallization is studied. The regularities obtained in the case of "free" Pt clusters and Pt clusters on a substrate are compared. It is concluded that platinum nanoparticles with diameter D ≤ 4.0 nm disposed on a carbon substrate conserve the initial fcc structure during cooling.

Joint model-based clustering of nonlinear longitudinal trajectories and associated time-to-event data analysis, linked by latent class membership: with application to AIDS clinical studies.

PubMed

Huang, Yangxin; Lu, Xiaosun; Chen, Jiaqing; Liang, Juan; Zangmeister, Miriam

2017-10-27

Longitudinal and time-to-event data are often observed together. Finite mixture models are currently used to analyze nonlinear heterogeneous longitudinal data, which, by releasing the homogeneity restriction of nonlinear mixed-effects (NLME) models, can cluster individuals into one of the pre-specified classes with class membership probabilities. This clustering may have clinical significance, and be associated with clinically important time-to-event data. This article develops a joint modeling approach to a finite mixture of NLME models for longitudinal data and proportional hazard Cox model for time-to-event data, linked by individual latent class indicators, under a Bayesian framework. The proposed joint models and method are applied to a real AIDS clinical trial data set, followed by simulation studies to assess the performance of the proposed joint model and a naive two-step model, in which finite mixture model and Cox model are fitted separately.

Polymer matrix and graphite fiber interface study

NASA Technical Reports Server (NTRS)

Adams, D. F.; Zimmerman, R. S.; Odom, E. M.

1985-01-01

Hercules AS4 graphite fiber, unsized, or with EPON 828, PVA, or polysulfone sizing, was combined with three different polymer matrices. These included Hercules 3501-6 epoxy, Hercules 4001 bismaleimide, and Hexcel F155 rubber toughened epoxy. Unidirectional composites in all twelve combinations were fabricated and tested in transverse tension and axial compression. Quasi-isotropic laminates were tested in axial tension and compression, flexure, interlaminar shear, and tensile impact. All tests were conducted at both room temperature, dry and elevated temperature, and wet conditions. Single fiber pullout testing was also performed. Extensive scanning electron microphotographs of fracture surfaces are included, along with photographs of single fiber pullout failures. Analytical/experimental correlations are presented, based on the results of a finite element micromechanics analysis. Correlations between matrix type, fiber sizing, hygrothermal environment, and loading mode are presented. Results indicate that the various composite properties were only moderately influenced by the fiber sizings utilized.

Test and analysis of Celion 3000/PMR-15, graphite/polyimide bonded composite joints: Data report

NASA Technical Reports Server (NTRS)

Cushman, J. B.; Mccleskey, S. F.; Ward, S. H.

1982-01-01

Standard single lap, double lap and symmetric step lap bonded joints of Celion 3000/PMR-15 graphite/polyimide composite were evaluated. Composite to composite and composite to titanium joints were tested at 116 K (-250 F), 294 K (70 F) and 561 K (550 F). Joint parameters evaluated are lap length, adherend thickness, adherend axial stiffness, lamina stacking sequence and adherend tapering. Advanced joint concepts were examined to establish the change in performance of preformed adherends, scalloped adherends and hybrid systems. The material properties of the high temperature adhesive, designated A7F, used for bonding were established. The bonded joint tests resulted in interlaminar shear or peel failures of the composite and there were very few adhesive failures. Average test results agree with expected performance trends for the various test parameters. Results of finite element analyses and of test/analysis correlations are also presented.

Characteristics of thermally-induced transverse cracks in graphite epoxy composite laminates

NASA Technical Reports Server (NTRS)

Adams, D. S.; Bowles, D. E.; Herakovich, C. T.

1983-01-01

The characteristics of thermally induced transverse cracks in T300/5208 graphite-epoxy cross-ply and quasi-isotropic laminates were investigated both experimentally and analytically. The formation of transverse cracks and the subsequent crack spacing present during cool down to -250 F (116K) and thermal cycling between 250 and -250 F (116 and 394K) was investigated. The state of stress in the vicinity of a transverse crack and the influence of transverse cracking on the laminate coefficient of thermal expansion (CTE) was predicted using a generalized plane strain finite element analysis and a modified shear lag analysis. A majority of the cross-ply laminates experienced transverse cracking during the initial cool down to -250 F whereas the quasi-isotropic laminates remained uncracked. The in situ transverse strength of the 90 degree layers was more than 1.9 times greater than the transverse strength of the unidirectional 90 degree material for all laminates investigated.

Structural Response and Failure of a Full-Scale Stitched Graphite-Epoxy Wing

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.; Lovejoy, Andrew E.; Bush, Harold G.

2001-01-01

Analytical and experimental results of the test for an all-composite full-scale wing box are presented. The wing box is representative of a section of a 220-passenger commercial transport aircraft wing box and was designed and constructed by The Boeing Company as part of the NASA Advanced Subsonics Technology (AST) program. The semi-span wing was fabricated from a graphite-epoxy material system with cover panels and spars held together using Kevlar stitches through the thickness. No mechanical fasteners were used to hold the stiffeners to the skin of the cover panels. Tests were conducted with and without low-speed impact damage, discrete source damage and repairs. Up-bending down-bending and brake roll loading conditions were applied. The structure with nonvisible impact damage carried 97% of Design Ultimate Load prior to failure through a lower cover panel access hole. Finite element and experimental results agree for the global response of the structure.

Transfer impedance measurements of the space shuttle Solid Rocket Motor (SRM) joints, wire meshes and a carbon graphite motor case

NASA Technical Reports Server (NTRS)

Papazian, Peter B.; Perala, Rodney A.; Curry, John D.; Lankford, Alan B.; Keller, J. David

1988-01-01

Using three different current injection methods and a simple voltage probe, transfer impedances for Solid Rocket Motor (SRM) joints, wire meshes, aluminum foil, Thorstrand and a graphite composite motor case were measured. In all cases, the surface current distribution for the particular current injection device was calculated analytically or by finite difference methods. The results of these calculations were used to generate a geometric factor which was the ratio of total injected current to surface current density. The results were validated in several ways. For wire mesh measurements, results showed good agreement with calculated results for a 14 by 18 Al screen. SRM joint impedances were independently verified. The filiment wound case measurement results were validated only to the extent that their curve shape agrees with the expected form of transfer impedance for a homogeneous slab excited by a plane wave source.

Evaluation of the Structural Response and Failure of a Full-Scale Stitched Graphite-Epoxy Wing

NASA Astrophysics Data System (ADS)

Jegley, Dawn C.; Bush, Harold G.; Lovejoy, Andrew E.

2001-01-01

Analytical and experimental results for an all-composite full-scale wing box are presented. The wing box is representative of a section of a 220-passenger commercial transport aircraft wing box and was designed and constructed by The Boeing Company as part of the NASA Advanced Subsonics Technology (AST) program. The semi-span wing was fabricated from a graphite-epoxy material system with cover panels and spars held together using Kevlar stitches through the thickness. No mechanical fasteners were used to hold the stiffeners to the skin of the cover panels. Tests were conducted with and without low-speed impact damage, discrete source damage and repairs. Upbending, down-bending and brake roll loading conditions were applied. The structure with nonvisible impact damage carried 97% of Design Ultimate Load prior to failure through a lower cover panel access hole. Finite element and experimental results agree for the global response of the structure.

Multi-functional laser fabrication of diamond (Conference Presentation)

NASA Astrophysics Data System (ADS)

Salter, Patrick S.; Booth, Martin J.

2017-03-01

Ultrafast laser fabrication enables micro-structuring of diamond in 3D with a range of functionality. An ultrashort pulsed beam focused beneath the diamond surface induces structural modifications which are highly localised in three dimensions. At high pulse energy, the laser breaks down the diamond lattice at focus to form a graphitic phase. We demonstrate high resolution analysis of the structural changes revealing the graphitic phase to be formed of small clusters ( 100 nm in size) of amorphous sp2 bonded carbon accompanied by localised cracking of the diamond. When the laser focus is traced through the diamond, continuous graphitic wires are created which are electrically conductive. We have used such wires to fabricate large-area 3D radiation sensors which have been employed for the detection of high energy protons. Such graphitic wires have an associated stress field and a related localised modulation of the refractive index. We have recently written combinations of graphitic tracks in diamond to engineer stress fields to give a desired refractive index distribution and form an optical waveguide. Type III waveguides are demonstrated that allow guiding of both polarization states. We also show that by reducing the laser pulse energy, it is possible to avoid complete breakdown of the diamond lattice and simply introduce an ensemble of vacancies within the focal volume. This can be used to create single coherent NV centres in diamond isolated in 3D. All these processes are improved by processing at high numerical aperture (NA), for which adaptive optics aberration correction is essential.

Unusual Enhancement in Intrinsic Thermal Conductivity of Multilayer Graphene by Tensile Strains

DOE PAGES

Kuang, Youdi; Lindsay, Lucas R.; Huang, Baoling

2015-01-01

High basal plane thermal conductivity k of multi-layer graphene makes it promising for thermal management applications. Here we examine the effects of tensile strain on thermal transport in this system. Using a first principles Boltzmann-Peierls equation for phonon transport approach, we calculate the room-temperature in-plane lattice k of multi-layer graphene (up to four layers) and graphite under different isotropic tensile strains. The calculated in-plane k of graphite, finite mono-layer graphene and 3-layer graphene agree well with previous experiments. The dimensional transitions of the intrinsic k and the extent of the diffusive transport regime from mono-layer graphene to graphite are presented.more » We find a peak enhancement of intrinsic k for multi-layer graphene and graphite with increasing strain and the largest enhancement amplitude is about 40%. In contrast the calculated intrinsic k with tensile strain decreases for diamond and diverges for graphene, we show that the competition between the decreased mode heat capacities and the increased lifetimes of flexural phonons with increasing strain contribute to this k behavior. Similar k behavior is observed for 2-layer hexagonal boron nitride systems, suggesting that it is an inherent thermal transport property in multi-layer systems assembled of purely two dimensional atomic layers. This study provides insights into engineering k of multi-layer graphene and boron nitride by strain and into the nature of thermal transport in quasi-two-dimensional and highly anisotropic systems.« less

Nonlinear thermal dynamic analysis of graphit/aluminum composite plates

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

Tenneti, R.; Chandrashekhara, K.

1994-09-01

Because of the increased application of composite materials in high-temperature environments, the thermoelastic analysis of laminated composite structures is important. Many researchers have applied the classical lamination theory to analyze laminated plates under thermomechanical loading, which neglects shear deformation effects. The transverse shear deformation effects are not negligible as the ratios of inplane elastic modulus to transverse shear modulus are relatively large for fiber-reinforced composite laminates. The application of first-order shear deformation theory for the thermoelastic analysis of laminated plates has been reported by only a few investigators. Reddy and Hsu have considered the thermal bending of laminated plates. Themore » analytical and finite element solutions for the thermal bucking of laminated plates have been reported by Tauchert and Chandrashekara, respectively. However, the first-order shear deformation theory, based on the assumption of constant distribution of transverse shear through the thickness, requires a shear correction factor to account for the parabolic shear strain distribution. Higher order theories have been proposed which eliminate the need for a shear correction factor. In the present work, nonlinear dynamic analysis of laminated plates subjected to rapid heating is investigated using a higher order shear deformation theory. A C(sup 0) finite element model with seven degrees of freedom per node is implmented and numerical results are presented for laminated graphite/aluminum plates.« less

Ion mobility studies of PdC{sub n}{sup +} clusters: Where are the fullerenes?

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

Shelimov, K.B.; Jarrold, M.F.

1995-12-14

Gas-phase ion mobility measurements have been used to study the structures and isomerization of PdC{sub n}{sup +} (n = 10-60) clusters. Non-fullerene isomers of PdC{sub n}{sup +} clusters are similar to those of C{sub n}{sup +} and MC{sub n}{sup +} (M = La and Nb) clusters, and include metal-containing mono- and bicyclic rings and graphite sheets. Neither endohedral nor nonendohedral PdC{sub n} {sup +} fullerene isomers are detected. When collisionally heated, PdC{sub n}{sup +} clusters efficiently convert into fullerenes, but the exothermicity of this process results in the loss of the Pd atom and the formation of a pure carbonmore » cluster cation. PdC{sub n}{sup +} bicyclic rings with an odd number of carbon atoms efficiently isomerize into monocyclic rings, while no evidence is found for this isomerization process for bicyclic rings with an even number of carbon atoms. 18 refs., 4 figs.« less

Down-to-earth studies of carbon clusters

NASA Technical Reports Server (NTRS)

Smalley, R. E.

1990-01-01

Recent advances in supersonic beam experiments with laser-vaporization sources of clusters have provided some interesting new insights into the nature of the small clusters of carbon, and the processes through which carbon condenses. One cluster in particular, C(sub 60), appears to play a central role. It is argued that this cluster takes the shape of a soccerball: a hollow sphere composed of a shell of 60 carbon atoms connected by a lattice of hexagonal and pentagonal rings, in a pattern of overall icosahedral symmetry. Although C(sub 60) appears to be uniquely stable due to its perfect symmetry, all other even-numbered carbon clusters in the 32 to 100+ atom size range seem to favor similar closed spheroidal forms. These species are interpreted as relatively unreactive side products in condensation reactions of carbon vapor involving spiraling graphitic sheets. The prevalence of C(sub 60) in laser-vaporized carbon vapors and sooting flames suggests that it may be formed readily whenever carbon condenses. Such ready formation and extraordinary stability may have substantial astrophysical implications.

Down-to-earth studies of carbon clusters

NASA Astrophysics Data System (ADS)

Smalley, R. E.

1990-04-01

Recent advances in supersonic beam experiments with laser-vaporization sources of clusters have provided some interesting new insights into the nature of the small clusters of carbon, and the processes through which carbon condenses. One cluster in particular, C60, appears to play a central role. It is argued that this cluster takes the shape of a soccer ball: a hollow sphere composed of a shell of 60 carbon atoms connected by a lattice of hexagonal and pentagonal rings, in a pattern of overall icosahedral symmetry. Although C60 appears to be uniquely stable due to its perfect symmetry, all other even-numbered carbon clusters in the 32 to 100+ atom size range seem to favor similar closed spheroidal forms. These species are interpreted as relatively unreactive side products in condensation reactions of carbon vapor involving spiraling graphitic sheets. The prevalence of C60 in laser-vaporized carbon vapors and sooting flames suggests that it may be formed readily whenever carbon condenses. Such ready formation and extraordinary stability may have substantial astrophysical implications.

A Nanoporous Carbon/Exfoliated Graphite Composite For Supercapacitor Electrodes

NASA Astrophysics Data System (ADS)

Rosi, Memoria; Ekaputra, Muhamad P.; Iskandar, Ferry; Abdullah, Mikrajuddin; Khairurrijal

2010-12-01

Nanoporous carbon was prepared from coconut shells using a simple heating method. The nanoporous carbon is subjected to different treatments: without activation, activation with polyethylene glycol (PEG), and activation with sodium hydroxide (NaOH)-PEG. The exfoliated graphite was synthesized from graphite powder oxidized with zinc acetate (ZnAc) and intercalated with polyvinyl alcohol (PVA) and NaOH. A composite was made by mixing the nanoporous carbon with NaOH-PEG activation, the exfoliated graphite and a binder of PVA solution, grinding the mixture, and annealing it using ultrasonic bath for 1 hour. All of as-synthesized materials were characterized by employing a scanning electron microscope (SEM), a MATLAB's image processing toolbox, and an x-ray diffractometer (XRD). It was confirmed that the composite is crystalline with (002) and (004) orientations. In addition, it was also found that the composite has a high surface area, a high distribution of pore sizes less than 40 nm, and a high porosity (67%). Noting that the pore sizes less than 20 nm are significant for ionic species storage and those in the range of 20 to 40 nm are very accessible for ionic clusters mobility across the pores, the composite is a promising material for the application as supercapacitor electrodes.

Parameterization and Observability Analysis of Scalable Battery Clusters for Onboard Thermal Management

DTIC Science & Technology

2011-12-01

the designed parameterization scheme and adaptive observer. A cylindri- cal battery thermal model in Eq. (1) with parameters of an A123 32157 LiFePO4 ...Morcrette, M. and Delacourt, C. (2010) Thermal modeling of a cylindrical LiFePO4 /graphite lithium-ion battery. Journal of Power Sources. 195, 2961

An experimental and analytical investigation on the response of GR/EP composite I-frames

NASA Technical Reports Server (NTRS)

Moas, E., Jr.; Boitnott, R. L.; Griffin, O. H., Jr.

1991-01-01

Six-foot diameter, semicircular graphite/epoxy specimens representative of generic aircraft frames were loaded quasi-statically to determine their load response and failure mechanisms for large deflections that occur in an airplane crash. These frame-skin specimens consisted of a cylindrical skin section cocured with a semicircular I-frame. Various frame laminate stacking sequences and geometries were evaluated by statically loading the specimen until multiple failures occurred. Two analytical methods were compared for modeling the frame-skin specimens: a two-dimensional branched-shell finite element analysis and a one-dimensional, closed-form, curved beam solution derived using an energy method. Excellent correlation was obtained between experimental results and the finite element predictions of the linear response of the frames prior to the initial failure. The beam solution was used for rapid parameter and design studies, and was found to be stiff in comparison with the finite element analysis. The specimens were found to be useful for evaluating composite frame designs.

Exact combinatorial approach to finite coagulating systems

NASA Astrophysics Data System (ADS)

Fronczak, Agata; Chmiel, Anna; Fronczak, Piotr

2018-02-01

This paper outlines an exact combinatorial approach to finite coagulating systems. In this approach, cluster sizes and time are discrete and the binary aggregation alone governs the time evolution of the systems. By considering the growth histories of all possible clusters, an exact expression is derived for the probability of a coagulating system with an arbitrary kernel being found in a given cluster configuration when monodisperse initial conditions are applied. Then this probability is used to calculate the time-dependent distribution for the number of clusters of a given size, the average number of such clusters, and that average's standard deviation. The correctness of our general expressions is proved based on the (analytical and numerical) results obtained for systems with the constant kernel. In addition, the results obtained are compared with the results arising from the solutions to the mean-field Smoluchowski coagulation equation, indicating its weak points. The paper closes with a brief discussion on the extensibility to other systems of the approach presented herein, emphasizing the issue of arbitrary initial conditions.

Investigating the Co-Adsorption Behavior of Nucleic-Acid Base (Thymine and Cytosine) and Melamine at Liquid/Solid Interface

NASA Astrophysics Data System (ADS)

Zhao, Huiling; Li, Yinli; Chen, Dong; Liu, Bo

2016-12-01

The co-adsorption behavior of nucleic-acid base (thymine; cytosine) and melamine was investigated by scanning tunneling microscopy (STM) technique at liquid/solid (1-octanol/graphite) interface. STM characterization results indicate that phase separation happened after dropping the mixed solution of thymine-melamine onto highly oriented pyrolytic graphite (HOPG) surface, while the hetero-component cluster-like structure was observed when cytosine-melamine binary assembly system is used. From the viewpoints of non-covalent interactions calculated by using density functional theory (DFT) method, the formation mechanisms of these assembled structures were explored in detail. This work will supply a methodology to design the supramolecular assembled structures and the hetero-component materials composed by biological and chemical compound.

Finding Groups Using Model-Based Cluster Analysis: Heterogeneous Emotional Self-Regulatory Processes and Heavy Alcohol Use Risk

ERIC Educational Resources Information Center

Mun, Eun Young; von Eye, Alexander; Bates, Marsha E.; Vaschillo, Evgeny G.

2008-01-01

Model-based cluster analysis is a new clustering procedure to investigate population heterogeneity utilizing finite mixture multivariate normal densities. It is an inferentially based, statistically principled procedure that allows comparison of nonnested models using the Bayesian information criterion to compare multiple models and identify the…

Enhanced water window x-ray emission from in situ formed carbon clusters irradiated by intense ultra-short laser pulses

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

Chakravarty, U.; Rao, B. S.; Arora, V.

Enhanced water window x-ray emission (23–44 Å) from carbon clusters, formed in situ using a pre-pulse, irradiated by intense (I > 10{sup 17} W/cm{sup 2}) ultra-short laser pulse, is demonstrated. An order of magnitude x-ray enhancement over planar graphite target is observed in carbon clusters, formed by a sub-ns pre-pulse, interacting with intense main pulse after a delay. The effect of the delay and the duration of the main pulse is studied for optimizing the x-ray emission in the water window region. This x-ray source has added advantages of being an efficient, high repetition rate, and low debris x-ray source.

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

NASA Astrophysics Data System (ADS)

Gruber, Thomas; Liao, Ke; Tsatsoulis, Theodoros; Hummel, Felix; Grüneis, Andreas

2018-04-01

Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of many-electron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the "gold standard" coupled cluster ansatz of quantum chemistry with unprecedented efficiency. We study the energy difference between carbon diamond and graphite crystals, adsorption energies of water on h -BN, as well as the cohesive energy of the Ne solid, demonstrating the increased efficiency and accuracy of coupled cluster theory for solids and surfaces.

A Hundred-Year-Old Experiment Re-evaluated: Accurate Ab-Initio Monte-Carlo Simulations of the Melting of Radon.

PubMed

Schwerdtfeger, Peter; Smits, Odile; Pahl, Elke; Jerabek, Paul

2018-06-12

State-of-the-art relativistic coupled-cluster theory is used to construct many-body potentials for the rare gas element radon in order to determine its bulk properties including the solid-to-liquid phase transition from parallel tempering Monte Carlo simulations through either direct sampling of the bulk or from a finite cluster approach. The calculated melting temperature are 201(3) K and 201(6) K from bulk simulations and from extrapolation of finite cluster values, respectively. This is in excellent agreement with the often debated (but widely cited) and only available value of 202 K, dating back to measurements by Gray and Ramsay in 1909. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Clustering and pasta phases in nuclear density functional theory

DOE PAGES

Schuetrumpf, Bastian; Zhang, Chunli; Nazarewicz, Witold

2017-05-23

Nuclear density functional theory is the tool of choice in describing properties of complex nuclei and intricate phases of bulk nucleonic matter. It is a microscopic approach based on an energy density functional representing the nuclear interaction. An attractive feature of nuclear DFT is that it can be applied to both finite nuclei and pasta phases appearing in the inner crust of neutron stars. While nuclear pasta clusters in a neutron star can be easily characterized through their density distributions, the level of clustering of nucleons in a nucleus can often be difficult to assess. To this end, we usemore » the concept of nucleon localization. We demonstrate that the localization measure provides us with fingerprints of clusters in light and heavy nuclei, including fissioning systems. Furthermore we investigate the rod-like pasta phase using twist-averaged boundary conditions, which enable calculations in finite volumes accessible by state of the art DFT solvers.« less

Design, fabrication and test of graphite/polyimide composite joints and attachments for advanced aerospace vehicles

NASA Technical Reports Server (NTRS)

Skoumal, D. E.

1980-01-01

Bonded and bolted designs are presented for each of four major attachment types. Prepreg processing problems are discussed and quality control data are given for lots 2W4604, 2W4632 and 2W4643. Preliminary design allowables test results for tension tests and compression tests of laminates are included. The final small specimen test matrix is defined and the configuration of symmetric step-lap joint specimens are shown. Finite element modeling studies of a double lap joint were performed to evaluate the number of elements required through the adhesive thickness to assess effects of various joint parameters on stress distributions. Results of finite element analyses assessing the effect of an adhesive fillet on the stress distribution in a double lap joint are examined.

Compression failure mechanisms of uni-ply composite plates with a circular cutout

NASA Technical Reports Server (NTRS)

Khamseh, A. R.; Waas, A. M.

1992-01-01

The effect of circular-hole size on the failure mode of uniply graphite-epoxy composite plates is investigated experimentally and analytically for uniaxial compressive loading. The test specimens are sandwiched between polyetherimide plastic for nondestructive evaluations of the uniply failure mechanisms associated with a range of hole sizes. Finite-element modeling based on classical lamination theory is conducted for the corresponding materials and geometries to reproduce the experimental results analytically. The type of compressive failure is found to be a function of hole size, with fiber buckling/kinking at the hole being the dominant failure mechanism for hole diam/plate width ratios exceeding 0.062. The results of the finite-element analysis supported the experimental data for these failure mechanisms and for those corresponding to smaller hole sizes.

Uranium distribution and 'excessive' U-He ages in iron meteoritic troilite

NASA Technical Reports Server (NTRS)

Fisher, D. E.

1985-01-01

Fission tracking techniques were used to measure the uranium distribution in meteoritic troilite and graphite. The obtained fission tracking data showed a heterogeneous distribution of tracks with a significant portion of track density present in the form of uranium clusters at least 10 microns in size. The matrix containing the clusters was also heterogeneous in composition with U concentrations of about 0.2-4.7 ppb. U/He ages could not be estimated on the basis of the heterogeneous U distributions, so previously reported estimates of U/He ages in the presolar range are probably invalid.

Localized Overheating Phenomena and Optimization of Spark-Plasma Sintering Tooling Design

PubMed Central

Giuntini, Diletta; Olevsky, Eugene A.; Garcia-Cardona, Cristina; Maximenko, Andrey L.; Yurlova, Maria S.; Haines, Christopher D.; Martin, Darold G.; Kapoor, Deepak

2013-01-01

The present paper shows the application of a three-dimensional coupled electrical, thermal, mechanical finite element macro-scale modeling framework of Spark Plasma Sintering (SPS) to an actual problem of SPS tooling overheating, encountered during SPS experimentation. The overheating phenomenon is analyzed by varying the geometry of the tooling that exhibits the problem, namely by modeling various tooling configurations involving sequences of disk-shape spacers with step-wise increasing radii. The analysis is conducted by means of finite element simulations, intended to obtain temperature spatial distributions in the graphite press-forms, including punches, dies, and spacers; to identify the temperature peaks and their respective timing, and to propose a more suitable SPS tooling configuration with the avoidance of the overheating as a final aim. Electric currents-based Joule heating, heat transfer, mechanical conditions, and densification are imbedded in the model, utilizing the finite-element software COMSOL™, which possesses a distinguishing ability of coupling multiple physics. Thereby the implementation of a finite element method applicable to a broad range of SPS procedures is carried out, together with the more specific optimization of the SPS tooling design when dealing with excessive heating phenomena. PMID:28811398

A Nonequilibrium Finite-Rate Carbon Ablation Model for Radiating Earth Re-entry Flows

DTIC Science & Technology

2015-09-17

model was a short half-cylinder made of isomolded graphite and was tested in 8.6 km/ s Earth entry ow. The model surface was heated within a temperature...capsule [98, 49, 112]. For the Star- dust return capsule that had an Earth entry velocity of 12 km/ s , equilibrium surface recession was over predicted...was tested at 8.6 km/ s Earth entry ow monitored by ultraviolet (UV) spec- trometry. The experiments pre-heated the model to high temperatures to

Evolution of the secondary electron emission during the graphitization of thin C films

NASA Astrophysics Data System (ADS)

Larciprete, Rosanna; Grosso, Davide Remo; Di Trolio, Antonio; Cimino, Roberto

2015-02-01

The relation between the atomic hybridization and the secondary electron emission yield (SEY) in carbon materials has been investigated during the thermal graphitization of thin amorphous carbon layers deposited by magnetron sputtering on Cu substrates. C1s core level, valence band and Raman spectroscopy were used to follow the sp3→sp2 structural reorganization while the SEY curves as a function of the kinetic energy of the incident electron beam were measured in parallel. We found that an amorphous C layer with a thickness of a few tens of nanometers is capable to modify the secondary emission properties of the clean copper surface, reducing the maximum yield from 1.4 to 1.2. A further SEY decrease observed with the progressive conversion of sp3 hybrids into six-fold aromatic domains was related to the electronic structure close to the Fermi level of the C-films. We found that a moderate structural quality of the C layer is sufficient to notably decrease the SEY as aromatic clusters of limited size approach the secondary emission properties of graphite.

Self-Printing on Graphitic Nanosheets with Metal Borohydride Nanodots for Hydrogen Storage

NASA Astrophysics Data System (ADS)

Li, Yongtao; Ding, Xiaoli; Zhang, Qingan

2016-08-01

Although the synthesis of borohydride nanostructures is sufficiently established for advancement of hydrogen storage, obtaining ultrasmall (sub-10 nm) metal borohydride nanocrystals with excellent dispersibility is extremely challenging because of their high surface energy, exceedingly strong reducibility/hydrophilicity and complicated composition. Here, we demonstrate a mechanical-force-driven self-printing process that enables monodispersed (~6 nm) NaBH4 nanodots to uniformly anchor onto freshly-exfoliated graphitic nanosheets (GNs). Both mechanical-forces and borohydride interaction with GNs stimulate NaBH4 clusters intercalation/absorption into the graphite interlayers acting as a ‘pen’ for writing, which is accomplished by exfoliating GNs with the ‘printed’ borohydrides. These nano-NaBH4@GNs exhibit favorable thermodynamics (decrease in ΔH of ~45%), rapid kinetics (a greater than six-fold increase) and stable de-/re-hydrogenation that retains a high capacity (up to ~5 wt% for NaBH4) compared with those of micro-NaBH4. Our results are helpful in the scalable fabrication of zero-dimensional complex hydrides on two-dimensional supports with enhanced hydrogen storage for potential applications.

Self-Printing on Graphitic Nanosheets with Metal Borohydride Nanodots for Hydrogen Storage

PubMed Central

Li, Yongtao; Ding, Xiaoli; Zhang, Qingan

2016-01-01

Although the synthesis of borohydride nanostructures is sufficiently established for advancement of hydrogen storage, obtaining ultrasmall (sub-10 nm) metal borohydride nanocrystals with excellent dispersibility is extremely challenging because of their high surface energy, exceedingly strong reducibility/hydrophilicity and complicated composition. Here, we demonstrate a mechanical-force-driven self-printing process that enables monodispersed (~6 nm) NaBH4 nanodots to uniformly anchor onto freshly-exfoliated graphitic nanosheets (GNs). Both mechanical-forces and borohydride interaction with GNs stimulate NaBH4 clusters intercalation/absorption into the graphite interlayers acting as a ‘pen’ for writing, which is accomplished by exfoliating GNs with the ‘printed’ borohydrides. These nano-NaBH4@GNs exhibit favorable thermodynamics (decrease in ∆H of ~45%), rapid kinetics (a greater than six-fold increase) and stable de-/re-hydrogenation that retains a high capacity (up to ~5 wt% for NaBH4) compared with those of micro-NaBH4. Our results are helpful in the scalable fabrication of zero-dimensional complex hydrides on two-dimensional supports with enhanced hydrogen storage for potential applications. PMID:27484735

Microwave plasma chemical synthesis of nanocrystalline carbon film structures and study their properties

NASA Astrophysics Data System (ADS)

Bushuev, N.; Yafarov, R.; Timoshenkov, V.; Orlov, S.; Starykh, D.

2015-08-01

The self-organization effect of diamond nanocrystals in polymer-graphite and carbon films is detected. The carbon materials deposition was carried from ethanol vapors out at low pressure using a highly non-equilibrium microwave plasma. Deposition processes of carbon film structures (diamond, graphite, graphene) is defined. Deposition processes of nanocrystalline structures containing diamond and graphite phases in different volume ratios is identified. The solid film was obtained under different conditions of microwave plasma chemical synthesis. We investigated the electrical properties of the nanocrystalline carbon films and identified it's from various factors. Influence of diamond-graphite film deposition mode in non-equilibrium microwave plasma at low pressure on emission characteristics was established. This effect is justified using the cluster model of the structure of amorphous carbon. It was shown that the reduction of bound hydrogen in carbon structures leads to a decrease in the threshold electric field of emission from 20-30 V/m to 5 V/m. Reducing the operating voltage field emission can improve mechanical stability of the synthesized film diamond-graphite emitters. Current density emission at least 20 A/cm2 was obtained. Nanocrystalline carbon film materials can be used to create a variety of functional elements in micro- and nanoelectronics and photonics such as cold electron source for emission in vacuum devices, photonic devices, cathodoluminescent flat display, highly efficient white light sources. The obtained graphene carbon net structure (with a net size about 6 μm) may be used for the manufacture of large-area transparent electrode for solar cells and cathodoluminescent light sources

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

Lii-Rosales, Ann; Zhou, Yinghui; Wallingford, Mark

When using scanning tunneling microscopy, we characterize a surface carbide that forms such that Dy is deposited on the basal plane of graphite. In order to form carbide islands on terraces, Dy is first deposited at 650–800 K, which forms large metallic islands. Upon annealing at 1000 K, these clusters convert to carbide. Deposition directly at 1000 K is ineffective because nucleation on terraces is inhibited. Reaction is signaled by the fact that each carbide cluster is partially or totally surrounded by an etch pit. The etch pit is one carbon layer deep for most carbide clusters. Carbide clusters aremore » also identifiable by striations on their surfaces. Based on mass balance, and assuming that only the surface layer of carbon is involved in the reaction, the carbide has stoichiometry D y 2 C . This is Dy-rich compared with the most common bulk carbide Dy C 2 , which may reflect limited surface carbon transport to the carbide.« less

Concept for a beryllium divertor with in-situ plasma spray surface regeneration

NASA Astrophysics Data System (ADS)

Smith, M. F.; Watson, R. D.; McGrath, R. T.; Croessmann, C. D.; Whitley, J. B.; Causey, R. A.

1990-04-01

Two serious problems with the use of graphite tiles on the ITER divertor are the limited lifetime due to erosion and the difficulty of replacing broken tiles inside the machine. Beryllium is proposed as an alternative low-Z armor material because the plasma spray process can be used to make in-situ repairs of eroded or damaged surfaces. Recent advances in plasma spray technology have produced beryllium coatings of 98% density with a 95% deposition efficiency and strong adhesion to the substrate. With existing technology, the entire active region of the ITER divertor surface could be coated with 2 mm of beryllium in less than 15 h using four small plasma spray guns. Beryllium also has other potential advantages over graphite, e.g., efficient gettering of oxygen, ten times less tritium inventory, reduced problems of transient fueling from D/T exchange and release, no runaway erosion cascades from self-sputtering, better adhesion of redeposited material, as well as higher strength, ductility, and fracture toughness than graphite. A 2-D finite element stress analysis was performed on a 3 mm thick Be tile brazed to an OFHC soft-copper saddle block, which was brazed to a high-strength copper tube. Peak stresses remained 50% below the ultimate strength for both brazing and in-service thermal stresses.

Epidemic Threshold in Structured Scale-Free Networks

NASA Astrophysics Data System (ADS)

EguíLuz, VíCtor M.; Klemm, Konstantin

2002-08-01

We analyze the spreading of viruses in scale-free networks with high clustering and degree correlations, as found in the Internet graph. For the susceptible-infected-susceptible model of epidemics the prevalence undergoes a phase transition at a finite threshold of the transmission probability. Comparing with the absence of a finite threshold in networks with purely random wiring, our result suggests that high clustering (modularity) and degree correlations protect scale-free networks against the spreading of viruses. We introduce and verify a quantitative description of the epidemic threshold based on the connectivity of the neighborhoods of the hubs.

Proposal for Testing and Validation of Vacuum Ultra-Violet Atomic Laser-Induced Fluorescence as a Method to Analyze Carbon Grid Erosion in Ion Thrusters

NASA Technical Reports Server (NTRS)

Stevens, Richard

2003-01-01

Previous investigation under award NAG3-25 10 sought to determine the best method of LIF to determine the carbon density in a thruster plume. Initial reports from other groups were ambiguous as to the number of carbon clusters that might be present in the plume of a thruster. Carbon clusters would certainly affect the ability to LIF; if they were the dominant species, then perhaps the LIF method should target clusters. The results of quadrupole mass spectroscopy on sputtered carbon determined that minimal numbers of clusters were sputtered from graphite under impact from keV Krypton. There were some investigations in the keV range by other groups that hinted at clusters, but at the time the proposal was presented to NASA, there was no data from low-energy sputtering available. Thus, the proposal sought to develop a method to characterize the population only of atoms sputtered from a graphite target in a test cell. Most of the ground work had been established by the previous two years of investigation. The proposal covering 2003 sought to develop an anti-Stokes Raman shifting cell to generate VUW light and test this cell on two different laser systems, ArF and YAG- pumped dye. The second goal was to measure the lowest detectable amounts of carbon atoms by 156.1 nm and 165.7 nm LIF. If equipment was functioning properly, it was expected that these goals would be met easily during the timeframe of the proposal, and that is the reason only modest funding was requested. The PI was only funded at half- time by Glenn during the summer months. All other work time was paid for by Whitworth College. The college also funded a student, Charles Shawley, who worked on the project during the spring.

Auger parameter and Wagner plot studies of small copper clusters

NASA Astrophysics Data System (ADS)

Moretti, Giuliano; Palma, Amedeo; Paparazzo, Ernesto; Satta, Mauro

2016-04-01

We discuss application of the Auger parameter and Wagner plot concepts to the study of small copper clusters deposited on various supports such as C(graphite), SiO2 and Al2O3. We demonstrate that the cluster size and the electronic properties of the support influence the shifts of both the binding energy of the Cu 2p3/2 transition and the kinetic energy of the Cu L3M45M45; 1G Auger transition. We find that the Cu L3M45M45; 1G-2p3/2 Auger parameter and Wagner plot allow one to single out and measure both initial- and final-state effects with a detail which is superior to that achieved in photoemission studies.

Molecular dynamics study of the melting of a supported 887-atom Pd decahedron.

PubMed

Schebarchov, D; Hendy, S C; Polak, W

2009-04-08

We employ classical molecular dynamics simulations to investigate the melting behaviour of a decahedral Pd(887) cluster on a single layer of graphite (graphene). The interaction between Pd atoms is modelled with an embedded-atom potential, while the adhesion of Pd atoms to the substrate is approximated with a Lennard-Jones potential. We find that the decahedral structure persists at temperatures close to the melting point, but that just below the melting transition, the cluster accommodates to the substrate by means of complete melting and then recrystallization into an fcc structure. These structural changes are in qualitative agreement with recently proposed models, and they verify the existence of an energy barrier preventing softly deposited clusters from 'wetting' the substrate at temperatures below the melting point.

Self-Assembly of Octopus Nanoparticles into Pre-Programmed Finite Clusters

NASA Astrophysics Data System (ADS)

Halverson, Jonathan; Tkachenko, Alexei

2012-02-01

The precise control of the spatial arrangement of nanoparticles (NP) is often required to take full advantage of their novel optical and electronic properties. NPs have been shown to self-assemble into crystalline structures using either patchy surface regions or complementary DNA strands to direct the assembly. Due to a lack of specificity of the interactions these methods lead to only a limited number of structures. An emerging approach is to bind ssDNA at specific sites on the particle surface making so-called octopus NPs. Using octopus NPs we investigate the inverse problem of the self-assembly of finite clusters. That is, for a given target cluster (e.g., arranging the NPs on the vertices of a dodecahedron) what are the minimum number of complementary DNA strands needed for the robust self-assembly of the cluster from an initially homogeneous NP solution? Based on the results of Brownian dynamics simulations we have compiled a set of design rules for various target clusters including cubes, pyramids, dodecahedrons and truncated icosahedrons. Our approach leads to control over the kinetic pathway and has demonstrated nearly perfect yield of the target.

The glass-liquid transition of water on hydrophobic surfaces

NASA Astrophysics Data System (ADS)

Souda, Ryutaro

2008-09-01

Interactions of thin water films with surfaces of graphite and vitrified room-temperature ionic liquid [1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6])] were investigated using time-of-flight secondary ion mass spectrometry as a function of temperature and annealing time to elucidate the glass-liquid transition of water at the molecular level. Surface diffusion of water occurs at temperatures higher than 120K, thereby forming three-dimensional clusters (a two-dimensional layer) on the [bmim][PF6] (graphite) surface. The hydrophobic effect of the surface decreases with increasing coverage of water; the bulklike properties evolve up to 40 ML, as evidenced by the occurrence of film dewetting at around the conventional glass transition temperature (140K). Results also showed that aging is necessary for the water monolayer (a 40 ML water film) to dewet the graphite ([bmim][PF6]) surface. The occurrence of aging is explainable by the successive evolution of two distinct liquids during the glass-liquid transition: low density liquid is followed by supercooled liquid water. The water monolayer on graphite is characterized by the preferred orientation of unpaired OH groups toward the surface; this structure is arrested during the aging time despite the occurrence of surface diffusion. However, the water monolayer formed on the [bmim][PF6] surface agglomerates immediately after the commencement of surface diffusion. The structure of low density liquid tends to be arrested by the attractive interaction with the neighbors.

Clustering of low-valence particles: structure and kinetics.

PubMed

Markova, Olga; Alberts, Jonathan; Munro, Edwin; Lenne, Pierre-François

2014-08-01

We compute the structure and kinetics of two systems of low-valence particles with three or six freely oriented bonds in two dimensions. The structure of clusters formed by trivalent particles is complex with loops and holes, while hexavalent particles self-organize into regular and compact structures. We identify the elementary structures which compose the clusters of trivalent particles. At initial stages of clustering, the clusters of trivalent particles grow with a power-law time dependence. Yet at longer times fusion and fission of clusters equilibrates and clusters form a heterogeneous phase with polydispersed sizes. These results emphasize the role of valence in the kinetics and stability of finite-size clusters.

Study of Surface Cleaning Methods and Pyrolysis Temperature on Nano-Structured Carbon Films using X-ray Photoelectron Spectroscopy

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

Kerber, Pranita B.; Porter, Lisa M.; McCullough, L. A.

2012-10-12

Nanostructured carbon (ns-C) films fabricated by stabilization and pyrolysis of di-block copolymers are of interest for a variety of electrical/electronic applications due to their chemical inertness, high-temperature insensitivity, very high surface area, and tunable electrical resistivity over a wide range [Kulkarni et al., Synth. Met. 159, (2009) 177]. Because of their high porosity and associated high specific surface area, controlled surface cleaning studies are important for fabricating electronic devices from these films. In this study, quantification of surface composition and surface cleaning studies on ns-C films synthesized by carbonization of di-block copolymers of polyacrylonitrile-b-poly(n-butyl acrylate) (PAN-b-PBA) at two different temperaturesmore » were carried out. X-ray photoelectron spectroscopy was used for elemental analysis and to determine the efficacy of various surface cleaning methods for ns-C films and to examine the polymer residues in the films. The in-situ surface cleaning methods included: HF vapor treatment, vacuum annealing, and exposure to UV-ozone. Quantitative analysis of high-resolution XPS scans showed 11 at. % of nitrogen present in the films pyrolyzed at 600 °C, suggesting incomplete denitrogenation of the copolymer films. The nitrogen atomic concentration reduced significantly for films pyrolyzed at 900 °C confirming extensive denitrogenation at that temperature. Furthermore, quantitative analysis of nitrogen sub-peaks indicated higher loss of nitrogen atoms residing at the edge of graphitic clusters relative to that of nitrogen atoms within the graphitic cluster, suggesting higher graphitization with increasing pyrolysis temperature. Of the surface cleaning methods investigated, in-situ annealing of the films at 300 °C for 40 min was found to be the most efficacious in removing adventitious carbon and oxygen impurities from the surface.« less

Study of surface cleaning methods and pyrolysis temperatures on nanostructured carbon films using x-ray photoelectron spectroscopy

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

Kerber, Pranita; Porter, Lisa M.; McCullough, Lynne A.

2012-11-15

Nanostructured carbon (ns-C) films fabricated by stabilization and pyrolysis of diblock copolymers are of interest for a variety of electrical/electronic applications due to their chemical inertness, high-temperature insensitivity, very high surface area, and tunable electrical resistivity over a wide range [Kulkarni et al., Synth. Met. 159, 177 (2009)]. Because of their high porosity and associated high specific surface area, controlled surface cleaning studies are important for fabricating electronic devices from these films. In this study, quantification of surface composition and surface cleaning studies on ns-C films synthesized by carbonization of diblock copolymers of polyacrylonitrile-b-poly(n-butyl acrylate) at two different temperatures weremore » carried out. X-ray photoelectron spectroscopy was used for elemental analysis and to determine the efficacy of various surface cleaning methods for ns-C films and to examine the polymer residues in the films. The in-situ surface cleaning methods included HF vapor treatment, vacuum annealing, and exposure to UV-ozone. Quantitative analysis of high-resolution XPS scans showed 11 at. % nitrogen was present in the films pyrolyzed at 600 Degree-Sign C, suggesting incomplete denitrogenation of the copolymer films. The nitrogen atomic concentration decreased significantly for films pyrolyzed at 900 Degree-Sign C confirming extensive denitrogenation at that temperature. Furthermore, quantitative analysis of nitrogen subpeaks indicated higher loss of nitrogen atoms residing at the edge of graphitic clusters relative to that of nitrogen atoms within the graphitic clusters, suggesting higher graphitization with increasing pyrolysis temperature. Of the surface cleaning methods investigated, in-situ annealing of the films at 300 Degree-Sign C for 40 min was found to be the most efficacious in removing adventitious carbon and oxygen impurities from the surface.« less

Enhancement of magnetocaloric effect in the Gd 2Al phase by Co alloying

DOE PAGES

Huang, Z. Y.; Fu, H.; Hadimani, R. L.; ...

2014-11-14

We observe that Cu clusters grow on surface terraces of graphite as a result of physical vapor deposition in ultrahigh vacuum. We show that the observation is incompatible with a variety of models incorporating homogeneous nucleation and high level calculations of atomic-scale energetics. An alternative explanation, ion-mediated heterogeneous nucleation, is proposed and validated, both with theory and experiment. This serves as a case study in identifying when and whether the simple, common observation of metal clusters on carbon-rich surfaces can be interpreted in terms of homogeneous nucleation. We describe a general approach for making system-specific and laboratory-specific predictions.

Hydrodynamic fractionation of finite size gold nanoparticle clusters.

PubMed

Tsai, De-Hao; Cho, Tae Joon; DelRio, Frank W; Taurozzi, Julian; Zachariah, Michael R; Hackley, Vincent A

2011-06-15

We demonstrate a high-resolution in situ experimental method for performing simultaneous size classification and characterization of functional gold nanoparticle clusters (GNCs) based on asymmetric-flow field flow fractionation (AFFF). Field emission scanning electron microscopy, atomic force microscopy, multi-angle light scattering (MALS), and in situ ultraviolet-visible optical spectroscopy provide complementary data and imagery confirming the cluster state (e.g., dimer, trimer, tetramer), packing structure, and purity of fractionated populations. An orthogonal analysis of GNC size distributions is obtained using electrospray-differential mobility analysis (ES-DMA). We find a linear correlation between the normalized MALS intensity (measured during AFFF elution) and the corresponding number concentration (measured by ES-DMA), establishing the capacity for AFFF to quantify the absolute number concentration of GNCs. The results and corresponding methodology summarized here provide the proof of concept for general applications involving the formation, isolation, and in situ analysis of both functional and adventitious nanoparticle clusters of finite size. © 2011 American Chemical Society

Experimental and computational correlation of fracture parameters KIc, JIc, and GIc for unimodular and bimodular graphite components

NASA Astrophysics Data System (ADS)

Bhushan, Awani; Panda, S. K.

2018-05-01

The influence of bimodularity (different stress ∼ strain behaviour in tension and compression) on fracture behaviour of graphite specimens has been studied with fracture toughness (KIc), critical J-integral (JIc) and critical strain energy release rate (GIc) as the characterizing parameter. Bimodularity index (ratio of tensile Young's modulus to compression Young's modulus) of graphite specimens has been obtained from the normalized test data of tensile and compression experimentation. Single edge notch bend (SENB) testing of pre-cracked specimens from the same lot have been carried out as per ASTM standard D7779-11 to determine the peak load and critical fracture parameters KIc, GIc and JIc using digital image correlation technology of crack opening displacements. Weibull weakest link theory has been used to evaluate the mean peak load, Weibull modulus and goodness of fit employing two parameter least square method (LIN2), biased (MLE2-B) and unbiased (MLE2-U) maximum likelihood estimator. The stress dependent elasticity problem of three-dimensional crack progression behaviour for the bimodular graphite components has been solved as an iterative finite element procedure. The crack characterizing parameters critical stress intensity factor and critical strain energy release rate have been estimated with the help of Weibull distribution plot between peak loads versus cumulative probability of failure. Experimental and Computational fracture parameters have been compared qualitatively to describe the significance of bimodularity. The bimodular influence on fracture behaviour of SENB graphite has been reflected on the experimental evaluation of GIc values only, which has been found to be different from the calculated JIc values. Numerical evaluation of bimodular 3D J-integral value is found to be close to the GIc value whereas the unimodular 3D J-value is nearer to the JIc value. The significant difference between the unimodular JIc and bimodular GIc indicates that GIc should be considered as the standard fracture parameter for bimodular brittle specimens.

Gap Size Uncertainty Quantification in Advanced Gas Reactor TRISO Fuel Irradiation Experiments

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

Pham, Binh T.; Einerson, Jeffrey J.; Hawkes, Grant L.

The Advanced Gas Reactor (AGR)-3/4 experiment is the combination of the third and fourth tests conducted within the tristructural isotropic fuel development and qualification research program. The AGR-3/4 test consists of twelve independent capsules containing a fuel stack in the center surrounded by three graphite cylinders and shrouded by a stainless steel shell. This capsule design enables temperature control of both the fuel and the graphite rings by varying the neon/helium gas mixture flowing through the four resulting gaps. Knowledge of fuel and graphite temperatures is crucial for establishing the functional relationship between fission product release and irradiation thermal conditions.more » These temperatures are predicted for each capsule using the commercial finite-element heat transfer code ABAQUS. Uncertainty quantification reveals that the gap size uncertainties are among the dominant factors contributing to predicted temperature uncertainty due to high input sensitivity and uncertainty. Gap size uncertainty originates from the fact that all gap sizes vary with time due to dimensional changes of the fuel compacts and three graphite rings caused by extended exposure to high temperatures and fast neutron irradiation. Gap sizes are estimated using as-fabricated dimensional measurements at the start of irradiation and post irradiation examination dimensional measurements at the end of irradiation. Uncertainties in these measurements provide a basis for quantifying gap size uncertainty. However, lack of gap size measurements during irradiation and lack of knowledge about the dimension change rates lead to gap size modeling assumptions, which could increase gap size uncertainty. In addition, the dimensional measurements are performed at room temperature, and must be corrected to account for thermal expansion of the materials at high irradiation temperatures. Uncertainty in the thermal expansion coefficients for the graphite materials used in the AGR-3/4 capsules also increases gap size uncertainty. This study focuses on analysis of modeling assumptions and uncertainty sources to evaluate their impacts on the gap size uncertainty.« less

Beyond the Rayleigh instability limit for multicharged finite systems: From fission to Coulomb explosion

PubMed Central

Last, Isidore; Levy, Yaakov; Jortner, Joshua

2002-01-01

We address the stability of multicharged finite systems driven by Coulomb forces beyond the Rayleigh instability limit. Our exploration of the nuclear dynamics of heavily charged Morse clusters enabled us to vary the range of the pair potential and of the fissibility parameter, which results in distinct fragmentation patterns and in the angular distributions of the fragments. The Rayleigh instability limit separates between nearly binary (or tertiary) spatially unisotropic fission and spatially isotropic Coulomb explosion into a large number of small, ionic fragments. Implications are addressed for a broad spectrum of dynamics in chemical physics, radiation physics of ultracold gases, and biophysics, involving the fission of clusters and droplets, the realization of Coulomb explosion of molecular clusters, the isotropic expansion of optical molasses, and the Coulomb instability of “isolated” proteins. PMID:12093910

Scaling effects in the impact response of graphite-epoxy composite beams

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.

1989-01-01

In support of crashworthiness studies on composite airframes and substructure, an experimental and analytical study was conducted to characterize size effects in the large deflection response of scale model graphite-epoxy beams subjected to impact. Scale model beams of 1/2, 2/3, 3/4, 5/6, and full scale were constructed of four different laminate stacking sequences including unidirectional, angle ply, cross ply, and quasi-isotropic. The beam specimens were subjected to eccentric axial impact loads which were scaled to provide homologous beam responses. Comparisons of the load and strain time histories between the scale model beams and the prototype should verify the scale law and demonstrate the use of scale model testing for determining impact behavior of composite structures. The nonlinear structural analysis finite element program DYCAST (DYnamic Crash Analysis of STructures) was used to model the beam response. DYCAST analysis predictions of beam strain response are compared to experimental data and the results are presented.

Experimental and analytical study of fatigue damage in notched graphite/epoxy laminates

NASA Technical Reports Server (NTRS)

Whitcomb, J. D.

1979-01-01

Both tension and compression fatigue behaviors were investigated in four notched graphite/epoxy laminates. After fatigue loading, specimens were examined for damage type and location using visual inspection, light microscopy, scanning electron microscopy, ultrasonic C-scans, and X-radiography. Delamination and ply cracking were found to be the dominant types of fatigue damage. In general, ply cracks did not propagate into adjacent plies of differing fiber orientation. To help understand the varied fatigue observations, the interlaminar stress distribution was calculated with finite element analysis for the regions around the hole and along the straight free edge. Comparison of observed delamination locations with the calculated stresses indicated that both interlaminar shear and peel stresses must be considered when predicting delamination. The effects of the fatigue cycling on residual strength and stiffness were measured for some specimens of each laminate type. Fatigue loading generally caused only small stiffness losses. In all cases, residual strengths were greater than or equal to the virgin strengths.

Stable Eutectoid Transformation in Nodular Cast Iron: Modeling and Validation

NASA Astrophysics Data System (ADS)

Carazo, Fernando D.; Dardati, Patricia M.; Celentano, Diego J.; Godoy, Luis A.

2017-01-01

This paper presents a new microstructural model of the stable eutectoid transformation in a spheroidal cast iron. The model takes into account the nucleation and growth of ferrite grains and the growth of graphite spheroids. Different laws are assumed for the growth of both phases during and below the intercritical stable eutectoid. At a microstructural level, the initial conditions for the phase transformations are obtained from the microstructural simulation of solidification of the material, which considers the divorced eutectic and the subsequent growth of graphite spheroids up to the initiation of the stable eutectoid transformation. The temperature field is obtained by solving the energy equation by means of finite elements. The microstructural (phase change) and macrostructural (energy balance) models are coupled by a sequential multiscale procedure. Experimental validation of the model is achieved by comparison with measured values of fractions and radius of 2D view of ferrite grains. Agreement with such experiments indicates that the present model is capable of predicting ferrite phase fraction and grain size with reasonable accuracy.

Ultrafast plasmon-enhanced hot electron process in model heterojunctions: Ag/TiO2 and Ag/graphite

NASA Astrophysics Data System (ADS)

Petek, Hrvoje

We study the plasmonically enhanced nonlinear photoemission from Ag nanocluster-decorated graphite and TiO2(110) surfaces by time-resolved two-photon photoemission spectroscopy (TR-2PP). Evaporating Ag atoms on graphite and TiO2 surfaces forms pancake-like Ag clusters with 5 nm diameter and 1-1.5 nm height through self-limiting growth mode. The Ag nanoparticles enhance the two-photon photoemission (2PP) signal by approximately two-orders of magnitude as compared with the bare surfaces for p-polarized excitation. In the case of s-polarization there is essentially no enhancement for graphite, and only about an order-of-magnitude enhancement for TiO2. Wavelength dependent measurements of the enhancement reveal that for Ag/graphite there is a single plasmonic resonance due to the ⊥-plasmon mode at 3.6 eV. By contrast, for Ag/TiO2 there are ⊥ and ||-plasmon modes with resonant energies of 3.8 and 3.1 eV, respectively. Apparently the dielectric properties of the substrate have strong influence on the type and frequency of Ag plasmonic modes that can exist on the surfaces. 2PP spectra of the Ag/graphite and Ag/TiO2 surfaces reveal two distinct components that are common to both. The high energy component consists of a coherent 2PP process from an occupied interface state, which only exists in the presence of Ag. We identify this state, as an interface state formed by charge donation from the Ag-5s band to the unoccupied states of the substrates. The low energy component consists of a hot electron signal that is created by plasmon dephasing. TR-2PP measurements are performed on the plasmon-induced electron dynamics to assess their relevance for plasmonically enhanced femtochemistry. This research was supported by NSF Grant CHE-1414466.

Nonlinear analysis for the response and failure of compression-loaded angle-ply laminates with a hole

NASA Technical Reports Server (NTRS)

Mathison, Steven R.; Herakovich, Carl T.; Pindera, Marek-Jerzy; Shuart, Mark J.

1987-01-01

The objective was to determine the effect of nonlinear material behavior on the response and failure of unnotched and notched angle-ply laminates under uniaxial compressive loading. The endochronic theory was chosen as the constitutive theory to model the AS4/3502 graphite-epoxy material system. Three-dimensional finite element analysis incorporating the endochronic theory was used to determine the stresses and strains in the laminates. An incremental/iterative initial strain algorithm was used in the finite element program. To increase computational efficiency, a 180 deg rotational symmetry relationship was utilized and the finite element program was vectorized to run on a supercomputer. Laminate response was compared to experimentation revealing excellent agreement for both the unnotched and notched angle-ply laminates. Predicted stresses in the region of the hole were examined and are presented, comparing linear elastic analysis to the inelastic endochronic theory analysis. A failure analysis of the unnotched and notched laminates was performed using the quadratic tensor polynomial. Predicted fracture loads compared well with experimentation for the unnotched laminates, but were very conservative in comparison with experiments for the notched laminates.

Prediction of high temperature metal matrix composite ply properties

NASA Technical Reports Server (NTRS)

Caruso, J. J.; Chamis, C. C.

1988-01-01

The application of the finite element method (superelement technique) in conjunction with basic concepts from mechanics of materials theory is demonstrated to predict the thermomechanical behavior of high temperature metal matrix composites (HTMMC). The simulated behavior is used as a basis to establish characteristic properties of a unidirectional composite idealized an as equivalent homogeneous material. The ply properties predicted include: thermal properties (thermal conductivities and thermal expansion coefficients) and mechanical properties (moduli and Poisson's ratio). These properties are compared with those predicted by a simplified, analytical composite micromechanics model. The predictive capabilities of the finite element method and the simplified model are illustrated through the simulation of the thermomechanical behavior of a P100-graphite/copper unidirectional composite at room temperature and near matrix melting temperature. The advantage of the finite element analysis approach is its ability to more precisely represent the composite local geometry and hence capture the subtle effects that are dependent on this. The closed form micromechanics model does a good job at representing the average behavior of the constituents to predict composite behavior.

First-principles melting of gallium clusters down to nine atoms: structural and electronic contributions to melting.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2013-10-07

First-principles Born-Oppenheimer molecular dynamics simulations of small gallium clusters, including parallel tempering, probe the distinction between cluster and molecule in the size range of 7-12 atoms. In contrast to the larger sizes, dynamic measures of structural change at finite temperature demonstrate that Ga7 and Ga8 do not melt, suggesting a size limit to melting in gallium exists at 9 atoms. Analysis of electronic structure further supports this size limit, additionally demonstrating that a covalent nature cannot be identified for clusters larger than the gallium dimer. Ga9, Ga10 and Ga11 melt at greater-than-bulk temperatures, with no evident covalent character. As Ga12 represents the first small gallium cluster to melt at a lower-than-bulk temperature, we examine the structural properties of each cluster at finite temperature in order to probe both the origins of greater-than-bulk melting, as well as the significant differences in melting temperatures induced by a single atom addition. Size-sensitive melting temperatures can be explained by both energetic and entropic differences between the solid and liquid phases for each cluster. We show that the lower-than-bulk melting temperature of the 12-atom cluster can be attributed to persistent pair bonding, reminiscent of the pairing observed in α-gallium. This result supports the attribution of greater-than-bulk melting in gallium clusters to the anomalously low melting temperature of the bulk, due to its dimeric structure.

Selective mode excitation in finite size plasma crystals by diffusely reflected laser light

NASA Astrophysics Data System (ADS)

Schablinski, Jan; Block, Dietmar

2015-02-01

The possibility to use diffuse reflections of a laser beam to exert a force on levitating dust particles is studied experimentally. Measurements and theoretical predictions are found to be in good agreement. Further, the method is applied to test the selective excitation of breathing-like modes in finite dust clusters.

Scaling of cluster growth for coagulating active particles

NASA Astrophysics Data System (ADS)

Cremer, Peet; Löwen, Hartmut

2014-02-01

Cluster growth in a coagulating system of active particles (such as microswimmers in a solvent) is studied by theory and simulation. In contrast to passive systems, the net velocity of a cluster can have various scalings dependent on the propulsion mechanism and alignment of individual particles. Additionally, the persistence length of the cluster trajectory typically increases with size. As a consequence, a growing cluster collects neighboring particles in a very efficient way and thus amplifies its growth further. This results in unusual large growth exponents for the scaling of the cluster size with time and, for certain conditions, even leads to "explosive" cluster growth where the cluster becomes macroscopic in a finite amount of time.

Internal and external atomic steps in graphite exhibit dramatically different physical and chemical properties.

PubMed

Lee, Hyunsoo; Lee, Han-Bo-Ram; Kwon, Sangku; Salmeron, Miquel; Park, Jeong Young

2015-04-28

We report on the physical and chemical properties of atomic steps on the surface of highly oriented pyrolytic graphite (HOPG) investigated using atomic force microscopy. Two types of step edges are identified: internal (formed during crystal growth) and external (formed by mechanical cleavage of bulk HOPG). The external steps exhibit higher friction than the internal steps due to the broken bonds of the exposed edge C atoms, while carbon atoms in the internal steps are not exposed. The reactivity of the atomic steps is manifested in a variety of ways, including the preferential attachment of Pt nanoparticles deposited on HOPG when using atomic layer deposition and KOH clusters formed during drop casting from aqueous solutions. These phenomena imply that only external atomic steps can be used for selective electrodeposition for nanoscale electronic devices.

A limiting analysis for edge effects in angle-ply laminates

NASA Technical Reports Server (NTRS)

Hsu, P. W.; Herakovich, C. T.

1976-01-01

A zeroth order solution for edge effects in angle ply composite laminates using perturbation techniques and a limiting free body approach was developed. The general method of solution for laminates is developed and then applied to the special case of a graphite/epoxy laminate. Interlaminar stress distributions are obtained as a function of the laminate thickness to width ratio h/b and compared to existing numerical results. The solution predicts stable, continuous stress distributions, determines finite maximum tensile interlaminar normal stress for two laminates, and provides mathematical evidence for singular interlaminar shear stresses.

Mass Conservation in Modeling Moisture Diffusion in Multi-Layer Carbon Composite Structures

NASA Technical Reports Server (NTRS)

Nurge, Mark A.; Youngquist, Robert C.; Starr, Stanley O.

2009-01-01

Moisture diffusion in multi-layer carbon composite structures is difficult to model using finite difference methods due to the discontinuity in concentrations between adjacent layers of differing materials. Applying a mass conserving approach at these boundaries proved to be effective at accurately predicting moisture uptake for a sample exposed to a fixed temperature and relative humidity. Details of the model developed are presented and compared with actual moisture uptake data gathered over 130 days from a graphite epoxy composite sandwich coupon with a Rohacell foam core.

Thermo-viscoelastic analysis of composite materials

NASA Technical Reports Server (NTRS)

Lin, Kuen Y.; Hwang, I. H.

1989-01-01

The thermo-viscoelastic boundary value problem for anisotropic materials is formulated and a numerical procedure is developed for the efficient analysis of stress and deformation histories in composites. The procedure is based on the finite element method and therefore it is applicable to composite laminates containing geometric discontinuities and complicated boundary conditions. Using the present formulation, the time-dependent stress and strain distributions in both notched and unnotched graphite/epoxy composites have been obtained. The effect of temperature and ply orientation on the creep and relaxation response is also studied.

Molecular Dynamics Studies of Thermal Induced Chemistry in TATB

NASA Astrophysics Data System (ADS)

Quenneville, Jason; Germann, Timothy

2007-06-01

A reactive force field (ReaxFF^2) is used with molecular dynamics to probe the chemistry induced by intense heating (accelerated `cook-off') of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Large-system simulations are desired for TATB because of the high degree of carbon clustering expected in this material. Using small, 800-atom, simulations, we will show the reaction rate as a function of temperature and density as well as the time evolution of reaction products. A larger simulation (with 14,000 atoms) will illustrate the effect of system size on both carbon clustering and reaction rate. Insight into the mechanisms of product formation will be given, as well as the chemical structure (graphitic or diamond-like) of the carbon clusters obtained. ^2 A. C. T. Van Duin, et al, J. Phys. Chem. A, 1005, 9396 (2001).

Experimental Measurement and Numerical Modeling of the Effective Thermal Conductivity of TRISO Fuel Compacts

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

Folsom, Charles; Xing, Changhu; Jensen, Colby

2015-03-01

Accurate modeling capability of thermal conductivity of tristructural-isotropic (TRISO) fuel compacts is important to fuel performance modeling and safety of Generation IV reactors. To date, the effective thermal conductivity (ETC) of tristructural-isotropic (TRISO) fuel compacts has not been measured directly. The composite fuel is a complicated structure comprised of layered particles in a graphite matrix. In this work, finite element modeling is used to validate an analytic ETC model for application to the composite fuel material for particle-volume fractions up to 40%. The effect of each individual layer of a TRISO particle is analyzed showing that the overall ETC ofmore » the compact is most sensitive to the outer layer constituent. In conjunction with the modeling results, the thermal conductivity of matrix-graphite compacts and the ETC of surrogate TRISO fuel compacts have been successfully measured using a previously developed measurement system. The ETC of the surrogate fuel compacts varies between 50 and 30 W m -1 K -1 over a temperature range of 50-600°C. As a result of the numerical modeling and experimental measurements of the fuel compacts, a new model and approach for analyzing the effect of compact constituent materials on ETC is proposed that can estimate the fuel compact ETC with approximately 15-20% more accuracy than the old method. Using the ETC model with measured thermal conductivity of the graphite matrix-only material indicate that, in the composite form, the matrix material has a much greater thermal conductivity, which is attributed to the high anisotropy of graphite thermal conductivity. Therefore, simpler measurements of individual TRISO compact constituents combined with an analytic ETC model, will not provide accurate predictions of overall ETC of the compacts emphasizing the need for measurements of composite, surrogate compacts.« less

Electrodes Based on Carbon Aerogels Partially Graphitized by Doping with Transition Metals for Oxygen Reduction Reaction

PubMed Central

Abdelwahab, Abdalla; Castelo-Quibén, Jesica; Vivo-Vilches, José F.; Pérez-Cadenas, María; Maldonado-Hódar, Francisco J.

2018-01-01

A series of carbon aerogels doped with iron, cobalt and nickel have been prepared. Metal nanoparticles very well dispersed into the carbon matrix catalyze the formation of graphitic clusters around them. Samples with different Ni content are obtained to test the influence of the metal loading. All aerogels have been characterized to analyze their textural properties, surface chemistry and crystal structures. These metal-doped aerogels have a very well-developed porosity, making their mesoporosity remarkable. Ni-doped aerogels are the ones with the largest surface area and the smallest graphitization. They also present larger mesopore volumes than Co- and Fe-doped aerogels. These materials are tested as electro-catalysts for the oxygen reduction reaction. Results show a clear and strong influence of the carbonaceous structure on the whole electro-catalytic behavior of the aerogels. Regarding the type of metal doping, aerogel doped with Co is the most active one, followed by Ni- and Fe-doped aerogels, respectively. As the Ni content is larger, the kinetic current densities increase. Comparatively, among the different doping metals, the results obtained with Ni are especially remarkable. PMID:29690602

Orientation-free and differentially pumped addition of a low-flux reactive gas beam to a surface analysis system.

PubMed

Harthcock, Colin; Jahanbekam, Abdolreza; Eskelsen, Jeremy R; Lee, David Y

2016-11-01

We describe an example of a piecewise gas chamber that can be customized to incorporate a low flux of gas-phase radicals with an existing surface analysis chamber for in situ and stepwise gas-surface interaction experiments without any constraint in orientation. The piecewise nature of this gas chamber provides complete angular freedom and easy alignment and does not require any modification of the existing surface analysis chamber. In addition, the entire gas-surface system is readily differentially pumped with the surface chamber kept under ultra-high-vacuum during the gas-surface measurements. This new design also allows not only straightforward reconstruction to accommodate the orientation of different surface chambers but also for the addition of other desired features, such as an additional pump to the current configuration. Stepwise interaction between atomic oxygen and a highly ordered pyrolytic graphite surface was chosen to test the effectiveness of this design, and the site-dependent O-atom chemisorption and clustering on the graphite surface were resolved by a scanning tunneling microscope in the nm-scale. X-ray photoelectron spectroscopy was used to further confirm the identity of the chemisorbed species on the graphite surface as oxygen.

Simulating the formation of carbon-rich molecules on an idealized graphitic surface

NASA Astrophysics Data System (ADS)

Marshall, David W.; Sadeghpour, H. R.

2016-01-01

There is accumulating evidence for the presence of complex molecules, including carbon-bearing and organic molecules, in the interstellar medium. Much of this evidence comes to us from studies of chemical composition, photo- and mass spectroscopy in cometary, meteoritic and asteroid samples, indicating a need to better understand the surface chemistry of astrophysical objects. There is also considerable interest in the origins of life-forming and life-sustaining molecules on the Earth. Here, we perform reactive molecular dynamics simulations to probe the formation of carbon-rich molecules and clusters on carbonaceous surfaces resembling dust grains and meteoroids. Our results show that large chains form on graphitic surfaces at low temperatures (100-500 K) and smaller fullerene-like molecules form at higher temperatures (2000-3000 K). The formation is faster on the surface than in the gas at low temperatures but slower at high temperatures as surface interactions prevent small clusters from coagulation. We find that for efficient formation of molecular complexity, mobility about the surface is important and helps to build larger carbon chains on the surface than in the gas phase at low temperatures. Finally, we show that the temperature of the surface strongly determines what kind of structures forms and that low turbulent environments are needed for efficient formation.

Failure Predictions for VHTR Core Components using a Probabilistic Contiuum Damage Mechanics Model

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

Fok, Alex

2013-10-30

The proposed work addresses the key research need for the development of constitutive models and overall failure models for graphite and high temperature structural materials, with the long-term goal being to maximize the design life of the Next Generation Nuclear Plant (NGNP). To this end, the capability of a Continuum Damage Mechanics (CDM) model, which has been used successfully for modeling fracture of virgin graphite, will be extended as a predictive and design tool for the core components of the very high- temperature reactor (VHTR). Specifically, irradiation and environmental effects pertinent to the VHTR will be incorporated into the modelmore » to allow fracture of graphite and ceramic components under in-reactor conditions to be modeled explicitly using the finite element method. The model uses a combined stress-based and fracture mechanics-based failure criterion, so it can simulate both the initiation and propagation of cracks. Modern imaging techniques, such as x-ray computed tomography and digital image correlation, will be used during material testing to help define the baseline material damage parameters. Monte Carlo analysis will be performed to address inherent variations in material properties, the aim being to reduce the arbitrariness and uncertainties associated with the current statistical approach. The results can potentially contribute to the current development of American Society of Mechanical Engineers (ASME) codes for the design and construction of VHTR core components.« less

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

Schuetrumpf, Bastian; Zhang, Chunli; Nazarewicz, Witold

Nuclear density functional theory is the tool of choice in describing properties of complex nuclei and intricate phases of bulk nucleonic matter. It is a microscopic approach based on an energy density functional representing the nuclear interaction. An attractive feature of nuclear DFT is that it can be applied to both finite nuclei and pasta phases appearing in the inner crust of neutron stars. While nuclear pasta clusters in a neutron star can be easily characterized through their density distributions, the level of clustering of nucleons in a nucleus can often be difficult to assess. To this end, we usemore » the concept of nucleon localization. We demonstrate that the localization measure provides us with fingerprints of clusters in light and heavy nuclei, including fissioning systems. Furthermore we investigate the rod-like pasta phase using twist-averaged boundary conditions, which enable calculations in finite volumes accessible by state of the art DFT solvers.« less

Exchange-driven growth.

PubMed

Ben-Naim, E; Krapivsky, P L

2003-09-01

We study a class of growth processes in which clusters evolve via exchange of particles. We show that depending on the rate of exchange there are three possibilities: (I) Growth-clusters grow indefinitely, (II) gelation-all mass is transformed into an infinite gel in a finite time, and (III) instant gelation. In regimes I and II, the cluster size distribution attains a self-similar form. The large size tail of the scaling distribution is Phi(x) approximately exp(-x(2-nu)), where nu is a homogeneity degree of the rate of exchange. At the borderline case nu=2, the distribution exhibits a generic algebraic tail, Phi(x) approximately x(-5). In regime III, the gel nucleates immediately and consumes the entire system. For finite systems, the gelation time vanishes logarithmically, T approximately [lnN](-(nu-2)), in the large system size limit N--> infinity. The theory is applied to coarsening in the infinite range Ising-Kawasaki model and in electrostatically driven granular layers.

Micro-foundation using percolation theory of the finite time singular behavior of the crash hazard rate in a class of rational expectation bubbles

NASA Astrophysics Data System (ADS)

Seyrich, Maximilian; Sornette, Didier

2016-04-01

We present a plausible micro-founded model for the previously postulated power law finite time singular form of the crash hazard rate in the Johansen-Ledoit-Sornette (JLS) model of rational expectation bubbles. The model is based on a percolation picture of the network of traders and the concept that clusters of connected traders share the same opinion. The key ingredient is the notion that a shift of position from buyer to seller of a sufficiently large group of traders can trigger a crash. This provides a formula to estimate the crash hazard rate by summation over percolation clusters above a minimum size of a power sa (with a>1) of the cluster sizes s, similarly to a generalized percolation susceptibility. The power sa of cluster sizes emerges from the super-linear dependence of group activity as a function of group size, previously documented in the literature. The crash hazard rate exhibits explosive finite time singular behaviors when the control parameter (fraction of occupied sites, or density of traders in the network) approaches the percolation threshold pc. Realistic dynamics are generated by modeling the density of traders on the percolation network by an Ornstein-Uhlenbeck process, whose memory controls the spontaneous excursion of the control parameter close to the critical region of bubble formation. Our numerical simulations recover the main stylized properties of the JLS model with intermittent explosive super-exponential bubbles interrupted by crashes.

Density profiles of a self-gravitating lattice gas in one, two, and three dimensions

NASA Astrophysics Data System (ADS)

Bakhti, Benaoumeur; Boukari, Divana; Karbach, Michael; Maass, Philipp; Müller, Gerhard

2018-04-01

We consider a lattice gas in spaces of dimensionality D =1 ,2 ,3 . The particles are subject to a hardcore exclusion interaction and an attractive pair interaction that satisfies Gauss' law as do Newtonian gravity in D =3 , a logarithmic potential in D =2 , and a distance-independent force in D =1 . Under mild additional assumptions regarding symmetry and fluctuations we investigate equilibrium states of self-gravitating material clusters, in particular radial density profiles for closed and open systems. We present exact analytic results in several instances and high-precision numerical data in others. The density profile of a cluster with finite mass is found to exhibit exponential decay in D =1 and power-law decay in D =2 with temperature-dependent exponents in both cases. In D =2 the gas evaporates in a continuous transition at a nonzero critical temperature. We describe clusters of infinite mass in D =3 with a density profile consisting of three layers (core, shell, halo) and an algebraic large-distance asymptotic decay. In D =3 a cluster of finite mass can be stabilized at T >0 via confinement to a sphere of finite radius. In some parameter regime, the gas thus enclosed undergoes a discontinuous transition between distinct density profiles. For the free energy needed to identify the equilibrium state we introduce a construction of gravitational self-energy that works in all D for the lattice gas. The decay rate of the density profile of an open cluster is shown to transform via a stretched exponential for 1

Measurement-based quantum computation on two-body interacting qubits with adiabatic evolution.

PubMed

Kyaw, Thi Ha; Li, Ying; Kwek, Leong-Chuan

2014-10-31

A cluster state cannot be a unique ground state of a two-body interacting Hamiltonian. Here, we propose the creation of a cluster state of logical qubits encoded in spin-1/2 particles by adiabatically weakening two-body interactions. The proposal is valid for any spatial dimensional cluster states. Errors induced by thermal fluctuations and adiabatic evolution within finite time can be eliminated ensuring fault-tolerant quantum computing schemes.

Random phase approximation and cluster mean field studies of hard core Bose Hubbard model

NASA Astrophysics Data System (ADS)

Alavani, Bhargav K.; Gaude, Pallavi P.; Pai, Ramesh V.

2018-04-01

We investigate zero temperature and finite temperature properties of the Bose Hubbard Model in the hard core limit using Random Phase Approximation (RPA) and Cluster Mean Field Theory (CMFT). We show that our RPA calculations are able to capture quantum and thermal fluctuations significantly better than CMFT.

Mean-cluster approach indicates cell sorting time scales are determined by collective dynamics

NASA Astrophysics Data System (ADS)

Beatrici, Carine P.; de Almeida, Rita M. C.; Brunnet, Leonardo G.

2017-03-01

Cell migration is essential to cell segregation, playing a central role in tissue formation, wound healing, and tumor evolution. Considering random mixtures of two cell types, it is still not clear which cell characteristics define clustering time scales. The mass of diffusing clusters merging with one another is expected to grow as td /d +2 when the diffusion constant scales with the inverse of the cluster mass. Cell segregation experiments deviate from that behavior. Explanations for that could arise from specific microscopic mechanisms or from collective effects, typical of active matter. Here we consider a power law connecting diffusion constant and cluster mass to propose an analytic approach to model cell segregation where we explicitly take into account finite-size corrections. The results are compared with active matter model simulations and experiments available in the literature. To investigate the role played by different mechanisms we considered different hypotheses describing cell-cell interaction: differential adhesion hypothesis and different velocities hypothesis. We find that the simulations yield normal diffusion for long time intervals. Analytic and simulation results show that (i) cluster evolution clearly tends to a scaling regime, disrupted only at finite-size limits; (ii) cluster diffusion is greatly enhanced by cell collective behavior, such that for high enough tendency to follow the neighbors, cluster diffusion may become independent of cluster size; (iii) the scaling exponent for cluster growth depends only on the mass-diffusion relation, not on the detailed local segregation mechanism. These results apply for active matter systems in general and, in particular, the mechanisms found underlying the increase in cell sorting speed certainly have deep implications in biological evolution as a selection mechanism.

Carbon solids in oxygen-deficient explosives (LA-UR-13-21151)

NASA Astrophysics Data System (ADS)

Peery, Travis

2013-06-01

The phase behavior of excess carbon in oxygen-deficient explosives has a significant effect on detonation properties and product equations of state. Mixtures of fuel oil in ammonium nitrate (ANFO) above a stoichiometric ratio demonstrate that even small amounts of graphite, on the order of 5% by mole fraction, can substantially alter the Chapman-Jouget (CJ) state properties, a central ingredient in modeling the products equation of state. Similar effects can be seen for Composition B, which borders the carbon phase boundary between graphite and diamond. Nano-diamond formation adds complexity to the product modeling because of surface adsorption effects. I will discuss these carbon phase issues in our equation of state modeling of detonation products, including our statistical mechanics description of carbon clustering and surface chemistry to properly treat solid carbon formation. This work is supported by the Advanced Simulation and Computing Program, under the NNSA.

Chemometric study of Maya Blue from the voltammetry of microparticles approach.

PubMed

Doménech, Antonio; Doménech-Carbó, María Teresa; de Agredos Pascual, María Luisa Vazquez

2007-04-01

The use of the voltammetry of microparticles at paraffin-impregnated graphite electrodes allows for the characterization of different types of Maya Blue (MB) used in wall paintings from different archaeological sites of Campeche and YucatAn (Mexico). Using voltammetric signals for electron-transfer processes involving palygorskite-associated indigo and quinone functionalities generated by scratching the graphite surface, voltammograms provide information on the composition and texture of MB samples. Application of hierarchical cluster analysis and other chemometric methods allows us to characterize samples from different archaeological sites and to distinguish between samples proceeding from different chronological periods. Comparison between microscopic, spectroscopic, and electrochemical examination of genuine MB samples and synthetic specimens indicated that the preparation procedure of the pigment evolved in time via successive steps anticipating modern synthetic procedures, namely, hybrid organic-inorganic synthesis, temperature control of chemical reactivity, and template-like synthesis.

Three-Dimensional Modeling of Fracture Clusters in Geothermal Reservoirs

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

Ghassemi, Ahmad

The objective of this is to develop a 3-D numerical model for simulating mode I, II, and III (tensile, shear, and out-of-plane) propagation of multiple fractures and fracture clusters to accurately predict geothermal reservoir stimulation using the virtual multi-dimensional internal bond (VMIB). Effective development of enhanced geothermal systems can significantly benefit from improved modeling of hydraulic fracturing. In geothermal reservoirs, where the temperature can reach or exceed 350oC, thermal and poro-mechanical processes play an important role in fracture initiation and propagation. In this project hydraulic fracturing of hot subsurface rock mass will be numerically modeled by extending the virtual multiplemore » internal bond theory and implementing it in a finite element code, WARP3D, a three-dimensional finite element code for solid mechanics. The new constitutive model along with the poro-thermoelastic computational algorithms will allow modeling the initiation and propagation of clusters of fractures, and extension of pre-existing fractures. The work will enable the industry to realistically model stimulation of geothermal reservoirs. The project addresses the Geothermal Technologies Office objective of accurately predicting geothermal reservoir stimulation (GTO technology priority item). The project goal will be attained by: (i) development of the VMIB method for application to 3D analysis of fracture clusters; (ii) development of poro- and thermoelastic material sub-routines for use in 3D finite element code WARP3D; (iii) implementation of VMIB and the new material routines in WARP3D to enable simulation of clusters of fractures while accounting for the effects of the pore pressure, thermal stress and inelastic deformation; (iv) simulation of 3D fracture propagation and coalescence and formation of clusters, and comparison with laboratory compression tests; and (v) application of the model to interpretation of injection experiments (planned by our industrial partner) with reference to the impact of the variations in injection rate and temperature, rock properties, and in-situ stress.« less

Probing C60

NASA Astrophysics Data System (ADS)

Curl, Robert F.; Smalley, Richard E.

1988-11-01

Experiments involving the laser vaporization of graphite have indicated that one particular cluster of carbon, C60, is preeminently stable; this special stability may be evidence that C60 can readily take the form of a hollow truncated icosahedron (a sort of molecular soccerball). If true, this structure for C60 would be the first example of a spherical aromatic molecule. In fact, because of symmetry properties unique to the number 60, it may be the most perfectly spherical, edgeless molecule possible. Its rapid formation in condensing carbon vapors and its extreme chemical and photophysical stability may have far-reaching implications in a number of areas, particularly combustion science and astrophysics. For these reasons C60 and other clusters of carbon have continued to be the subject of intense research. This article provides a short review of the many new experimental probes of the properties of C60 and related carbon clusters.

Commentary on Steinley and Brusco (2011): Recommendations and Cautions

ERIC Educational Resources Information Center

McLachlan, Geoffrey J.

2011-01-01

I discuss the recommendations and cautions in Steinley and Brusco's (2011) article on the use of finite models to cluster a data set. In their article, much use is made of comparison with the "K"-means procedure. As noted by researchers for over 30 years, the "K"-means procedure can be viewed as a special case of finite mixture modeling in which…

Volume dependence of N-body bound states

NASA Astrophysics Data System (ADS)

König, Sebastian; Lee, Dean

2018-04-01

We derive the finite-volume correction to the binding energy of an N-particle quantum bound state in a cubic periodic volume. Our results are applicable to bound states with arbitrary composition and total angular momentum, and in any number of spatial dimensions. The only assumptions are that the interactions have finite range. The finite-volume correction is a sum of contributions from all possible breakup channels. In the case where the separation is into two bound clusters, our result gives the leading volume dependence up to exponentially small corrections. If the separation is into three or more clusters, there is a power-law factor that is beyond the scope of this work, however our result again determines the leading exponential dependence. We also present two independent methods that use finite-volume data to determine asymptotic normalization coefficients. The coefficients are useful to determine low-energy capture reactions into weakly bound states relevant for nuclear astrophysics. Using the techniques introduced here, one can even extract the infinite-volume energy limit using data from a single-volume calculation. The derived relations are tested using several exactly solvable systems and numerical examples. We anticipate immediate applications to lattice calculations of hadronic, nuclear, and cold atomic systems.

Application of the finite-field coupled-cluster method to calculate molecular properties relevant to electron electric-dipole-moment searches

NASA Astrophysics Data System (ADS)

Abe, M.; Prasannaa, V. S.; Das, B. P.

2018-03-01

Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (e EDM ), in order to explore physics beyond the standard model, requires a synergy of molecular experiment and theory. Recent advances in experiment in this field have motivated us to implement a finite-field coupled-cluster (FFCC) approach. This work has distinct advantages over the theoretical methods that we had used earlier in the analysis of e EDM searches. We used relativistic FFCC to calculate molecular properties of interest to e EDM experiments, that is, the effective electric field (Eeff) and the permanent electric dipole moment (PDM). We theoretically determine these quantities for the alkaline-earth monofluorides (AEMs), the mercury monohalides (Hg X ), and PbF. The latter two systems, as well as BaF from the AEMs, are of interest to e EDM searches. We also report the calculation of the properties using a relativistic finite-field coupled-cluster approach with single, double, and partial triples' excitations, which is considered to be the gold standard of electronic structure calculations. We also present a detailed error estimate, including errors that stem from our choice of basis sets, and higher-order correlation effects.

Molecular dynamics simulations of diffusion and clustering along critical isotherms of medium-chain n-alkanes.

PubMed

Mutoru, J W; Smith, W; O'Hern, C S; Firoozabadi, A

2013-01-14

Understanding the transport properties of molecular fluids in the critical region is important for a number of industrial and natural systems. In the literature, there are conflicting reports on the behavior of the self diffusion coefficient D(s) in the critical region of single-component molecular systems. For example, D(s) could decrease to zero, reach a maximum, or remain unchanged and finite at the critical point. Moreover, there is no molecular-scale understanding of the behavior of diffusion coefficients in molecular fluids in the critical regime. We perform extensive molecular dynamics simulations in the critical region of single-component fluids composed of medium-chain n-alkanes-n-pentane, n-decane, and n-dodecane-that interact via anisotropic united-atom potentials. For each system, we calculate D(s), and average molecular cluster sizes κ(cl) and numbers N(cl) at various cluster lifetimes τ, as a function of density ρ in the range 0.2ρ(c) ≤ ρ ≤ 2.0ρ(c) at the critical temperature T(c). We find that D(s) decreases with increasing ρ but remains finite at the critical point. Moreover, for any given τ < 1.2 × 10(-12) s, κ(cl) increases with increasing ρ but is also finite at the critical point.

Slider thickness promotes lubricity: from 2D islands to 3D clusters

NASA Astrophysics Data System (ADS)

Guerra, Roberto; Tosatti, Erio; Vanossi, Andrea

2016-05-01

The sliding of three-dimensional clusters and two-dimensional islands adsorbed on crystal surfaces represents an important test case to understand friction. Even for the same material, monoatomic islands and thick clusters will not as a rule exhibit the same friction, but specific differences have not been explored. Through realistic molecular dynamics simulations of the static friction of gold on graphite, an experimentally relevant system, we uncover as a function of gold thickness a progressive drop of static friction from monolayer islands, that are easily pinned, towards clusters, that slide more readily. The main ingredient contributing to this thickness-induced lubricity appears to be the increased effective rigidity of the atomic contact, acting to reduce the cluster interdigitation with the substrate. A second element which plays a role is the lateral contact size, which can accommodate the solitons typical of the incommensurate interface only above a critical contact diameter, which is larger for monolayer islands than for thick clusters. The two effects concur to make clusters more lubric than islands, and large sizes more lubric than smaller ones. These conclusions are expected to be of broader applicability in diverse nanotribological systems, where the role played by static, and dynamic, friction is generally quite important.

Slider thickness promotes lubricity: from 2D islands to 3D clusters.

PubMed

Guerra, Roberto; Tosatti, Erio; Vanossi, Andrea

2016-06-07

The sliding of three-dimensional clusters and two-dimensional islands adsorbed on crystal surfaces represents an important test case to understand friction. Even for the same material, monoatomic islands and thick clusters will not as a rule exhibit the same friction, but specific differences have not been explored. Through realistic molecular dynamics simulations of the static friction of gold on graphite, an experimentally relevant system, we uncover as a function of gold thickness a progressive drop of static friction from monolayer islands, that are easily pinned, towards clusters, that slide more readily. The main ingredient contributing to this thickness-induced lubricity appears to be the increased effective rigidity of the atomic contact, acting to reduce the cluster interdigitation with the substrate. A second element which plays a role is the lateral contact size, which can accommodate the solitons typical of the incommensurate interface only above a critical contact diameter, which is larger for monolayer islands than for thick clusters. The two effects concur to make clusters more lubric than islands, and large sizes more lubric than smaller ones. These conclusions are expected to be of broader applicability in diverse nanotribological systems, where the role played by static, and dynamic, friction is generally quite important.

Sudden spreading of infections in an epidemic model with a finite seed fraction

NASA Astrophysics Data System (ADS)

Hasegawa, Takehisa; Nemoto, Koji

2018-03-01

We study a simple case of the susceptible-weakened-infected-removed model in regular random graphs in a situation where an epidemic starts from a finite fraction of initially infected nodes (seeds). Previous studies have shown that, assuming a single seed, this model exhibits a kind of discontinuous transition at a certain value of infection rate. Performing Monte Carlo simulations and evaluating approximate master equations, we find that the present model has two critical infection rates for the case with a finite seed fraction. At the first critical rate the system shows a percolation transition of clusters composed of removed nodes, and at the second critical rate, which is larger than the first one, a giant cluster suddenly grows and the order parameter jumps even though it has been already rising. Numerical evaluation of the master equations shows that such sudden epidemic spreading does occur if the degree of the underlying network is large and the seed fraction is small.

Mixture modelling for cluster analysis.

PubMed

McLachlan, G J; Chang, S U

2004-10-01

Cluster analysis via a finite mixture model approach is considered. With this approach to clustering, the data can be partitioned into a specified number of clusters g by first fitting a mixture model with g components. An outright clustering of the data is then obtained by assigning an observation to the component to which it has the highest estimated posterior probability of belonging; that is, the ith cluster consists of those observations assigned to the ith component (i = 1,..., g). The focus is on the use of mixtures of normal components for the cluster analysis of data that can be regarded as being continuous. But attention is also given to the case of mixed data, where the observations consist of both continuous and discrete variables.

Polynomial-Time Approximation Algorithm for the Problem of Cardinality-Weighted Variance-Based 2-Clustering with a Given Center

NASA Astrophysics Data System (ADS)

Kel'manov, A. V.; Motkova, A. V.

2018-01-01

A strongly NP-hard problem of partitioning a finite set of points of Euclidean space into two clusters is considered. The solution criterion is the minimum of the sum (over both clusters) of weighted sums of squared distances from the elements of each cluster to its geometric center. The weights of the sums are equal to the cardinalities of the desired clusters. The center of one cluster is given as input, while the center of the other is unknown and is determined as the point of space equal to the mean of the cluster elements. A version of the problem is analyzed in which the cardinalities of the clusters are given as input. A polynomial-time 2-approximation algorithm for solving the problem is constructed.

A Preliminary Comparison of the Effectiveness of Cluster Analysis Weighting Procedures for Within-Group Covariance Structure.

ERIC Educational Resources Information Center

Donoghue, John R.

A Monte Carlo study compared the usefulness of six variable weighting methods for cluster analysis. Data were 100 bivariate observations from 2 subgroups, generated according to a finite normal mixture model. Subgroup size, within-group correlation, within-group variance, and distance between subgroup centroids were manipulated. Of the clustering…

Design, fabrication and test of graphite/polyimide composite joints and attachments for advanced aerospace vehicles

NASA Technical Reports Server (NTRS)

Barclay, D. L.

1980-01-01

Results of an experimental program to develop several types of graphite/polyimide (GR/PI) bonded and bolted joints for lightly loaded flight components for advanced space transportation systems and high speed aircraft are presented. Tasks accomplished include: a literature survey; design of static discriminator specimens; design allowables testing; fabrication of test panels and specimens; small specimen testing; and standard joint testing. Detail designs of static discriminator specimens for each of the four major attachment types are presented. Test results are given for the following: (1) transverse tension of Celion 3000/PMR-15 laminate; (2) net tension of a laminate for both a loaded and unloaded bolt hole; (3) comparative testing of bonded and co-cured doublers along with pull-off tests of single and double bonded angles; (4) single lap shear tests, transverse tension and coefficient of thermal expansion tests of A7F (LARC-13 amide-imide modified) adhesive; and (5) tension tests of standard single lap, double lap, and symmetric step lap bonded joints. Also, included are results of a finite element analysis of a single lap bonded composite joint.

Test and analysis of a stitched RFI graphite-epoxy panel with a fuel access door

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.; Waters, W. Allen, Jr.

1994-01-01

A stitched RFI graphite-epoxy panel with a fuel access door was analyzed using a finite element analysis and loaded to failure in compression. The panel was initially 56-inches long and 36.75-inches wide and the oval access door was 18-inches long and 15-inches wide. The panel was impact damaged with impact energy of 100 ft-lb prior to compressive loading; however, no impact damage was detectable visually or by A-scan. The panel carried a failure load of 695,000 Ib and global failure strain of .00494 in/in. Analysis indicated the panel would fail due to collapse at a load of 688,100 Ib. The test data indicate that the maximum strain in a region near the access door was .0096 in/in and analysis indicates a local surface strain of .010 in/in at the panel's failure load. The panel did not fail through the impact damage, but instead failed through bolt holes for attachment of the access door in a region of high strain.

Wetting Transition of Water

NASA Astrophysics Data System (ADS)

Friedman, Serah; Khalil, Matt; Taborek, Peter

2013-03-01

Pure liquid water does not wet most solid surfaces. Liquid water on these surfaces beads up and forms droplets with a finite contact angle. General thermodynamic principles suggest that as the temperature approaches the critical point, the contact angle should go to zero, marking the wetting transition. We have made an optical cell which can operate near the critical point of water (Tc =373C, Pc =217 atm) to study this phenomenon on sapphire, graphite and silicon. We have used two methods to measure the wetting temperature of water on these surfaces. Firstly, we studied a single droplet on a horizontal surface and optically measured the change in contact angle as a function of increasing temperature. Second, we studied the condensation of droplets on a vertical plate as a function of temperature. As the temperature approached the wetting temperature in both cases, the droplets spread and eventually form a smooth film along the surface of the plate. The wetting temperature on sapphire is near 240C and is considerably higher on graphite. Our observed values of Tw are significantly higher than the predictions made by the sharp-kink approximation and recent molecular dynamics simulations.

Scale effects on the transverse tensile strength of graphite epoxy composites

NASA Technical Reports Server (NTRS)

Obrien, T. Kevin; Salpekar, Satish A.

1992-01-01

The influence of material volume on the transverse tensile strength of AS4/3501-6 graphite epoxy composites was investigated. Tensile tests of 90 degree laminates with 3 different widths and 5 different thicknesses were conducted. A finite element analysis was performed to determine the influence of the grip on the stress distribution in the coupons and explain the tendency for the distribution of failure locations to be skewed toward the grip. Specimens were instrumented with strain gages and extensometers to insure good alignment and to measure failure strains. Data indicated that matrix dominated strength properties varied with the volume of material that was stressed, with the strength decreasing as volume increased. Transverse strength data were used in a volumetric scaling law based on Weibull statistics to predict the strength of 90 degree laminates loaded in three point bending. Comparisons were also made between transverse strength measurements and out-of-plane interlaminar tensile strength measurements from curved beam bending tests. The significance of observed scale effects on the use of tests for material screening, quality assurance, and design allowables is discussed.

Interlaminar shear fracture toughness and fatigue thresholds for composite materials

NASA Technical Reports Server (NTRS)

Obrien, T. Kevin; Murri, Gretchen B.; Salpekar, Satish A.

1987-01-01

Static and cyclic end notched flexure tests were conducted on a graphite epoxy, a glass epoxy, and graphite thermoplastic to determine their interlaminar shear fracture toughness and fatigue thresholds for delamination in terms of limiting values of the mode II strain energy release rate, G-II, for delamination growth. The influence of precracking and data reduction schemes are discussed. Finite element analysis indicated that the beam theory calculation for G-II with the transverse shear contribution included was reasonably accurate over the entire range of crack lengths. Cyclic loading significantly reduced the critical G-II for delamination. A threshold value of the maximum cyclic G-II below which no delamination occurred after one million cycles was identified for each material. Also, residual static toughness tests were conducted on glass epoxy specimens that had undergone one million cycles without delamination. A linear mixed-mode delamination criteria was used to characterize the static toughness of several composite materials; however, a total G threshold criterion appears to characterize the fatigue delamination durability of composite materials with a wide range of static toughness.

The Mechanical Properties of Energetically Deposited Non-Crystalline Carbon Thin Films

DOE PAGES

Kracica, M.; Kocer, C.; Lau, D.; ...

2015-11-05

The mechanical behaviour of carbon films prepared with a variety of densities and microstructures was investigated using nanoindentation. Deposition energies between 25 and 600 eV and temperatures in the range 25-600 °C were used. Films prepared at low temperatures and moderate energy were amorphous with a high density. Finite element methods were used to model the stress fields, reproduce the indentation behaviour and evaluate elastic properties. Young s moduli up to 670 GPa and a low Poisson s ratio of ~ 0.17 were found, comparable to polycrystalline cubic boron nitride, one of the hardest materials known. Films with the samemore » density did not always show the same behaviour, emphasising the role of microstructure in determining mechanical response. Extended graphite- like regions within the films grown at high energy and high temperature observed in transmission electron microscopy caused plastic deformation and failure to recover after a complete indentation cycle. At low deposition energies, the graphite-like regions were smaller in size causing plastic deformation but with complete recovery after indentation.« less

Ply-level failure analysis of a graphite/epoxy laminate under bearing-bypass loading

NASA Technical Reports Server (NTRS)

Naik, R. A.; Crews, J. H., Jr.

1988-01-01

A combined experimental and analytical study was conducted to investigate and predict the failure modes of a graphite/epoxy laminate subjected to combined bearing and bypass loading. Tests were conducted in a test machine that allowed the bearing-bypass load ratio to be controlled while a single-fastener coupon was loaded to failure in either tension or compression. Onset and ultimate failure modes and strengths were determined for each test case. The damage-onset modes were studied in detail by sectioning and micrographing the damaged specimens. A two-dimensional, finite-element analysis was conducted to determine lamina strains around the bolt hole. Damage onset consisted of matrix cracks, delamination, and fiber failures. Stiffness loss appeared to be caused by fiber failures rather than by matrix cracking and delamination. An unusual offset-compression mode was observed for compressive bearing-bypass laoding in which the specimen failed across its width along a line offset from the hole. The computed lamina strains in the fiber direction were used in a combined analytical and experimental approach to predict bearing-bypass diagrams for damage onset from a few simple tests.

Ply-level failure analysis of a graphite/epoxy laminate under bearing-bypass loading

NASA Technical Reports Server (NTRS)

Naik, R. A.; Crews, J. H., Jr.

1990-01-01

A combined experimental and analytical study was conducted to investigate and predict the failure modes of a graphite/epoxy laminate subjected to combined bearing and bypass loading. Tests were conducted in a test machine that allowed the bearing-bypass load ratio to be controlled while a single-fastener coupon was loaded to failure in either tension or compression. Onset and ultimate failure modes and strengths were determined for each test case. The damage-onset modes were studied in detail by sectioning and micrographing the damaged specimens. A two-dimensional, finite-element analysis was conducted to determine lamina strains around the bolt hole. Damage onset consisted of matrix cracks, delamination, and fiber failures. Stiffness loss appeared to be caused by fiber failures rather than by matrix cracking and delamination. An unusual offset-compression mode was observed for compressive bearing-bypass loading in which the specimen failed across its width along a line offset from the hole. The computed lamina strains in the fiber direction were used in a combined analytical and experimental approach to predict bearing-bypass diagrams for damage onset from a few simple tests.

Modeling carbonaceous particle formation in an argon graphite cathode dc discharge

NASA Astrophysics Data System (ADS)

Michau, A.; Lombardi, G.; Colina Delacqua, L.; Redolfi, M.; Arnas, C.; Bonnin, X.; Hassouni, K.

2010-12-01

We develop a model for the nucleation, growth and transport of carbonaceous dust particles in a non-reactive gas dc discharge where the carbon source is provided by cathode sputtering. We consider only the initial phase of the discharge when the dust charge density remains small with respect to the electron density. We find that an electric field reversal at the entrance of the negative glow region promotes trapping of negatively charged clusters and dust particles, confining them for long times in the plasma and favoring molecular growth. An essential ingredient for this process is electron attachment, which negatively charges the initially neutral clusters. We perform sensitivity studies on several number parameters: size of the largest molecular edifice, sticking coefficient, etc.

Group electronegativity for prediction of materials hardness.

PubMed

Li, Keyan; Yang, Peng; Niu, Lingxiao; Xue, Dongfeng

2012-06-28

We have developed a method to predict the hardness of materials containing ultrastrong anionic polyhedra, dense atomic clusters, and layers stacked through van der Waals bonds on the basis of group electronegativity. By considering these polyhedra, clusters, and layers as groups that behave as rigid unities like superatoms bonding to other atoms or groups, the hardness values of materials such as oxysalts, T-carbon, and graphite were quantitatively calculated, and the results are consistent with the available experiments. We found that the hardness of materials containing these artificial groups is determined by the bonds between the groups and other atoms or groups, rather than by the weakest bonds. This work sheds light on the nature of materials hardness and the design of novel inorganic crystal materials.

Finite Size Effects in Submonolayer Catalysts Investigated by CO Electrosorption on PtsML/Pd(100).

PubMed

Yuan, Qiuyi; Doan, Hieu A; Grabow, Lars C; Brankovic, Stanko R

2017-10-04

A combination of scanning tunneling microscopy, subtractively normalized interfacial Fourier transform infrared spectroscopy (SNIFTIRS), and density functional theory (DFT) is used to quantify the local strain in 2D Pt clusters on the 100 facet of Pd and its effect on CO chemisorption. Good agreement between SNIFTIRS experiments and DFT simulations provide strong evidence that, in the absence of coherent strain between Pt and Pd, finite size effects introduce local compressive strain, which alters the chemisorption properties of the surface. Though this effect has been widely neglected in prior studies, our results suggest that accurate control over cluster sizes in submonolayer catalyst systems can be an effective approach to fine-tune their catalytic properties.

Electrical and optical properties of carbon films

NASA Astrophysics Data System (ADS)

Kulkarni, Pranita

Carbon and carbon-based materials, including graphite, diamond, and other thin-film structures, are being intensively researched for a wide range of electronic applications. A variety of graphitic, nano-structured carbon materials can be synthesized that have current or potential applications as thin-film transistors, photovoltaics, and supercapacitors. Diamond has been pursued for many years for electronics that can be used in extreme conditions, such as high temperature, high power, high frequency, and radiation environments. In this research study, electronic properties of diamond and graphitic films with crystallite or grain sizes in the nanometer range were investigated. The nano-structured graphitic carbon films were grown using a previously developed method based on the pyrolysis of poly(acrylonitrile) and poly(n-butyl acrylate) block copolymers (PAN-b-PBA). An important characteristic of these films is that the morphology (and therefore other properties) can be controlled by the compositions and processing of the starting block copolymers. Spherical, cylindrical, lamellar, and branched morphologies have been fabricated. The crystallite sizes, optical absorption, and morphology of PAN-b-PBA (containing 17.8% PAN) pyrolyzed between 400 and 600°C were determined and were compared to those derived by pyrolysis of PAN homopolymers at the same temperatures. Hall-effect measurements on pyrolyzed PAN-b-PBA films with spherical, cylindrical, and branched morphologies and homopolymer PAN films pyrolyzed at the same temperatures revealed that both PAN-b-PBA with different morphologies and PAN homopolymer-derived films had n-type conductivity; differences in carrier concentration and mobility values were correlated with the morphological differences of the films. Optical absorption measurements in the ultra-violet through visible wavelength range were also conducted on these films; measurements of the pseudo band-gaps and absorption coefficients were correlated with the morphology and graphitic cluster sizes that were obtained from Raman scattering. To enable the development of future devices based on nanostructured carbon films, four metals (Zr, Ti, Cu, and Pt) with substantially different work functions and catalytic activity were deposited on pyrolyzed PAN-b-PBA films. All metals formed ohmic contacts to the films in the 'as-deposited' state with contact resistances of the order of 105 O. The ohmicity of all metals and the modulation of the pseudo-gap with graphitic cluster sizes were explained using the simple single-orbital tight-binding calculations for nanometer-sized graphitic clusters. Unlike most inorganic single-crystal semiconductors but commonly observed in organic or nanocrystalline materials, our modeling of resistivity-temperature measurements showed that variable-range-hopping (VRH) was the dominant current transport mechanism in the films up to room-temperature with a crossover from Mott-VRH to Efros-Skhlovskii-VRH at temperatures below 100 K. Specific contact resistivity values for all metal-copolymer (PAN-b-PBA)-derived films pyrolyzed at 600°C increased with increasing work function of the metal, suggesting that the films are n-type; this conclusion agrees with the n-type result obtained from the Hall-effect measurements. Nanocrystalline diamond (NCD) films have a variety of potential applications, including optical windows, Schottky diodes, and electron emitting surfaces for field emission displays. In this study Zr, Ti, Cu and Pt on intrinsic and lightly sulfur-doped (n-type) NCD films were characterized electrically and photoelectrically. All metals showed linear (ohmic) current-voltage characteristics in the as-deposited state. The Schottky barrier heights (phiB) at the metal-film interface were investigated using x-ray and ultra-violet photoelectron spectroscopy. The undoped NCD films exhibited a negative electron affinity and a band gap of 5.0 +/- 0.4 eV. The phiB were calculated based on this band gap measurement and the consistent indication from Hall-effect measurements that the films are n-type. The phiB values increased with metal work function for both intrinsic and S-doped films. In general accordance with the barrier height trends, the specific contact resistivity values also increased with the metal work functions. Based on the collection of electrical and photoelectrical results, an electronic band-structure model for NCD films is proposed. The model describes the bulk of the material as n-type but with p-type, inverted surfaces corresponding with strong upward band bending.

Preparation, Properties, and Structure of Hydrogenated Amorphous Carbon Films.

NASA Astrophysics Data System (ADS)

Chen, Hsiung

1990-01-01

Hydrogenated amorphous carbon films (a-C:H) have been deposited on glass, fused silica, Si, Mo, Al, and 304 stainless steel at room temperature by plasma enhanced chemical vapor deposition (PECVD). The rf glow discharge and plasma kinetics of the deposition process were investigated. Negative self-bias voltage V_{rm b} and gas pressure P were used as two major deposition parameters. The hydrogen concentration, internal stress, mass density, hardness, and thickness of the deposited films were measured. In the low energy deposition region, 0 > V_{rm b} > -100 V, soft polymerlike films with high hydrogen concentration and low density were found. Hard diamondlike films with high stress were deposited in the bias voltage range, -100 V > V _{rm b} > -1000 V. Dark graphitic films with low hydrogen concentration were grown at V_ {rm b} < -1000 V. The optical absorption of a series of a-C:H films have been measured. Optical energy gaps deduced from optical absorption data using the Tauc relation lie between 0.8 eV and 1.4 eV. Doping of a-C:H films by boron and sulfur is accompanied by an increasing number of gap states, i.e., the absorption coefficient is increased and the optical gap is reduced. The thermal stability was studied by thermal desorption spectroscopy and heat treatment at atmospheric pressure. A structural study of a-C:H films was performed using data taken on our films and from literature sources. The relation between cluster size and the intensity ratio of Raman peaks was studied. A comparison of the films as described by the graphitic cluster two-phase (GCT) model, the random covalent network (RCN) model and the all-sp ^2 defect graphite (DG) model was made. The properties and structure of a-C:H films are sensitively dependent on the preparation conditions. Correlations between the deposition conditions, structure, and properties are determined.

Three-Dimensional Imaging and Numerical Reconstruction of Graphite/Epoxy Composite Microstructure Based on Ultra-High Resolution X-Ray Computed Tomography

NASA Technical Reports Server (NTRS)

Czabaj, M. W.; Riccio, M. L.; Whitacre, W. W.

2014-01-01

A combined experimental and computational study aimed at high-resolution 3D imaging, visualization, and numerical reconstruction of fiber-reinforced polymer microstructures at the fiber length scale is presented. To this end, a sample of graphite/epoxy composite was imaged at sub-micron resolution using a 3D X-ray computed tomography microscope. Next, a novel segmentation algorithm was developed, based on concepts adopted from computer vision and multi-target tracking, to detect and estimate, with high accuracy, the position of individual fibers in a volume of the imaged composite. In the current implementation, the segmentation algorithm was based on Global Nearest Neighbor data-association architecture, a Kalman filter estimator, and several novel algorithms for virtualfiber stitching, smoothing, and overlap removal. The segmentation algorithm was used on a sub-volume of the imaged composite, detecting 508 individual fibers. The segmentation data were qualitatively compared to the tomographic data, demonstrating high accuracy of the numerical reconstruction. Moreover, the data were used to quantify a) the relative distribution of individual-fiber cross sections within the imaged sub-volume, and b) the local fiber misorientation relative to the global fiber axis. Finally, the segmentation data were converted using commercially available finite element (FE) software to generate a detailed FE mesh of the composite volume. The methodology described herein demonstrates the feasibility of realizing an FE-based, virtual-testing framework for graphite/fiber composites at the constituent level.

Improving Osteoblast Response In Vitro by a Nanostructured Thin Film with Titanium Carbide and Titanium Oxides Clustered around Graphitic Carbon.

PubMed

Longo, Giovanni; Ioannidu, Caterina Alexandra; Scotto d'Abusco, Anna; Superti, Fabiana; Misiano, Carlo; Zanoni, Robertino; Politi, Laura; Mazzola, Luca; Iosi, Francesca; Mura, Francesco; Scandurra, Roberto

2016-01-01

Recently, we introduced a new deposition method, based on Ion Plating Plasma Assisted technology, to coat titanium implants with a thin but hard nanostructured layer composed of titanium carbide and titanium oxides, clustered around graphitic carbon. The nanostructured layer has a double effect: protects the bulk titanium against the harsh conditions of biological tissues and in the same time has a stimulating action on osteoblasts. The aim of this work is to describe the biological effects of this layer on osteoblasts cultured in vitro. We demonstrate that the nanostructured layer causes an overexpression of many early genes correlated to proteins involved in bone turnover and an increase in the number of surface receptors for α3β1 integrin, talin, paxillin. Analyses at single-cell level, by scanning electron microscopy, atomic force microscopy, and single cell force spectroscopy, show how the proliferation, adhesion and spreading of cells cultured on coated titanium samples are higher than on uncoated titanium ones. Finally, the chemistry of the layer induces a better formation of blood clots and a higher number of adhered platelets, compared to the uncoated cases, and these are useful features to improve the speed of implant osseointegration. In summary, the nanostructured TiC film, due to its physical and chemical properties, can be used to protect the implants and to improve their acceptance by the bone.

Coagulation-fragmentation for a finite number of particles and application to telomere clustering in the yeast nucleus

NASA Astrophysics Data System (ADS)

Hozé, Nathanaël; Holcman, David

2012-01-01

We develop a coagulation-fragmentation model to study a system composed of a small number of stochastic objects moving in a confined domain, that can aggregate upon binding to form local clusters of arbitrary sizes. A cluster can also dissociate into two subclusters with a uniform probability. To study the statistics of clusters, we combine a Markov chain analysis with a partition number approach. Interestingly, we obtain explicit formulas for the size and the number of clusters in terms of hypergeometric functions. Finally, we apply our analysis to study the statistical physics of telomeres (ends of chromosomes) clustering in the yeast nucleus and show that the diffusion-coagulation-fragmentation process can predict the organization of telomeres.

Scattering of Lamb waves by cracks in a composite graphite fiber-reinforced epoxy plate

NASA Technical Reports Server (NTRS)

Bratton, Robert; Datta, Subhendu K.; Shah, Arvind

1990-01-01

Recent investigations of space construction techniques have explored the used of composite materials in the construction of space stations and platforms. These composites offer superior strength to weight ratio and are thermally stable. For example, a composite material being considered is laminates of graphite fibers in an epoxy matrix. The overall effective elastic constants of such a medium can be calculated from fiber and matrix properties by using an effective modulus theory as shown in Datta, el. al. The investigation of propagation and scattering of elastic waves in composite materials is necessary in order to develop an ability to characterize cracks and predict the reliability of composite structures. The objective of this investigation is the characterization of a surface breaking crack by ultrasonic techniques. In particular, the use of Lamb waves for this purpose is studied here. The Lamb waves travel through the plate, encountering a crack, and scatter. Of interest is the modeling of the scattered wave in terms of the Lamb wave modes. The direct problem of propagation and scattering of Lamb waves by a surface breaking crack has been analyzed. This would permit an experimentalist to characterize the crack by comparing the measured response to the analytical model. The plate is assumed to be infinite in the x and y directions with a constant thickness in the z direction. The top and bottom surfaces are traction free. Solving the governing wave equations and using the stress-free boundary conditions results in the dispersion equation. This equation yields the guided modes in the homogeneous plate. The theoretical model is a hybrid method that combines analytical and finite elements techniques to describe the scattered displacements. A finite region containing the defects is discretized by finite elements. Outside the local region, the far field solution is expressed as a Fourier summation of the guided modes obtained from the dispersion equation. Continuity of tractions and displacements at the boundaries of the two regions provides the necessary equations to determine the expansion coefficients and the nodal displacements. In the hybrid method used here these defects can be of arbitrary shapes as well as inclusions of different materials.

Small gas-phase dianions produced by sputtering and gas flooding

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

Franzreb, Klaus; Williams, Peter

2005-12-08

We have extended our previous experiment [Schauer et al., Phys. Rev. Lett. 65, 625 (1990)] where we had produced small gas-phase dianion clusters of C{sub n}{sup 2-}(n{>=}7) by means of sputtering a graphite surface by Cs{sup +} ion bombardment. Our detection sensitivity for small C{sub n}{sup 2-} could now be increased by a factor of about 50 for odd n. Nevertheless, a search for the elusive pentamer dianion of C{sub 5}{sup 2-} was not successful. As an upper limit, the sputtered flux of C{sub 5}{sup 2-} must be at least a factor of 5000 lower than that of C{sub 7}{supmore » 2-}, provided that the lifetime of C{sub 5}{sup 2-} is sufficiently long to allow its detection by mass spectrometry. When oxygen gas (flooding with either O{sub 2} or with N{sub 2}O) was supplied to the Cs{sup +}-bombarded graphite surface, small dianions of OC{sub n}{sup 2-}(5{<=}n{<=}14) and O{sub 2}C{sub 7}{sup 2-} were observed in addition to C{sub n}{sup 2-}(n{>=}7). Similarly, Cs{sup +} sputtering of graphite with simultaneous SF{sub 6} gas flooding produced SC{sub n}{sup 2-}(6{<=}n{<=}18). Mixed nitrogen-carbon or fluorine-carbon dianion clusters could not be observed by these means. Attempts to detect mixed metal-fluoride dianions for SF{sub 6} gas flooding of various Cs{sup +}-bombarded metal surfaces were successful for the case of Zr, where metastable ZrF{sub 6}{sup 2-} was observed. Cs{sup +} bombardment of a silicon carbide (SiC) wafer produced SiC{sub n}{sup 2-} (n=6,8,10). When oxygen gas was supplied to the Cs{sup +}-bombarded SiC surface, small dianions of SiOC{sub n}{sup 2-} (n=4,6,8) and of SiO{sub 2}C{sub n}{sup 2-} (n=4,6) as well as a heavier unidentified dianion (at m/z=98.5) were observed. For toluene (C{sub 7}H{sub 8}) vapor flooding of a Cs{sup +}-bombarded graphite surface, several hydrocarbon dianion clusters of C{sub n}H{sub m}{sup 2-}(n{>=}7) were produced in addition to C{sub n}{sup 2-}(n{>=}7), while smaller C{sub n}H{sub m}{sup 2-} with n{<=}6 could not be observed. BeC{sub n}{sup 2-} (n=4,6,8,10), Be{sub 2}C{sub 6}{sup 2-}, as well as BeC{sub 8}H{sub m}{sup 2-} (with m=2 and/or m=1) were observed for toluene vapor flooding of a Cs{sup +}-bombarded beryllium metal foil. The metastable pentamer {sup 9}Be{sup 12}C{sub 4}{sup 2-} at m/z=28.5 was the smallest and lightest dianion molecule that we could detect. The small dianion clusters of SC{sub n}{sup 2-}, OC{sub n}{sup 2-}, BeC{sub n}{sup 2-}, and SiO{sub m}C{sub n}{sup 2-} (m=0,1,2) have different abundance patterns. A resemblance exists between the abundance patterns of BeC{sub n}{sup 2-} and SiC{sub n}{sup 2-}, even though calculated molecular structures of BeC{sub 6}{sup 2-} and SiC{sub 6}{sup 2-} are different. The abundance pattern of SC{sub n}{sup 2-} is fairly similar to that of C{sub n}{sup 2-}.« less

Adsorption configurations and scanning voltage determined STM images of small hydrogen clusters on bilayer graphene.

PubMed

Cao, Teng Fei; Huang, Liang Feng; Zheng, Xiao Hong; Zhou, Wang Huai; Zeng, Zhi

2013-11-21

By density functional theory calculations, the scanning tunneling microscopy (STM) images of various hydrogen clusters adsorbed on bilayer-graphene are systematically simulated. The hydrogen configurations of the STM images observed in the experiments have been thoroughly figured out. In particular, two kinds of hydrogen dimers (ortho-dimer, para-dimer) and two kinds of tetramers (tetramer-A, -B) are determined to be the hydrogen configurations corresponding to the ellipsoidal-like STM images with different structures and sizes. One particular hexamer (hexamer-B) is the hydrogen configuration generating the star-like STM images. For each hydrogen cluster, the simulated STM images show unique voltage-dependent features, which provides a feasible way to determine hydrogen adsorption states on graphene or graphite surface in the experiments by varying-voltage measurements. Stability analysis proves that the above determined hydrogen configurations are quite stable on graphene, hence they are likely to be detected in the STM experiments. Consequently, through systematic analysis of the STM images and the stability of hydrogen clusters on bilayer graphene, many experimental observations have been consistently explained.

Coexistence of Antiferromagnetic and Spin Cluster Glass Order in the Magnetoelectric Relaxor Multiferroic PbFe0.5Nb0.5O3

NASA Astrophysics Data System (ADS)

Kleemann, W.; Shvartsman, V. V.; Borisov, P.; Kania, A.

2010-12-01

The coexistence of cluster glass with long-range antiferromagnetic order in the relaxor ferroelectric PbFe0.5Nb0.5O3 is elucidated. While the transition at TN=153K on the infinite antiferromagnetic cluster induces 3m symmetry with large EH2 magnetoelectric response, the disconnected subspace of isolated Fe3+ ions and finite clusters accommodates the cluster glass below Tg=10.6K with field-induced m' symmetry and EH-type magnetoelectric response. Critical slowing-down, memory and rejuvenation after aging, occurrence of a de Almeida-Thouless phase line, and stretched exponential relaxation of remanence corroborate the glass nature.

Surface passivation for tight-binding calculations of covalent solids.

PubMed

Bernstein, N

2007-07-04

Simulation of a cluster representing a finite portion of a larger covalently bonded system requires the passivation of the cluster surface. We compute the effects of an explicit hybrid orbital passivation (EHOP) on the atomic structure in a model bulk, three-dimensional, narrow gap semiconductor, which is very different from the wide gap, quasi-one-dimensional organic molecules where most passivation schemes have been studied in detail. The EHOP approach is directly applicable to minimal atomic orbital basis methods such as tight-binding. Each broken bond is passivated by a hybrid created from an explicitly expressed linear combination of basis orbitals, chosen to represent the contribution of the missing neighbour, e.g. a sp(3) hybrid for a single bond. The method is tested by computing the forces on atoms near a point defect as a function of cluster geometry. We show that, compared to alternatives such as pseudo-hydrogen passivation, the force on an atom converges to the correct bulk limit more quickly as a function of cluster radius, and that the force is more stable with respect to perturbations in the position of the cluster centre. The EHOP method also obviates the need for parameterizing the interactions between the system atoms and the passivating atoms. The method is useful for cluster calculations of non-periodic defects in large systems and for hybrid schemes that simulate large systems by treating finite regions with a quantum-mechanical model, coupled to an interatomic potential description of the rest of the system.

Surface passivation for tight-binding calculations of covalent solids

NASA Astrophysics Data System (ADS)

Bernstein, N.

2007-07-01

Simulation of a cluster representing a finite portion of a larger covalently bonded system requires the passivation of the cluster surface. We compute the effects of an explicit hybrid orbital passivation (EHOP) on the atomic structure in a model bulk, three-dimensional, narrow gap semiconductor, which is very different from the wide gap, quasi-one-dimensional organic molecules where most passivation schemes have been studied in detail. The EHOP approach is directly applicable to minimal atomic orbital basis methods such as tight-binding. Each broken bond is passivated by a hybrid created from an explicitly expressed linear combination of basis orbitals, chosen to represent the contribution of the missing neighbour, e.g. a sp3 hybrid for a single bond. The method is tested by computing the forces on atoms near a point defect as a function of cluster geometry. We show that, compared to alternatives such as pseudo-hydrogen passivation, the force on an atom converges to the correct bulk limit more quickly as a function of cluster radius, and that the force is more stable with respect to perturbations in the position of the cluster centre. The EHOP method also obviates the need for parameterizing the interactions between the system atoms and the passivating atoms. The method is useful for cluster calculations of non-periodic defects in large systems and for hybrid schemes that simulate large systems by treating finite regions with a quantum-mechanical model, coupled to an interatomic potential description of the rest of the system.

Emergent phases of fractonic matter

NASA Astrophysics Data System (ADS)

Prem, Abhinav; Pretko, Michael; Nandkishore, Rahul M.

2018-02-01

Fractons are emergent particles which are immobile in isolation, but which can move together in dipolar pairs or other small clusters. These exotic excitations naturally occur in certain quantum phases of matter described by tensor gauge theories. Previous research has focused on the properties of small numbers of fractons and their interactions, effectively mapping out the "standard model" of fractons. In the present work, however, we consider systems with a finite density of either fractons or their dipolar bound states, with a focus on the U (1 ) fracton models. We study some of the phases in which emergent fractonic matter can exist, thereby initiating the study of the "condensed matter" of fractons. We begin by considering a system with a finite density of fractons, which we show can exhibit microemulsion physics, in which fractons form small-scale clusters emulsed in a phase dominated by long-range repulsion. We then move on to study systems with a finite density of mobile dipoles, which have phases analogous to many conventional condensed matter phases. We focus on two major examples: Fermi liquids and quantum Hall phases. A finite density of fermionic dipoles will form a Fermi surface and enter a Fermi liquid phase. Interestingly, this dipolar Fermi liquid exhibits a finite-temperature phase transition, corresponding to an unbinding transition of fractons. Finally, we study chiral two-dimensional phases corresponding to dipoles in "quantum Hall" states of their emergent magnetic field. We study numerous aspects of these generalized quantum Hall systems, such as their edge theories and ground state degeneracies.

Analysis and sizing of Mars aerobrake structure

NASA Technical Reports Server (NTRS)

Raju, I. S.; Craft, W. J.

1993-01-01

A cone-sphere aeroshell structure for aerobraking into Martian atmosphere is studied. Using this structural configuration, a space frame load-bearing structure is proposed. To generate this structure efficiently and to perform a variety of studies of several configurations, a mesh generator that utilizes only a few configurational parameters is developed. A finite element analysis program that analyzes space frame structures was developed. A sizing algorithm that arrives at a minimum mass configuration was developed and integrated into the finite element analysis program. A typical 135-ft-diam aerobrake configuration was analyzed and sized. The minimum mass obtained in this study using high modulus graphite/epoxy composite material members is compared with the masses obtained from two other aerobrake structures using lightweight erectable tetrahedral truss and part-spherical truss configurations. Excellent agreement for the minimum mass was obtained with the three different aerobrake structures. Also, the minimum mass using the present structure was obtained when the supports were not at the base but at about 75 percent of the base diameter.

Impact Test and Simulation of Energy Absorbing Concepts for Earth Entry Vehicles

NASA Technical Reports Server (NTRS)

Billings, Marcus D.; Fasanella, Edwin L.; Kellas, Sotiris

2001-01-01

Nonlinear dynamic finite element simulations have been performed to aid in the design of an energy absorbing concept for a highly reliable passive Earth Entry Vehicle (EEV) that will directly impact the Earth without a parachute. EEV's are designed to return materials from asteroids, comets, or planets for laboratory analysis on Earth. The EEV concept uses an energy absorbing cellular structure designed to contain and limit the acceleration of space exploration samples during Earth impact. The spherical shaped cellular structure is composed of solid hexagonal and pentagonal foam-filled cells with hybrid graphite- epoxy/Kevlar cell walls. Space samples fit inside a smaller sphere at the center of the EEV's cellular structure. Comparisons of analytical predictions using MSC,Dytran with test results obtained from impact tests performed at NASA Langley Research Center were made for three impact velocities ranging from 32 to 40 m/s. Acceleration and deformation results compared well with the test results. These finite element models will be useful for parametric studies of off-nominal impact conditions.

Local delamination in laminates with angle ply matrix cracks. Part 1: Tension tests and stress analysis

NASA Technical Reports Server (NTRS)

Obrien, T. Kevin; Hooper, S. J.

1991-01-01

Quasi-static tension tests were conducted on AS4/3501-6 graphite epoxy laminates. Dye penetrant enhanced x-radiography was used to document the onset of matrix cracking and the onset of local delaminations at the intersection of the matrix cracks and the free edge. Edge micrographs taken after the onset of damage were used to verify the location of the matrix cracks and local delamination through the laminate thickness. A quasi-3D finite element analysis was conducted to calculate the stresses responsible for matrix cracking in the off-axis plies. Laminated plate theory indicated that the transverse normal stresses were compressive. However, the finite element analysis yielded tensile transverse normal stresses near the free edge. Matrix cracks formed in the off-axis plies near the free edge where in-plane transverse stresses were tensile and had their greatest magnitude. The influence of the matrix crack on interlaminar stresses is also discussed.

Fatigue Life Methodology for Tapered Hybrid Composite Flexbeams

NASA Technical Reports Server (NTRS)

urri, Gretchen B.; Schaff, Jeffery R.

2006-01-01

Nonlinear-tapered flexbeam specimens from a full-size composite helicopter rotor hub flexbeam were tested under combined constant axial tension and cyclic bending loads. Two different graphite/glass hybrid configurations tested under cyclic loading failed by delamination in the tapered region. A 2-D finite element model was developed which closely approximated the flexbeam geometry, boundary conditions, and loading. The analysis results from two geometrically nonlinear finite element codes, ANSYS and ABAQUS, are presented and compared. Strain energy release rates (G) associated with simulated delamination growth in the flexbeams are presented from both codes. These results compare well with each other and suggest that the initial delamination growth from the tip of the ply-drop toward the thick region of the flexbeam is strongly mode II. The peak calculated G values were used with material characterization data to calculate fatigue life curves for comparison with test data. A curve relating maximum surface strain to number of loading cycles at delamination onset compared well with the test results.

Agent-based simulation of a financial market

NASA Astrophysics Data System (ADS)

Raberto, Marco; Cincotti, Silvano; Focardi, Sergio M.; Marchesi, Michele

2001-10-01

This paper introduces an agent-based artificial financial market in which heterogeneous agents trade one single asset through a realistic trading mechanism for price formation. Agents are initially endowed with a finite amount of cash and a given finite portfolio of assets. There is no money-creation process; the total available cash is conserved in time. In each period, agents make random buy and sell decisions that are constrained by available resources, subject to clustering, and dependent on the volatility of previous periods. The model proposed herein is able to reproduce the leptokurtic shape of the probability density of log price returns and the clustering of volatility. Implemented using extreme programming and object-oriented technology, the simulator is a flexible computational experimental facility that can find applications in both academic and industrial research projects.

Quantum mean-field approximation for lattice quantum models: Truncating quantum correlations and retaining classical ones

NASA Astrophysics Data System (ADS)

Malpetti, Daniele; Roscilde, Tommaso

2017-02-01

The mean-field approximation is at the heart of our understanding of complex systems, despite its fundamental limitation of completely neglecting correlations between the elementary constituents. In a recent work [Phys. Rev. Lett. 117, 130401 (2016), 10.1103/PhysRevLett.117.130401], we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part and a quantum part and that quantum correlations are generically found to decay exponentially at finite temperature, with a characteristic, temperature-dependent quantum coherence length. The existence of these two different forms of correlation in quantum many-body systems suggests the possibility of formulating an approximation, which affects quantum correlations only, without preventing the correct description of classical fluctuations at all length scales. Focusing on lattice boson and quantum Ising models, we make use of the path-integral formulation of quantum statistical mechanics to introduce such an approximation, which we dub quantum mean-field (QMF) approach, and which can be readily generalized to a cluster form (cluster QMF or cQMF). The cQMF approximation reduces to cluster mean-field theory at T =0 , while at any finite temperature it produces a family of systematically improved, semi-classical approximations to the quantum statistical mechanics of the lattice theory at hand. Contrary to standard MF approximations, the correct nature of thermal critical phenomena is captured by any cluster size. In the two exemplary cases of the two-dimensional quantum Ising model and of two-dimensional quantum rotors, we study systematically the convergence of the cQMF approximation towards the exact result, and show that the convergence is typically linear or sublinear in the boundary-to-bulk ratio of the clusters as T →0 , while it becomes faster than linear as T grows. These results pave the way towards the development of semiclassical numerical approaches based on an approximate, yet systematically improved account of quantum correlations.

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

Lupi, Laura; Kastelowitz, Noah; Molinero, Valeria, E-mail: Valeria.Molinero@utah.edu

Carbonaceous surfaces are a major source of atmospheric particles and could play an important role in the formation of ice. Here we investigate through molecular simulations the stability, metastability, and molecular pathways of deposition of amorphous ice, bilayer ice, and ice I from water vapor on graphitic and atomless Lennard-Jones surfaces as a function of temperature. We find that bilayer ice is the most stable ice polymorph for small cluster sizes, nevertheless it can grow metastable well above its region of thermodynamic stability. In agreement with experiments, the simulations predict that on increasing temperature the outcome of water deposition ismore » amorphous ice, bilayer ice, ice I, and liquid water. The deposition nucleation of bilayer ice and ice I is preceded by the formation of small liquid clusters, which have two wetting states: bilayer pancake-like (wetting) at small cluster size and droplet-like (non-wetting) at larger cluster size. The wetting state of liquid clusters determines which ice polymorph is nucleated: bilayer ice nucleates from wetting bilayer liquid clusters and ice I from non-wetting liquid clusters. The maximum temperature for nucleation of bilayer ice on flat surfaces, T{sub B}{sup max} is given by the maximum temperature for which liquid water clusters reach the equilibrium melting line of bilayer ice as wetting bilayer clusters. Increasing water-surface attraction stabilizes the pancake-like wetting state of liquid clusters leading to larger T{sub B}{sup max} for the flat non-hydrogen bonding surfaces of this study. The findings of this study should be of relevance for the understanding of ice formation by deposition mode on carbonaceous atmospheric particles, including soot.« less

Stochastic theory of log-periodic patterns

NASA Astrophysics Data System (ADS)

Canessa, Enrique

2000-12-01

We introduce an analytical model based on birth-death clustering processes to help in understanding the empirical log-periodic corrections to power law scaling and the finite-time singularity as reported in several domains including rupture, earthquakes, world population and financial systems. In our stochastic theory log-periodicities are a consequence of transient clusters induced by an entropy-like term that may reflect the amount of co-operative information carried by the state of a large system of different species. The clustering completion rates for the system are assumed to be given by a simple linear death process. The singularity at t0 is derived in terms of birth-death clustering coefficients.

Fully polynomial-time approximation scheme for a special case of a quadratic Euclidean 2-clustering problem

NASA Astrophysics Data System (ADS)

Kel'manov, A. V.; Khandeev, V. I.

2016-02-01

The strongly NP-hard problem of partitioning a finite set of points of Euclidean space into two clusters of given sizes (cardinalities) minimizing the sum (over both clusters) of the intracluster sums of squared distances from the elements of the clusters to their centers is considered. It is assumed that the center of one of the sought clusters is specified at the desired (arbitrary) point of space (without loss of generality, at the origin), while the center of the other one is unknown and determined as the mean value over all elements of this cluster. It is shown that unless P = NP, there is no fully polynomial-time approximation scheme for this problem, and such a scheme is substantiated in the case of a fixed space dimension.

Single exposure three-dimensional imaging of dusty plasma clusters.

PubMed

Hartmann, Peter; Donkó, István; Donkó, Zoltán

2013-02-01

We have worked out the details of a single camera, single exposure method to perform three-dimensional imaging of a finite particle cluster. The procedure is based on the plenoptic imaging principle and utilizes a commercial Lytro light field still camera. We demonstrate the capabilities of our technique on a single layer particle cluster in a dusty plasma, where the camera is aligned and inclined at a small angle to the particle layer. The reconstruction of the third coordinate (depth) is found to be accurate and even shadowing particles can be identified.

Biclustering Models for Two-Mode Ordinal Data.

PubMed

Matechou, Eleni; Liu, Ivy; Fernández, Daniel; Farias, Miguel; Gjelsvik, Bergljot

2016-09-01

The work in this paper introduces finite mixture models that can be used to simultaneously cluster the rows and columns of two-mode ordinal categorical response data, such as those resulting from Likert scale responses. We use the popular proportional odds parameterisation and propose models which provide insights into major patterns in the data. Model-fitting is performed using the EM algorithm, and a fuzzy allocation of rows and columns to corresponding clusters is obtained. The clustering ability of the models is evaluated in a simulation study and demonstrated using two real data sets.

Simulation on friction taper plug welding of AA6063-20Gr metal matrix composite

NASA Astrophysics Data System (ADS)

Hynes, N. Rajesh Jesudoss; Nithin, Abeyram M.

2016-05-01

Friction taper plug welding a variant of friction welding is useful in welding of similar and dissimilar materials. It could be used for joining of composites to metals in sophisticated aerospace applications. In the present work numerical simulation of friction taper plug welding process is carried out using finite element based software. Graphite reinforced AA6063 is modelled using the software ANSYS 15.0 and temperature distribution is predicted. Effect of friction time on temperature distribution is numerically investigated. When the friction time is increased to 30 seconds, the tapered part of plug gets detached and fills the hole in the AA6063 plate perfectly.

Heat Treatment Used to Strengthen Enabling Coating Technology for Oil-Free Turbomachinery

NASA Technical Reports Server (NTRS)

Edmonds, Brian J.; DellaCorte, Christopher

2002-01-01

The PS304 high-temperature solid lubricant coating is a key enabling technology for Oil- Free turbomachinery propulsion and power systems. Breakthroughs in the performance of advanced foil air bearings and improvements in computer-based finite element modeling techniques are the key technologies enabling the development of Oil-Free aircraft engines being pursued by the Oil-Free Turbomachinery team at the NASA Glenn Research Center. PS304 is a plasma spray coating applied to the surface of shafts operating against foil air bearings or in any other component requiring solid lubrication at high temperatures, where conventional materials such as graphite cannot function.

The fracture behavior of filament wound cylinders with surface flaws

NASA Technical Reports Server (NTRS)

Harris, C. E.; Morris, D. H.; Poe, C. C., Jr.

1985-01-01

The behavior of tensile coupons with surface notches of various semielliptical shapes has been evaluated for specimens obtained from a thick filament wound graphite/epoxy cylinder. Specimens with very shallow notches were observed to be notch insensitive and the unnotched strength from these specimens was determined to be 54.97 Ksi with an associated failure strain of 1.328 percent. Specimens with deeper notches were sensitive to notch depth and notch aspect ratio. Isotropic linear elastic fracture mechanics with an estimated fracture toughness of 27.2 Ksi-in.-to the 1/2 correctly predicted the influence of notch depth, aspect ratio and specimen finite width.

Direct observation of small cluster mobility and ripening. [during annealing of metal films on amorphous substrates

NASA Technical Reports Server (NTRS)

Heinemann, K.; Poppa, H.

1975-01-01

Direct evidence is reported for the simultaneous occurrence of Ostwald ripening and short-distance cluster mobility during annealing of discontinuous metal films on clean amorphous substrates. The annealing characteristics of very thin particulate deposits of silver on amorphized clean surfaces of single crystalline thin graphite substrates were studied by in-situ transmission electron microscopy (TEM) under controlled environmental conditions (residual gas pressure of 10 to the minus 9th power torr) in the temperature range from 25 to 450 C. Sputter cleaning of the substrate surface, metal deposition, and annealing were monitored by TEM observation. Pseudostereographic presentation of micrographs in different annealing stages, the observation of the annealing behavior at cast shadow edges, and measurements with an electronic image analyzing system were employed to aid the visual perception and the analysis of changes in deposit structure recorded during annealing. Slow Ostwald ripening was found to occur in the entire temperature range, but the overriding surface transport mechanism was short-distance cluster mobility.

Cluster formation in laser-induced ablation and evaporation of solids observed by laser ionization time-of-flight mass spectrometry and scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Tench, R. J.; Balooch, M.; Bernardez, L.; Allen, Mike J.; Siekhaus, W. J.; Olander, D. R.; Wang, W.

1990-04-01

Laser ionization time-of-flight mass analysis (LIMA) used pulses (5ns) of a frequency-quadrupled Nd-YAG laser (266 nm) focused onto spots of 4 to 100 microns diameter to ablate material, and a reflectron time of flight tube to mass-analyze the plume. The observed mass spectra for Si, Pt, SiC, and UO 2 varied in the distribution of ablation products among atoms, molecules and clusters, depending on laser power density and target material. Cleaved surfaces of highly oriented pyrolytic graphite (HOPG) positioned at room temperature either 10 cm away from materials ablated at 10(exp -5) Torr by 1 to 3 excimer laser (308 nm) pulses of 20 ns duration or 1 m away from materials vaporized at 10(exp -8) Torr by 10 Nd-Glass laser pulses of 1 ms duration were analyzed by Scanning Tunneling Microscopy (STM) in air with angstrom resolution. Clusters up to 30 A in diameter were observed.

Self-organized nanostructure formation on the graphite surface induced by helium ion irradiation

NASA Astrophysics Data System (ADS)

Dutta, N. J.; Mohanty, S. R.; Buzarbaruah, N.; Ranjan, M.; Rawat, R. S.

2018-06-01

The effects of helium ion irradiation on the graphite surface are studied by employing a plasma focus device. The device emits helium ion pulse having energies in the range of a few keV to a few MeV and flux on the order of 1025 m-2 s-1 at 60 mm axial position from the anode tip. The field emission scanning electron microscopy confirms the formation of multi-modal spherical and elongated agglomerated structures on irradiated samples surface with increase in agglomerate size with increasing number of irradiation shots. The transient annealing in each irradiation was not enough to cause the Oswald ripening or sintering of particles into bigger particle or crystal size but only resulted in clustering. The atomic force micrographs reveal an increase in average surface roughness with increasing ion irradiation. The Raman study demonstrates increase in disordered D peak along with reduced crystallite size (La) with increasing number of irradiation shots.

Noncovalent Interactions of DNA Bases with Naphthalene and Graphene.

PubMed

Cho, Yeonchoo; Min, Seung Kyu; Yun, Jeonghun; Kim, Woo Youn; Tkatchenko, Alexandre; Kim, Kwang S

2013-04-09

The complexes of a DNA base bound to graphitic systems are studied. Considering naphthalene as the simplest graphitic system, DNA base-naphthalene complexes are scrutinized at high levels of ab initio theory including coupled cluster theory with singles, doubles, and perturbative triples excitations [CCSD(T)] at the complete basis set (CBS) limit. The stacked configurations are the most stable, where the CCSD(T)/CBS binding energies of guanine, adenine, thymine, and cytosine are 9.31, 8.48, 8.53, 7.30 kcal/mol, respectively. The energy components are investigated using symmetry-adapted perturbation theory based on density functional theory including the dispersion energy. We compared the CCSD(T)/CBS results with several density functional methods applicable to periodic systems. Considering accuracy and availability, the optB86b nonlocal functional and the Tkatchenko-Scheffler functional are used to study the binding energies of nucleobases on graphene. The predicted values are 18-24 kcal/mol, though many-body effects on screening and energy need to be further considered.

Approximation algorithm for the problem of partitioning a sequence into clusters

NASA Astrophysics Data System (ADS)

Kel'manov, A. V.; Mikhailova, L. V.; Khamidullin, S. A.; Khandeev, V. I.

2017-08-01

We consider the problem of partitioning a finite sequence of Euclidean points into a given number of clusters (subsequences) using the criterion of the minimal sum (over all clusters) of intercluster sums of squared distances from the elements of the clusters to their centers. It is assumed that the center of one of the desired clusters is at the origin, while the center of each of the other clusters is unknown and determined as the mean value over all elements in this cluster. Additionally, the partition obeys two structural constraints on the indices of sequence elements contained in the clusters with unknown centers: (1) the concatenation of the indices of elements in these clusters is an increasing sequence, and (2) the difference between an index and the preceding one is bounded above and below by prescribed constants. It is shown that this problem is strongly NP-hard. A 2-approximation algorithm is constructed that is polynomial-time for a fixed number of clusters.

γ-Irradiation assisted synthesis of graphene oxide sheets supported Ag nanoparticles with single crystalline structure and parabolic distribution from interlamellar limitation

NASA Astrophysics Data System (ADS)

Yue, Yunhao; Zhou, Baoming; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei; Liu, Liangsen; Kuang, Liyun; Ma, Meijun; Fu, Hongjun

2017-05-01

This paper reported a method to fabricate graphene oxide sheets supported Ag nanoparticles (AgNPs/GOS) with single crystalline structure and parabolic distribution without surfactant or functional agent. We used imidazole silver nitrate as intercalation precursor into the layers of graphite oxide, and subsequently reduction and growth of interlamellar AgNPs were induced via γ-irradiation. The results illustrated that the synergism of interlamellar limitation of graphite oxide and fragmentation ability of γ-irradiation could prevent coalescent reaction of AgNPs with other oligomeric clusters, and the single crystalline and small-sized (below 13.9 nm) AgNPs were prepared. Moreover, the content and size of AgNPs exhibited parabolic distribution on GOS surface because the graphite oxide exfoliated to GOS from the edge to the central area of layers. In addition, complete exfoliation degree of GOS and large-sized AgNPs were obtained simultaneously under suitable silver ions concentration. Optimized composites exhibited outstanding surface-enhanced Raman scattering properties for crystal violet with enhancement factor of 1.3 × 106 and detection limit of 1.0 × 10-7 M, indicating that the AgNPs/GOS composites could be applied to trace detection of organic dyes molecules. Therefore, this study presented a strategy for developing GOS supported nanometal with single crystalline structure and parabolic distribution based on γ-irradiation.

Testing the Bose-Einstein Condensate dark matter model at galactic cluster scale

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

Harko, Tiberiu; Liang, Pengxiang; Liang, Shi-Dong

The possibility that dark matter may be in the form of a Bose-Einstein Condensate (BEC) has been extensively explored at galactic scale. In particular, good fits for the galactic rotations curves have been obtained, and upper limits for the dark matter particle mass and scattering length have been estimated. In the present paper we extend the investigation of the properties of the BEC dark matter to the galactic cluster scale, involving dark matter dominated astrophysical systems formed of thousands of galaxies each. By considering that one of the major components of a galactic cluster, the intra-cluster hot gas, is describedmore » by King's β-model, and that both intra-cluster gas and dark matter are in hydrostatic equilibrium, bound by the same total mass profile, we derive the mass and density profiles of the BEC dark matter. In our analysis we consider several theoretical models, corresponding to isothermal hot gas and zero temperature BEC dark matter, non-isothermal gas and zero temperature dark matter, and isothermal gas and finite temperature BEC, respectively. The properties of the finite temperature BEC dark matter cluster are investigated in detail numerically. We compare our theoretical results with the observational data of 106 galactic clusters. Using a least-squares fitting, as well as the observational results for the dark matter self-interaction cross section, we obtain some upper bounds for the mass and scattering length of the dark matter particle. Our results suggest that the mass of the dark matter particle is of the order of μ eV, while the scattering length has values in the range of 10{sup −7} fm.« less

Improving Osteoblast Response In Vitro by a Nanostructured Thin Film with Titanium Carbide and Titanium Oxides Clustered around Graphitic Carbon

PubMed Central

Longo, Giovanni; Ioannidu, Caterina Alexandra; Scotto d’Abusco, Anna; Superti, Fabiana; Misiano, Carlo; Zanoni, Robertino; Politi, Laura; Mazzola, Luca; Iosi, Francesca; Mura, Francesco; Scandurra, Roberto

2016-01-01

Introduction Recently, we introduced a new deposition method, based on Ion Plating Plasma Assisted technology, to coat titanium implants with a thin but hard nanostructured layer composed of titanium carbide and titanium oxides, clustered around graphitic carbon. The nanostructured layer has a double effect: protects the bulk titanium against the harsh conditions of biological tissues and in the same time has a stimulating action on osteoblasts. Results The aim of this work is to describe the biological effects of this layer on osteoblasts cultured in vitro. We demonstrate that the nanostructured layer causes an overexpression of many early genes correlated to proteins involved in bone turnover and an increase in the number of surface receptors for α3β1 integrin, talin, paxillin. Analyses at single-cell level, by scanning electron microscopy, atomic force microscopy, and single cell force spectroscopy, show how the proliferation, adhesion and spreading of cells cultured on coated titanium samples are higher than on uncoated titanium ones. Finally, the chemistry of the layer induces a better formation of blood clots and a higher number of adhered platelets, compared to the uncoated cases, and these are useful features to improve the speed of implant osseointegration. Conclusion In summary, the nanostructured TiC film, due to its physical and chemical properties, can be used to protect the implants and to improve their acceptance by the bone. PMID:27031101

Clustering and heterogeneous dynamics in a kinetic Monte Carlo model of self-propelled hard disks

NASA Astrophysics Data System (ADS)

Levis, Demian; Berthier, Ludovic

2014-06-01

We introduce a kinetic Monte Carlo model for self-propelled hard disks to capture with minimal ingredients the interplay between thermal fluctuations, excluded volume, and self-propulsion in large assemblies of active particles. We analyze in detail the resulting (density, self-propulsion) nonequilibrium phase diagram over a broad range of parameters. We find that purely repulsive hard disks spontaneously aggregate into fractal clusters as self-propulsion is increased and rationalize the evolution of the average cluster size by developing a kinetic model of reversible aggregation. As density is increased, the nonequilibrium clusters percolate to form a ramified structure reminiscent of a physical gel. We show that the addition of a finite amount of noise is needed to trigger a nonequilibrium phase separation, showing that demixing in active Brownian particles results from a delicate balance between noise, interparticle interactions, and self-propulsion. We show that self-propulsion has a profound influence on the dynamics of the active fluid. We find that the diffusion constant has a nonmonotonic behavior as self-propulsion is increased at finite density and that activity produces strong deviations from Fickian diffusion that persist over large time scales and length scales, suggesting that systems of active particles generically behave as dynamically heterogeneous systems.

First passage times in homogeneous nucleation: Dependence on the total number of particles

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

Yvinec, Romain; Bernard, Samuel; Pujo-Menjouet, Laurent

2016-01-21

Motivated by nucleation and molecular aggregation in physical, chemical, and biological settings, we present an extension to a thorough analysis of the stochastic self-assembly of a fixed number of identical particles in a finite volume. We study the statistics of times required for maximal clusters to be completed, starting from a pure-monomeric particle configuration. For finite volumes, we extend previous analytical approaches to the case of arbitrary size-dependent aggregation and fragmentation kinetic rates. For larger volumes, we develop a scaling framework to study the first assembly time behavior as a function of the total quantity of particles. We find thatmore » the mean time to first completion of a maximum-sized cluster may have a surprisingly weak dependence on the total number of particles. We highlight how higher statistics (variance, distribution) of the first passage time may nevertheless help to infer key parameters, such as the size of the maximum cluster. Finally, we present a framework to quantify formation of macroscopic sized clusters, which are (asymptotically) very unlikely and occur as a large deviation phenomenon from the mean-field limit. We argue that this framework is suitable to describe phase transition phenomena, as inherent infrequent stochastic processes, in contrast to classical nucleation theory.« less

First passage times in homogeneous nucleation: Dependence on the total number of particles

NASA Astrophysics Data System (ADS)

Yvinec, Romain; Bernard, Samuel; Hingant, Erwan; Pujo-Menjouet, Laurent

2016-01-01

Motivated by nucleation and molecular aggregation in physical, chemical, and biological settings, we present an extension to a thorough analysis of the stochastic self-assembly of a fixed number of identical particles in a finite volume. We study the statistics of times required for maximal clusters to be completed, starting from a pure-monomeric particle configuration. For finite volumes, we extend previous analytical approaches to the case of arbitrary size-dependent aggregation and fragmentation kinetic rates. For larger volumes, we develop a scaling framework to study the first assembly time behavior as a function of the total quantity of particles. We find that the mean time to first completion of a maximum-sized cluster may have a surprisingly weak dependence on the total number of particles. We highlight how higher statistics (variance, distribution) of the first passage time may nevertheless help to infer key parameters, such as the size of the maximum cluster. Finally, we present a framework to quantify formation of macroscopic sized clusters, which are (asymptotically) very unlikely and occur as a large deviation phenomenon from the mean-field limit. We argue that this framework is suitable to describe phase transition phenomena, as inherent infrequent stochastic processes, in contrast to classical nucleation theory.

Analysis of delamination in cross ply laminates initiating from impact induced matrix cracking

NASA Technical Reports Server (NTRS)

Salpekar, S. A.

1991-01-01

Several two dimensional finite element analyses of (0 sub 2/90 sub 8/0 sub 2) glass/epoxy and graphite-epoxy composite laminates were performed to study some of the characteristics of damage development due to an impact load. A cross section through the thickness of the laminate with fixed ends, and carrying a transverse load in the center was analyzed. Inclined matrix cracks such as those produced by low velocity impact were modeled in the 90 deg ply group. The introduction of the matrix cracks caused large interlaminar tension and shear stresses in the vicinity of both crack tips in the 0/90 and 90/0 interfaces. The large interlaminar stresses at the ends of the matrix cracks indicate that matrix cracking may give rise to delamination. The ratio of mode I to total strain energy release rate at the beginning of delamination calculated at the two matrix crack tips was 60 and 28 pct., respectively, in the glass/epoxy laminate. The corresponding ratio was 97 and 77 pct. in the graphite-epoxy laminate. Thus, a significant mode I component of strain energy release rate may be present at the delamination initiation due to an impact load.

Particle Size Distributions in Atmospheric Clouds

NASA Technical Reports Server (NTRS)

Paoli, Roberto; Shariff, Karim

2003-01-01

In this note, we derive a transport equation for a spatially integrated distribution function of particles size that is suitable for sparse particle systems, such as in atmospheric clouds. This is done by integrating a Boltzmann equation for a (local) distribution function over an arbitrary but finite volume. A methodology for evolving the moments of the integrated distribution is presented. These moments can be either tracked for a finite number of discrete populations ('clusters') or treated as continuum variables.

Ab initio structures and polarizabilities of sodium clusters

NASA Astrophysics Data System (ADS)

Kronik, Leeor; Vasiliev, Igor; Jain, Manish; Chelikowsky, James R.

2001-09-01

We present quantitative ab initio calculations for Na cluster structures and polarizabilities, for all cluster sizes up to 20 atoms. Our calculations are performed by combining an ab initio core-corrected pseudopotential and a gradient-corrected density functional within a real space approach. We find the cluster bonding to be very floppy and catalog a host of low-energy quasi-degenerate isomers for all second-decade clusters. The existence of these isomers results in a band of polarizability values for each cluster size even at zero temperature. This eliminates any finer structure in the polarizability curve. We further show that the experimental polarizability values are consistently underestimated by calculations at zero temperature. By computing the effects of structure expansion and distortion due to a finite temperature we arrive at a quantitative agreement between theory and experiment.

Earthquake Clusters and Spatio-temporal Migration of earthquakes in Northeastern Tibetan Plateau: a Finite Element Modeling

NASA Astrophysics Data System (ADS)

Sun, Y.; Luo, G.

2017-12-01

Seismicity in a region is usually characterized by earthquake clusters and earthquake migration along its major fault zones. However, we do not fully understand why and how earthquake clusters and spatio-temporal migration of earthquakes occur. The northeastern Tibetan Plateau is a good example for us to investigate these problems. In this study, we construct and use a three-dimensional viscoelastoplastic finite-element model to simulate earthquake cycles and spatio-temporal migration of earthquakes along major fault zones in northeastern Tibetan Plateau. We calculate stress evolution and fault interactions, and explore effects of topographic loading and viscosity of middle-lower crust and upper mantle on model results. Model results show that earthquakes and fault interactions increase Coulomb stress on the neighboring faults or segments, accelerating the future earthquakes in this region. Thus, earthquakes occur sequentially in a short time, leading to regional earthquake clusters. Through long-term evolution, stresses on some seismogenic faults, which are far apart, may almost simultaneously reach the critical state of fault failure, probably also leading to regional earthquake clusters and earthquake migration. Based on our model synthetic seismic catalog and paleoseismic data, we analyze probability of earthquake migration between major faults in northeastern Tibetan Plateau. We find that following the 1920 M 8.5 Haiyuan earthquake and the 1927 M 8.0 Gulang earthquake, the next big event (M≥7) in northeastern Tibetan Plateau would be most likely to occur on the Haiyuan fault.

On the complexity of some quadratic Euclidean 2-clustering problems

NASA Astrophysics Data System (ADS)

Kel'manov, A. V.; Pyatkin, A. V.

2016-03-01

Some problems of partitioning a finite set of points of Euclidean space into two clusters are considered. In these problems, the following criteria are minimized: (1) the sum over both clusters of the sums of squared pairwise distances between the elements of the cluster and (2) the sum of the (multiplied by the cardinalities of the clusters) sums of squared distances from the elements of the cluster to its geometric center, where the geometric center (or centroid) of a cluster is defined as the mean value of the elements in that cluster. Additionally, another problem close to (2) is considered, where the desired center of one of the clusters is given as input, while the center of the other cluster is unknown (is the variable to be optimized) as in problem (2). Two variants of the problems are analyzed, in which the cardinalities of the clusters are (1) parts of the input or (2) optimization variables. It is proved that all the considered problems are strongly NP-hard and that, in general, there is no fully polynomial-time approximation scheme for them (unless P = NP).

Solution of the sign problem in the Potts model at fixed fermion number

NASA Astrophysics Data System (ADS)

Alexandru, Andrei; Bergner, Georg; Schaich, David; Wenger, Urs

2018-06-01

We consider the heavy-dense limit of QCD at finite fermion density in the canonical formulation and approximate it by a three-state Potts model. In the strong-coupling limit, the model is free of the sign problem. Away from the strong coupling, the sign problem is solved by employing a cluster algorithm which allows to average each cluster over the Z (3 ) sectors. Improved estimators for physical quantities can be constructed by taking into account the triality of the clusters, that is, their transformation properties with respect to Z (3 ) transformations.

Electron field emission from phase pure nanotube films grown in a methane/hydrogen plasma

NASA Astrophysics Data System (ADS)

Küttel, Olivier M.; Groening, Oliver; Emmenegger, Christoph; Schlapbach, Louis

1998-10-01

Phase pure nanotube films were grown on silicon substrates by a microwave plasma under conditions which normally are used for the growth of chemical vapor deposited diamond films. However, instead of using any pretreatment leading to diamond nucleation we deposited metal clusters on the silicon substrate. The resulting films contain only nanotubes and also onion-like structures. However, no other carbon allotropes like graphite or amorphous clustered material could be found. The nanotubes adhere very well to the substrates and do not need any further purification step. Electron field emission was observed at fields above 1.5 V/μm and we observed an emission site density up to 104/cm2 at 3 V/μm. Alternatively, we have grown nanotube films by the hot filament technique, which allows to uniformly cover a two inch wafer.

Second cluster integral from the spectrum of an infinite XXZ spin chain

NASA Astrophysics Data System (ADS)

Bibikov, P. N.

2015-03-01

First and second terms of the low-temperature cluster expansion for the free energy density of a magnetically polarized XXZ spin chain is obtained within the propagator approach suggested by E.W. Montroll and J.C. Ward. All the calculations employ only one- and two-magnon infinite-chain spectrums. In the XXX-point the result reproduces the well known S. Katsura's formula obtained 50 years ago by finite-chain calculations.

High resolution structural characterisation of laser-induced defect clusters inside diamond

NASA Astrophysics Data System (ADS)

Salter, Patrick S.; Booth, Martin J.; Courvoisier, Arnaud; Moran, David A. J.; MacLaren, Donald A.

2017-08-01

Laser writing with ultrashort pulses provides a potential route for the manufacture of three-dimensional wires, waveguides, and defects within diamond. We present a transmission electron microscopy study of the intrinsic structure of the laser modifications and reveal a complex distribution of defects. Electron energy loss spectroscopy indicates that the majority of the irradiated region remains as sp3 bonded diamond. Electrically conductive paths are attributed to the formation of multiple nano-scale, sp2-bonded graphitic wires and a network of strain-relieving micro-cracks.

Progress in the characterization of diamond thin films prepared by a laser plasma discharge

NASA Astrophysics Data System (ADS)

Davanloo, F.; Juengerman, E. M.; Jander, D. R.; Lee, T. J.; Collins, C. B.

Progress in the characterization of diamond thin films produced by a unique laser plasma discharge source at practical growth rates of 0.7 micron/hr is reported. Optical properties, mass densities, and electrical resistivities of deposited films are given and their relationship to the power density of the laser at the graphite target is discussed. Examination of films with scanning tunneling microscopy show the clear prevalence of the structure recently predicted by Angus et al. (1990) in which sp3 clusters are bonded together with the carbon polytypes.

Nanostructures nucleation in carbon-metal gaseous phase: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Galiullina, G. M.; Orekhov, N. D.; Stegailov, V. V.

2018-01-01

We perform nonequilibrium molecular dynamics simulation of carbon nanoclusters nucleation and early stages of growth from the gaseous phase. We analyze the catalytic effect of iron atoms on the nucleation kinetics and structure of the resultant nanoparticles. Reactive Force Field (ReaxFF) is used in the simulations for the description of bond formation and dissociation during the nucleation process at the nanoscale. The catalytic effect of iron reveals itself even on nanosecond simulation times: iron atoms accelerate the process of clustering but result in less graphitized carbon structures.

Measurement-based quantum teleportation on finite AKLT chains

NASA Astrophysics Data System (ADS)

Fujii, Akihiko; Feder, David

In the measurement-based model of quantum computation, universal quantum operations are effected by making repeated local measurements on resource states which contain suitable entanglement. Resource states include two-dimensional cluster states and the ground state of the Affleck-Kennedy-Lieb-Tasaki (AKLT) state on the honeycomb lattice. Recent studies suggest that measurements on one-dimensional systems in the Haldane phase teleport perfect single-qubit gates in the correlation space, protected by the underlying symmetry. As laboratory realizations of symmetry-protected states will necessarily be finite, we investigate the potential for quantum gate teleportation in finite chains of a bilinear-biquadratic Hamiltonian which is a generalization of the AKLT model representing the full Haldane phase.

Human vocal tract resonances and the corresponding mode shapes investigated by three-dimensional finite-element modelling based on CT measurement.

PubMed

Vampola, Tomáš; Horáček, Jaromír; Laukkanen, Anne-Maria; Švec, Jan G

2015-04-01

Resonance frequencies of the vocal tract have traditionally been modelled using one-dimensional models. These cannot accurately represent the events in the frequency region of the formant cluster around 2.5-4.5 kHz, however. Here, the vocal tract resonance frequencies and their mode shapes are studied using a three-dimensional finite element model obtained from computed tomography measurements of a subject phonating on vowel [a:]. Instead of the traditional five, up to eight resonance frequencies of the vocal tract were found below the prominent antiresonance around 4.7 kHz. The three extra resonances were found to correspond to modes which were axially asymmetric and involved the piriform sinuses, valleculae, and transverse vibrations in the oral cavity. The results therefore suggest that the phenomenon of speaker's and singer's formant clustering may be more complex than originally thought.

‘Parabolic’ trapped modes and steered Dirac cones in platonic crystals

PubMed Central

McPhedran, R. C.; Movchan, A. B.; Movchan, N. V.; Brun, M.; Smith, M. J. A.

2015-01-01

This paper discusses the properties of flexural waves governed by the biharmonic operator, and propagating in a thin plate pinned at doubly periodic sets of points. The emphases are on the design of dispersion surfaces having the Dirac cone topology, and on the related topic of trapped modes in plates for a finite set (cluster) of pinned points. The Dirac cone topologies we exhibit have at least two cones touching at a point in the reciprocal lattice, augmented by another band passing through the point. We show that these Dirac cones can be steered along symmetry lines in the Brillouin zone by varying the aspect ratio of rectangular lattices of pins, and that, as the cones are moved, the involved band surfaces tilt. We link Dirac points with a parabolic profile in their neighbourhood, and the characteristic of this parabolic profile decides the direction of propagation of the trapped mode in finite clusters. PMID:27547089

Analysis of a Circular Composite Disk Subjected to Edge Rotations and Hydrostatic Pressure

NASA Technical Reports Server (NTRS)

Oliver, Stanley T.

2004-01-01

The structural analysis results for a graphite/epoxy quasi-isotropic circular plate subjected to a forced rotation at the boundary and pressure is presented. The analysis is to support a specialized material characterization test for composite cryogenic tanks. Finite element models were used to ensure panel integrity and determine the pressure necessary to achieve a predetermined equal biaxial strain value. The displacement results due to the forced rotation at the boundary led to a detailed study of the bending stiffness matrix [D]. The variation of the bending stiffness terms as a function of angular position is presented graphically, as well as, an illustrative technique of considering the laminate as an I-beam.

Vaporization characteristics of carbon heat shields under radiative heating.

NASA Technical Reports Server (NTRS)

Davy, W. C.; Bar-Nun, A.

1972-01-01

Study of the vaporization characteristics of samples of ATJ graphite, a material that has been considered for use on a Jovian probe. These samples were subjected to radiative heating loads of approximately 2 kW/sq cm in argon atmospheres of pressures from 0.00046 to 1 atm. Surface temperatures, mass loss rates, and spatially resolved emission spectral data were recorded. These data are analyzed to determine carbon vapor pressure as a function of temperature and are compared with current models for the vapor pressure of carbon. The effects of finite vaporization (i.e., nonequilibrium) rates are considered and compared with experiment. Estimates of the heat of vaporization from an energy balance are also presented.

Contact law and impact responses of laminated composites

NASA Technical Reports Server (NTRS)

Sun, C. T.; Yang, S. H.

1980-01-01

Static identation tests were performed to determine the law of contact between a steel ball and glass/epoxy and graphite/epoxy laminated composites. For both composites the power law with an index of 1.5 was found to be adequate for the loading curve. Substantial permanent deformations were noted after the unloading. A high order beam finite element was used to compute the dynamic contact force and response of the laminated composite subjected to the impact of an elastic sphere. This program can be used with either the classical Hertzian contact law or the measured contact law. A simple method is introduced for estimating the contact force and contact duration in elastic impacts.

Two worlds collide: Image analysis methods for quantifying structural variation in cluster molecular dynamics

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

Steenbergen, K. G., E-mail: kgsteen@gmail.com; Gaston, N.

2014-02-14

Inspired by methods of remote sensing image analysis, we analyze structural variation in cluster molecular dynamics (MD) simulations through a unique application of the principal component analysis (PCA) and Pearson Correlation Coefficient (PCC). The PCA analysis characterizes the geometric shape of the cluster structure at each time step, yielding a detailed and quantitative measure of structural stability and variation at finite temperature. Our PCC analysis captures bond structure variation in MD, which can be used to both supplement the PCA analysis as well as compare bond patterns between different cluster sizes. Relying only on atomic position data, without requirement formore » a priori structural input, PCA and PCC can be used to analyze both classical and ab initio MD simulations for any cluster composition or electronic configuration. Taken together, these statistical tools represent powerful new techniques for quantitative structural characterization and isomer identification in cluster MD.« less

Construction and Utilization of a Beowulf Computing Cluster: A User's Perspective

NASA Technical Reports Server (NTRS)

Woods, Judy L.; West, Jeff S.; Sulyma, Peter R.

2000-01-01

Lockheed Martin Space Operations - Stennis Programs (LMSO) at the John C Stennis Space Center (NASA/SSC) has designed and built a Beowulf computer cluster which is owned by NASA/SSC and operated by LMSO. The design and construction of the cluster are detailed in this paper. The cluster is currently used for Computational Fluid Dynamics (CFD) simulations. The CFD codes in use and their applications are discussed. Examples of some of the work are also presented. Performance benchmark studies have been conducted for the CFD codes being run on the cluster. The results of two of the studies are presented and discussed. The cluster is not currently being utilized to its full potential; therefore, plans are underway to add more capabilities. These include the addition of structural, thermal, fluid, and acoustic Finite Element Analysis codes as well as real-time data acquisition and processing during test operations at NASA/SSC. These plans are discussed as well.

Two worlds collide: image analysis methods for quantifying structural variation in cluster molecular dynamics.

PubMed

Steenbergen, K G; Gaston, N

2014-02-14

Inspired by methods of remote sensing image analysis, we analyze structural variation in cluster molecular dynamics (MD) simulations through a unique application of the principal component analysis (PCA) and Pearson Correlation Coefficient (PCC). The PCA analysis characterizes the geometric shape of the cluster structure at each time step, yielding a detailed and quantitative measure of structural stability and variation at finite temperature. Our PCC analysis captures bond structure variation in MD, which can be used to both supplement the PCA analysis as well as compare bond patterns between different cluster sizes. Relying only on atomic position data, without requirement for a priori structural input, PCA and PCC can be used to analyze both classical and ab initio MD simulations for any cluster composition or electronic configuration. Taken together, these statistical tools represent powerful new techniques for quantitative structural characterization and isomer identification in cluster MD.

Development of a nondestructive vibration technique for bond assessment of Space Shuttle tiles

NASA Technical Reports Server (NTRS)

Moslehy, Faissal A.

1994-01-01

This final report describes the achievements of the above titled project. The project is funded by NASA-KSC (Grant No. NAG 10-0117) for the period of 1 Jan. to 31 Dec. 1993. The purpose of this project was to develop a nondestructive, noncontact technique based on 'vibration signature' of tile systems to quantify the bond conditions of the thermal protection system) tiles of Space Shuttle orbiters. The technique uses a laser rapid scan system, modal measurements, and finite element modeling. Finite element models were developed for tiles bonded to both clamped and deformable integrated skin-stringer orbiter mid-fuselage. Results showed that the size and location of a disbonded tile can be determined from frequency and mode shape information. Moreover, a frequency response survey was used to quickly identify the disbonded tiles. The finite element results were compared with experimentally determined frequency responses of a 17-tile test panel, where a rapidscan laser system was employed. An excellent degree of correlation between the mathematical simulation and experimental results was realized. An inverse solution for single-tile assemblies was also derived and is being implemented into a computer program that can interact with the modal testing software. The output of the program displays the size and location of disbond. This program has been tested with simulated input (i.e., finite element data), and excellent agreement between predicted and simulated disbonds was shown. Finally, laser vibration imaging and acoustic emission techniques were shown to be well suited for detecting and monitoring the progressive damage in Graphite/Epoxy composite materials.

Delamination micromechanics analysis

NASA Technical Reports Server (NTRS)

Adams, D. F.; Mahishi, J. M.

1985-01-01

A three-dimensional finite element analysis was developed which includes elastoplastic, orthotropic material response, and fracture initiation and propagation. Energy absorption due to physical failure processes characteristic of the heterogeneous and anisotropic nature of composite materials is modeled. A local energy release rate in the presence of plasticity was defined and used as a criterion to predict the onset and growth of cracks in both micromechanics and macromechanics analyses. This crack growth simulation technique is based upon a virtual crack extension method. A three-dimensional finite element micromechanics model is used to study the effects of broken fibers, cracked matrix and fiber-matrix debond on the fracture toughness of the unidirectional composite. The energy release rates at the onset of unstable crack growth in the micromechanics analyses are used as critical energy release rates in the macromechanics analysis. This integrated micromechanical and macromechanical fracture criterion is shown to be very effective in predicting the onset and growth of cracks in general multilayered composite laminates by applying the criterion to a single-edge notched graphite/epoxy laminate subjected to implane tension normal to the notch.

Reinforcement of composite laminate free edges with U-shaped caps

NASA Technical Reports Server (NTRS)

Howard, W. E.; Gossard, T., Jr.; Jones, R. M.

1986-01-01

Generalized plane strain finite element analysis is used to predict reduction of interlaminar normal stresses when a U-shaped cap is bonded to the edge of a laminate. Three-dimensional composite material failure criteria are used in a progressive laminate failure analysis to predict failure loads of laminates with different edge cap designs. In an experimental program, symmetric 11-layer graphite-epoxy laminates with a one-layer cap of Kevlar-epoxy cloth are shown to be 130 to 140 percent stronger than uncapped laminates under static tensile and tension-tension fatigue loading. In addition, the coefficient of variation of the static tensile failure load decreases from 24 to 8 percent when edge caps are added. The predicted failure load calculated with the finite element results is 10 percent lower than the actual failure load. For both capped and uncapped laminates, actual failure loads are much lower than those predicted using classical lamination theory stresses and a two-dimensional failure criterion. Possible applications of the free edge reinforcement concept are described, and future research is suggested.

The mechanics of delamination in fiber-reinforced composite materials. Part 2: Delamination behavior and fracture mechanics parameters

NASA Technical Reports Server (NTRS)

Wang, S. S.; Choi, I.

1983-01-01

Based on theories of laminate anisotropic elasticity and interlaminar fracture, the complete solution structure associated with a composite delamination is determined. Fracture mechanics parameters characterizing the interlaminar crack behavior are defined from asymptotic stress solutions for delaminations with different crack-tip deformation configurations. A numerical method employing singular finite elements is developed to study delaminations in fiber composites with any arbitrary combinations of lamination, material, geometric, and crack variables. The special finite elements include the exact delamination stress singularity in its formulation. The method is shown to be computationally accurate and efficient, and operationally simple. To illustrate the basic nature of composite delamination, solutions are shown for edge-delaminated (0/-0/-0/0) and (+ or - 0/+ or - 0/90/90 deg) graphite-epoxy systems under uniform axial extenstion. Three-dimensional crack-tip stress intensity factors, associated energy release rates, and delamination crack-closure are determined for each individual case. The basic mechanics and mechanisms of composite delamination are studied, and fundamental characteristics unique to recently proposed tests for interlaminar fracture toughness of fiber composite laminates are examined.

High-Fidelity Buckling Analysis of Composite Cylinders Using the STAGS Finite Element Code

NASA Technical Reports Server (NTRS)

Hilburger, Mark W.

2014-01-01

Results from previous shell buckling studies are presented that illustrate some of the unique and powerful capabilities in the STAGS finite element analysis code that have made it an indispensable tool in structures research at NASA over the past few decades. In particular, prototypical results from the development and validation of high-fidelity buckling simulations are presented for several unstiffened thin-walled compression-loaded graphite-epoxy cylindrical shells along with a discussion on the specific methods and user-defined subroutines in STAGS that are used to carry out the high-fidelity simulations. These simulations accurately account for the effects of geometric shell-wall imperfections, shell-wall thickness variations, local shell-wall ply-gaps associated with the fabrication process, shell-end geometric imperfections, nonuniform applied end loads, and elastic boundary conditions. The analysis procedure uses a combination of nonlinear quasi-static and transient dynamic solution algorithms to predict the prebuckling and unstable collapse response characteristics of the cylinders. Finally, the use of high-fidelity models in the development of analysis-based shell-buckling knockdown (design) factors is demonstrated.

Dynamic Finite Element Predictions for Mars Sample Return Cellular Impact Test #4

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Billings, Marcus D.

2001-01-01

The nonlinear, transient dynamic finite element code, MSC.Dytran, was used to simulate an impact test of an energy absorbing Earth Entry Vehicle (EEV) that will impact without a parachute. EEVOs are designed to return materials from asteroids, comets, or planets for laboratory analysis on Earth. The EEV concept uses an energy absorbing cellular structure designed to contain and limit the acceleration of space exploration samples during Earth impact. The spherical shaped cellular structure is composed of solid hexagonal and pentagonal foam-filled cells with hybrid graphite-epoxy/Kevlar cell walls. Space samples fit inside a smaller sphere at the center of the EEVOs cellular structure. Pre-test analytical predictions were compared with the test results from a bungee accelerator. The model used to represent the foam and the proper failure criteria for the cell walls were critical in predicting the impact loads of the cellular structure. It was determined that a FOAM1 model for the foam and a 20% failure strain criteria for the cell walls gave an accurate prediction of the acceleration pulse for cellular impact.

Fatigue Life Analysis of Tapered Hybrid Composite Flexbeams

NASA Technical Reports Server (NTRS)

Murri, Gretchen B.; Schaff, Jeffery R.; Dobyns, Alan L.

2002-01-01

Nonlinear-tapered flexbeam laminates from a full-size composite helicopter rotor hub flexbeam were tested under combined constant axial tension and cyclic bending loads. The two different graphite/glass hybrid configurations tested under cyclic loading failed by delamination in the tapered region. A 2-D finite element model was developed which closely approximated the flexbeam geometry, boundary conditions, and loading. The analysis results from two geometrically nonlinear finite element codes, ANSYS and ABAQUS, are presented and compared. Strain energy release rates (G) obtained from the above codes using the virtual crack closure technique (VCCT) at a resin crack location in the flexbeams are presented for both hybrid material types. These results compare well with each other and suggest that the initial delamination growth from the resin crack toward the thick region of the flexbeam is strongly mode II. The peak calculated G values were used with material characterization data to calculate fatigue life curves and compared with test data. A curve relating maximum surface strain to number of loading cycles at delamination onset compared reasonably well with the test results.

Radiation damage and thermal shock response of carbon-fiber-reinforced materials to intense high-energy proton beams

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

Simos, N.; Zhong, Z.; Ghose, S.

Here, a comprehensive study on the effects of energetic protons on carbon-fiber composites and compounds under consideration for use as low-Z pion production targets in future high-power accelerators and low-impedance collimating elements for intercepting TeV-level protons at the Large Hadron Collider has been undertaken addressing two key areas, namely, thermal shock absorption and resistance to irradiation damage. Carbon-fiber composites of various fiber weaves have been widely used in aerospace industries due to their unique combination of high temperature stability, low density, and high strength. The performance of carbon-carbon composites and compounds under intense proton beams and long-term irradiation have beenmore » studied in a series of experiments and compared with the performance of graphite. The 24-GeV proton beam experiments confirmed the inherent ability of a 3D C/C fiber composite to withstand a thermal shock. A series of irradiation damage campaigns explored the response of different C/C structures as a function of the proton fluence and irradiating environment. Radiolytic oxidation resulting from the interaction of oxygen molecules, the result of beam-induced radiolysis encountered during some of the irradiation campaigns, with carbon atoms during irradiation with the presence of a water coolant emerged as a dominant contributor to the observed structural integrity loss at proton fluences ≥5×10 20 p/cm 2. The carbon-fiber composites were shown to exhibit significant anisotropy in their dimensional stability driven by the fiber weave and the microstructural behavior of the fiber and carbon matrix accompanied by the presence of manufacturing porosity and defects. Carbon-fiber-reinforced molybdenum-graphite compounds (MoGRCF) selected for their impedance properties in the Large Hadron Collider beam collimation exhibited significant decrease in postirradiation load-displacement behavior even after low dose levels (~5×10 18 p cm -2). In addition, the studied MoGRCF compound grade suffered a high degree of structural degradation while being irradiated in a vacuum after a fluence ~5×10 20 p cm -2. Finally, x-ray diffraction studies on irradiated C/C composites and a carbon-fiber-reinforced Mo-graphite compound revealed (a) low graphitization in the “as-received” 3D C/C and high graphitization in the MoGRCF compound, (b) irradiation-induced graphitization of the least crystallized phases in the carbon fibers of the 2D and 3D C/C composites, (c) increased interplanar distances along the c axis of the graphite crystal with increasing fluence, and (d) coalescence of interstitial clusters after irradiation forming new crystalline planes between basal planes and excellent agreement with fast neutron irradiation effects.« less

Radiation damage and thermal shock response of carbon-fiber-reinforced materials to intense high-energy proton beams

DOE PAGES

Simos, N.; Zhong, Z.; Ghose, S.; ...

2016-11-16

Here, a comprehensive study on the effects of energetic protons on carbon-fiber composites and compounds under consideration for use as low-Z pion production targets in future high-power accelerators and low-impedance collimating elements for intercepting TeV-level protons at the Large Hadron Collider has been undertaken addressing two key areas, namely, thermal shock absorption and resistance to irradiation damage. Carbon-fiber composites of various fiber weaves have been widely used in aerospace industries due to their unique combination of high temperature stability, low density, and high strength. The performance of carbon-carbon composites and compounds under intense proton beams and long-term irradiation have beenmore » studied in a series of experiments and compared with the performance of graphite. The 24-GeV proton beam experiments confirmed the inherent ability of a 3D C/C fiber composite to withstand a thermal shock. A series of irradiation damage campaigns explored the response of different C/C structures as a function of the proton fluence and irradiating environment. Radiolytic oxidation resulting from the interaction of oxygen molecules, the result of beam-induced radiolysis encountered during some of the irradiation campaigns, with carbon atoms during irradiation with the presence of a water coolant emerged as a dominant contributor to the observed structural integrity loss at proton fluences ≥5×10 20 p/cm 2. The carbon-fiber composites were shown to exhibit significant anisotropy in their dimensional stability driven by the fiber weave and the microstructural behavior of the fiber and carbon matrix accompanied by the presence of manufacturing porosity and defects. Carbon-fiber-reinforced molybdenum-graphite compounds (MoGRCF) selected for their impedance properties in the Large Hadron Collider beam collimation exhibited significant decrease in postirradiation load-displacement behavior even after low dose levels (~5×10 18 p cm -2). In addition, the studied MoGRCF compound grade suffered a high degree of structural degradation while being irradiated in a vacuum after a fluence ~5×10 20 p cm -2. Finally, x-ray diffraction studies on irradiated C/C composites and a carbon-fiber-reinforced Mo-graphite compound revealed (a) low graphitization in the “as-received” 3D C/C and high graphitization in the MoGRCF compound, (b) irradiation-induced graphitization of the least crystallized phases in the carbon fibers of the 2D and 3D C/C composites, (c) increased interplanar distances along the c axis of the graphite crystal with increasing fluence, and (d) coalescence of interstitial clusters after irradiation forming new crystalline planes between basal planes and excellent agreement with fast neutron irradiation effects.« less

Radiation damage and thermal shock response of carbon-fiber-reinforced materials to intense high-energy proton beams

NASA Astrophysics Data System (ADS)

Simos, N.; Zhong, Z.; Ghose, S.; Kirk, H. G.; Trung, L.-P.; McDonald, K. T.; Kotsina, Z.; Nocera, P.; Assmann, R.; Redaelli, S.; Bertarelli, A.; Quaranta, E.; Rossi, A.; Zwaska, R.; Ammigan, K.; Hurh, P.; Mokhov, N.

2016-11-01

A comprehensive study on the effects of energetic protons on carbon-fiber composites and compounds under consideration for use as low-Z pion production targets in future high-power accelerators and low-impedance collimating elements for intercepting TeV-level protons at the Large Hadron Collider has been undertaken addressing two key areas, namely, thermal shock absorption and resistance to irradiation damage. Carbon-fiber composites of various fiber weaves have been widely used in aerospace industries due to their unique combination of high temperature stability, low density, and high strength. The performance of carbon-carbon composites and compounds under intense proton beams and long-term irradiation have been studied in a series of experiments and compared with the performance of graphite. The 24-GeV proton beam experiments confirmed the inherent ability of a 3D C/C fiber composite to withstand a thermal shock. A series of irradiation damage campaigns explored the response of different C/C structures as a function of the proton fluence and irradiating environment. Radiolytic oxidation resulting from the interaction of oxygen molecules, the result of beam-induced radiolysis encountered during some of the irradiation campaigns, with carbon atoms during irradiation with the presence of a water coolant emerged as a dominant contributor to the observed structural integrity loss at proton fluences ≥5 ×1020 p /cm2 . The carbon-fiber composites were shown to exhibit significant anisotropy in their dimensional stability driven by the fiber weave and the microstructural behavior of the fiber and carbon matrix accompanied by the presence of manufacturing porosity and defects. Carbon-fiber-reinforced molybdenum-graphite compounds (MoGRCF) selected for their impedance properties in the Large Hadron Collider beam collimation exhibited significant decrease in postirradiation load-displacement behavior even after low dose levels (˜5 ×1018 p cm-2 ). In addition, the studied MoGRCF compound grade suffered a high degree of structural degradation while being irradiated in a vacuum after a fluence ˜5 ×1020 p cm-2 . Finally, x-ray diffraction studies on irradiated C/C composites and a carbon-fiber-reinforced Mo-graphite compound revealed (a) low graphitization in the "as-received" 3D C/C and high graphitization in the MoGRCF compound, (b) irradiation-induced graphitization of the least crystallized phases in the carbon fibers of the 2D and 3D C/C composites, (c) increased interplanar distances along the c axis of the graphite crystal with increasing fluence, and (d) coalescence of interstitial clusters after irradiation forming new crystalline planes between basal planes and excellent agreement with fast neutron irradiation effects.

Copula based flexible modeling of associations between clustered event times.

PubMed

Geerdens, Candida; Claeskens, Gerda; Janssen, Paul

2016-07-01

Multivariate survival data are characterized by the presence of correlation between event times within the same cluster. First, we build multi-dimensional copulas with flexible and possibly symmetric dependence structures for such data. In particular, clustered right-censored survival data are modeled using mixtures of max-infinitely divisible bivariate copulas. Second, these copulas are fit by a likelihood approach where the vast amount of copula derivatives present in the likelihood is approximated by finite differences. Third, we formulate conditions for clustered right-censored survival data under which an information criterion for model selection is either weakly consistent or consistent. Several of the familiar selection criteria are included. A set of four-dimensional data on time-to-mastitis is used to demonstrate the developed methodology.

The effect of realistic forces in finite epitaxial islands: Equilibrium structure, stability limits and substrate-induced dissociation of migrating clusters

NASA Astrophysics Data System (ADS)

Milchev, Andrey; Markov, Ivan

1985-06-01

The behaviour of finite epitaxial islands in the periodic field of the substrate is theoretically investigated. The harmonic interactions, traditionally adopted in the model of Frank and Van der Merwe, are replaced by Toda and Morse potentials and sets of difference recursion equations, governing the equilibrium properties of the system, are derived and solved numerically. It is shown that allowing for anharmonicity in the interactions in the deposit reveals several qualiatively new effects, such as: (1) The existence of substrate-induced rupture of anharmonic clusters which migrate on the substrate. It is predicted that such dissociation should be enhanced, if (a) the energy barrier for surface diffusion is increased, (b) the natural incompatibility between substrate and deposit is decreased, and (c) the size of the clusters grows. (2) A split in the misfit stability limits for pseudomorphism and for spontaneous generation of misfit dislocations with respect to the sign of the misfit. The limits corresponding to negative misfit rapidly increase while the positive misfit limits decrease (in absolute terms) with growing degree of anharmonicity. (3) A marked asymmetry in the magnitude of various properties of the clusters, such as adhesion to the substrate, activation energy for surface diffusion, mean strain, dislocation lengths, etc., with respect to the sign of the mismatch between surface and deposit.

Hybrid Percolation Transition in Cluster Merging Processes: Continuously Varying Exponents

NASA Astrophysics Data System (ADS)

Cho, Y. S.; Lee, J. S.; Herrmann, H. J.; Kahng, B.

2016-01-01

Consider growing a network, in which every new connection is made between two disconnected nodes. At least one node is chosen randomly from a subset consisting of g fraction of the entire population in the smallest clusters. Here we show that this simple strategy for improving connection exhibits a more unusual phase transition, namely a hybrid percolation transition exhibiting the properties of both first-order and second-order phase transitions. The cluster size distribution of finite clusters at a transition point exhibits power-law behavior with a continuously varying exponent τ in the range 2 <τ (g )≤2.5 . This pattern reveals a necessary condition for a hybrid transition in cluster aggregation processes, which is comparable to the power-law behavior of the avalanche size distribution arising in models with link-deleting processes in interdependent networks.

Heat capacity of the neutron star inner crust within an extended nuclear statistical equilibrium model

NASA Astrophysics Data System (ADS)

Burrello, S.; Gulminelli, F.; Aymard, F.; Colonna, M.; Raduta, Ad. R.

2015-11-01

Background: Superfluidity in the crust is a key ingredient for the cooling properties of proto-neutron stars. Present theoretical calculations employ the quasiparticle mean-field Hartree-Fock-Bogoliubov theory with temperature-dependent occupation numbers for the quasiparticle states. Purpose: Finite temperature stellar matter is characterized by a whole distribution of different nuclear species. We want to assess the importance of this distribution on the calculation of heat capacity in the inner crust. Method: Following a recent work, the Wigner-Seitz cell is mapped into a model with cluster degrees of freedom. The finite temperature distribution is then given by a statistical collection of Wigner-Seitz cells. We additionally introduce pairing correlations in the local density BCS approximation both in the homogeneous unbound neutron component, and in the interface region between clusters and neutrons. Results: The heat capacity is calculated in the different baryonic density conditions corresponding to the inner crust, and in a temperature range varying from 100 KeV to 2 MeV. We show that accounting for the cluster distribution has a small effect at intermediate densities, but it considerably affects the heat capacity both close to the outer crust and close to the core. We additionally show that it is very important to consider the temperature evolution of the proton fraction for a quantitatively reliable estimation of the heat capacity. Conclusions: We present the first modelization of stellar matter containing at the same time a statistical distribution of clusters at finite temperature, and pairing correlations in the unbound neutron component. The effect of the nuclear distribution on the superfluid properties can be easily added in future calculations of the neutron star cooling curves. A strong influence of resonance population on the heat capacity at high temperature is observed, which deserves to be further studied within more microscopic calculations.

Influence of fractal substructures of the percolating cluster on transferring processes in macroscopically disordered environments

NASA Astrophysics Data System (ADS)

Kolesnikov, B. P.

2017-11-01

The presented work belongs to the issue of searching for the effective kinetic properties of macroscopically disordered environments (MDE). These properties characterize MDE in general on the sizes which significantly exceed the sizes of macro inhomogeneity. The structure of MDE is considered as a complex of interpenetrating percolating and finite clusters consolidated from homonymous components, topological characteristics of which influence on the properties of the whole environment. The influence of percolating clusters’ fractal substructures (backbone, skeleton of backbone, red bonds) on the transfer processes during crossover (a structure transition from fractal to homogeneous condition) is investigated based on the offered mathematical approach for finding the effective conductivity of MDEs and on the percolating cluster model. The nature of the change of the critical conductivity index t during crossover from the characteristic value for the area close to percolation threshold to the value corresponded to homogeneous condition is demonstrated. The offered model describes the transfer processes in MDE with the finite conductivity relation of «conductive» and «low conductive» phases above and below percolation threshold and in smearing area (an analogue of a blur area of the second-order phase transfer).

The quest for inorganic fullerenes

NASA Astrophysics Data System (ADS)

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.; Park, Eun Ji; Ganteför, Gerd; Seo, Hyun Ook; Kim, Young Dok; Idrobo, Juan-Carlos; Pennycook, Stephen J.

2015-10-01

Experimental results of the search for inorganic fullerenes are presented. MonSm- and WnSm- clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.

A ground truth based comparative study on clustering of gene expression data.

PubMed

Zhu, Yitan; Wang, Zuyi; Miller, David J; Clarke, Robert; Xuan, Jianhua; Hoffman, Eric P; Wang, Yue

2008-05-01

Given the variety of available clustering methods for gene expression data analysis, it is important to develop an appropriate and rigorous validation scheme to assess the performance and limitations of the most widely used clustering algorithms. In this paper, we present a ground truth based comparative study on the functionality, accuracy, and stability of five data clustering methods, namely hierarchical clustering, K-means clustering, self-organizing maps, standard finite normal mixture fitting, and a caBIG toolkit (VIsual Statistical Data Analyzer--VISDA), tested on sample clustering of seven published microarray gene expression datasets and one synthetic dataset. We examined the performance of these algorithms in both data-sufficient and data-insufficient cases using quantitative performance measures, including cluster number detection accuracy and mean and standard deviation of partition accuracy. The experimental results showed that VISDA, an interactive coarse-to-fine maximum likelihood fitting algorithm, is a solid performer on most of the datasets, while K-means clustering and self-organizing maps optimized by the mean squared compactness criterion generally produce more stable solutions than the other methods.

Estimating carbon cluster binding energies from measured Cn distributions, n <= 10

NASA Astrophysics Data System (ADS)

Pargellis, A. N.

1990-08-01

Experimental data are presented for the cluster distribution of sputtered negative carbon clusters, C-n, with n≤10. Additionally, clusters have been observed with masses indicating they are CsC-2n, with n≤4. The C-n data are compared with the data obtained by other groups, for neutral and charged clusters, using a variety of sources such as evaporation, sputtering, and laser ablation. The data are used to estimate the cluster binding energies En, using the universal relation, En=(n-1)ΔHn+RTe [ln(Jn/J1)+0.5 ln(n)-α-(ΔSn-ΔS1)/R], derived from basic kinetic and thermodynamic relations. The estimated values agree astonishingly well with values from the literature, varying from published values by at most a few percent. In this equation, Jn is the observed current of n-atom clusters, ΔHn is the heat of vaporization, ΔH1=7.41 eV, and Te ≊0.25 eV (2900 K) is the effective source temperature. The relative change in cluster entropy during sublimation from the solid to vapor phase is approximated to first order by the relation (ΔSn-ΔS1)/R =3.1+0.9(n-2), and is fit to published data for n between 2 and 5 and temperatures between 2000 and 4000 K. The parameter α is empirical, obtained by fitting the data to known binding energies for Cn≤5 clusters. For evaporation sources, α must be zero, but α˜7 when sputtering with Cs+ ions, indicating the sputtered clusters appear to be in thermodynamic equilibrium, but not the atoms. Several possible mechanisms for the formation of clusters during sputtering are examined. One plausible mechanism is that atoms diffuse on the graphite surface to form clusters which are then desorbed by energetic, recoil atoms created in subsequent sputtering events.

Accelerating three-dimensional FDTD calculations on GPU clusters for electromagnetic field simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2012-01-01

Electromagnetic simulation with anatomically realistic computational human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the computational human model, we adapt three-dimensional FDTD code to a multi-GPU cluster environment with Compute Unified Device Architecture and Message Passing Interface. Our multi-GPU cluster system consists of three nodes. The seven GPU boards (NVIDIA Tesla C2070) are mounted on each node. We examined the performance of the FDTD calculation on multi-GPU cluster environment. We confirmed that the FDTD calculation on the multi-GPU clusters is faster than that on a multi-GPU (a single workstation), and we also found that the GPU cluster system calculate faster than a vector supercomputer. In addition, our GPU cluster system allowed us to perform the large-scale FDTD calculation because were able to use GPU memory of over 100 GB.

Efficient Synthesis of Ir-Polyoxometalate Cluster Using a Continuous Flow Apparatus and STM Investigation of Its Coassembly Behavior on HOPG Surface.

PubMed

Zhang, Junyong; Chang, Shaoqing; Suryanto, Bryan H R; Gong, Chunhua; Zeng, Xianghua; Zhao, Chuan; Zeng, Qingdao; Xie, Jingli

2016-06-06

Taking advantage of a continuous-flow apparatus, the iridium(III)-containing polytungstate cluster K12Na2H2[Ir2Cl8P2W20O72]·37H2O (1) was obtained in a reasonable yield (13% based on IrCl3·H2O). Compound 1 was characterized by Fourier transform IR, UV-visible, (31)P NMR, electrospray ionization mass spectrometry (ESI-MS), and thermogravimetric analysis measurements. (31)P NMR, ESI-MS, and elemental analysis all indicated 1 was a new polytungstate cluster compared with the reported K14[(IrCl4)KP2W20O72] compound. Intriguingly, the successful isolation of 1 relied on the custom-built flow apparatus, demonstrating the uniqueness of continuous-flow chemistry to achieve crystalline materials. The catalytic properties of 1 were assessed by investigating the activity on catalyzing the electro-oxidation of ruthenium tris-2,2'-bipyridine [Ru(bpy)3](2+/3+). The voltammetric behavior suggested a coupled catalytic behavior between [Ru(bpy)3](3+/2+) and 1. Furthermore, on the highly oriented pyrolytic graphite surface, 1,3,5-tris(10-carboxydecyloxy) benzene (TCDB) was used as the two-dimensional host network to coassemble cluster 1; the surface morphology was observed by scanning tunneling microscope technique. "S"-shape of 1 was observed, indicating that the cluster could be accommodated in the cavity formed by two TCDB host molecules, leading to a TCDB/cluster binary structure.

Are TiC Grains a Carrier of the 21 Micron Emission Band Observed around Post-Asymptotic Giant Branch Objects?

NASA Astrophysics Data System (ADS)

Chigai, Takeshi; Yamamoto, Tetsuo; Kaito, Chihiro; Kimura, Yuki

2003-04-01

The carrier of the 21 μm band observed in post-asymptotic giant branch (post-AGB) stars is examined. We analyze the infrared spectra of the TiC clusters measured by von Helden et al. in 2000 and determine the absorption efficiency Q in the 21 μm band. Using Q, we estimate the Ti/Si abundance ratios needed to realize the flux ratios of the 21 and 11 μm emission observed in the infrared spectra of the post-AGB stars exhibiting both 21 and 11 μm emission. In view of the nature of the TiC condensation by which TiC grains are quickly mantled by graphite, we calculate the emission spectra of the graphite-coated TiC grains and other possible types of core-mantle grains and compare with the observed spectra. Both the abundance and condensation considerations strongly suggest that TiC is an implausible carrier of the observed infrared 21 μm feature around carbon-rich post-AGB stars.

Reversible cluster formation in concentrated monoclonal antibody solutions

NASA Astrophysics Data System (ADS)

Godfrin, P. Douglas; Porcar, Lionel; Falus, Peter; Zarraga, Isidro; Wagner, Norm; Liu, Yun

2015-03-01

Protein cluster formation in solution is of fundamental interest for both academic research and industrial applications. Recently, industrial scientists are also exploring the effect of reversible cluster formation on biopharmaceutical processing and delivery. However, despite of its importance, the understanding of protein clusters at concentrated solutions remains scientifically very challenging. Using the neutron spin echo technique to study the short time dynamics of proteins in solutions, we have recently systematically studied cluster formation in a few monoclonal antibody (mAb) solutions and their relation with solution viscosity. We show that the existence of anisotropic attraction can cause the formation of finite sized clusters, which increases the solution viscosity. Interestingly, once clusters form at relatively low concentrations, the average size of clusters in solutions remains almost constant over a wide range of concentrations similar to that of micelle formation. For a different mAb we have also investigated, the attraction is mostly induced by hydrophobic patches. As a result, these mAbs form large clusters with loosely linked proteins. In both cases, the formation of clusters all increases the solution viscosity substantially. However, due to different physics origins of cluster formation, solutions viscosities for these two different types of mAbs need to be controlled by different ways.

Formation of high mass carbon cluster ions from laser ablation of polymers and thin carbon films

NASA Astrophysics Data System (ADS)

Creasy, William R.; Brenna, J. T.

1990-02-01

Three materials were studied by laser ablation/Fourier transform mass spectrometry, using 266 nm laser radiation: a copolymer of ethylene and tetrafluoroethylene (ETFE), polyphenylene sulfide (PPS), and a diamond-like carbon film (DLC). In each case, positive ion mass spectra exhibit primarily even-numbered, high mass carbon clusters (``fullerenes'') of the type previously reported for graphite ablation. In the case of ETFE, a large C+60 peak (``buckminsterfullerene'') was observed. The polymer spectra showed a strong dependence on the number of laser pulses on one spot and the laser power density. For ETFE, the fullerene ion relative intensity first increases and then decreases as a function of the number of laser pulses. For the DLC film, fullerenes are observed with a single laser pulse on a fresh spot of the sample. The results are interpreted in terms of a gas phase growth model for the fullerene ion formation.

Observation of structure transition as a function of temperature in depositing hydrogenated sp2-rich carbon films

NASA Astrophysics Data System (ADS)

Wang, Yongfu; Gao, Kaixiong; Zhang, Junyan

2018-05-01

In this study, we carried out the transition experiments of graphite-like (GL) to fullerene-like (FL) structures by placing high temperature steel substrates in the depositing environment which can form FL hydrogenated carbon films. We investigated the changes of bond mixtures, H content, aromatic clusters and internal stress at the transition process, and proposed the transformation mechanism inferred from Raman, TEM cross-section, FTIR and XPS results. It was found that the size of aromatic clusters and accordingly graphene planes and the formation of edge dangling bonds were the key steps. H+ bombardment leaded to the splitting of large graphene planes (at GL stage) into more and smaller planes (at FL stage) and the formation of edge dangling bonds; Some of these dangling bonds were reduced by the formation of pentagons and subsequent curving of the smaller planes, which were an indicator of FL structures.

A Non-Perturbative, Finite Particle Number Approach to Relativistic Scattering Theory

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

Lindesay, James V

2001-05-11

We present integral equations for the scattering amplitudes of three scalar particles, using the Faddeev channel decomposition, which can be readily extended to any finite number of particles of any helicity. The solution of these equations, which have been demonstrated to be calculable, provide a non-perturbative way of obtaining relativistic scattering amplitudes for any finite number of particles that are Lorentz invariant, unitary, cluster decomposable and reduce unambiguously in the non-relativistic limit to the non-relativistic Faddeev equations. The aim of this program is to develop equations which explicitly depend upon physically observable input variables, and do not require ''renormalization'' ormore » ''dressing'' of these parameters to connect them to the boundary states.« less

A model of metastable dynamics during ongoing and evoked cortical activity

NASA Astrophysics Data System (ADS)

La Camera, Giancarlo

The dynamics of simultaneously recorded spike trains in alert animals often evolve through temporal sequences of metastable states. Little is known about the network mechanisms responsible for the genesis of such sequences, or their potential role in neural coding. In the gustatory cortex of alert rates, state sequences can be observed also in the absence of overt sensory stimulation, and thus form the basis of the so-called `ongoing activity'. This activity is characterized by a partial degree of coordination among neurons, sharp transitions among states, and multi-stability of single neurons' firing rates. A recurrent spiking network model with clustered topology can account for both the spontaneous generation of state sequences and the (network-generated) multi-stability. In the model, each network state results from the activation of specific neural clusters with potentiated intra-cluster connections. A mean field solution of the model shows a large number of stable states, each characterized by a subset of simultaneously active clusters. The firing rate in each cluster during ongoing activity depends on the number of active clusters, so that the same neuron can have different firing rates depending on the state of the network. Because of dense intra-cluster connectivity and recurrent inhibition, in finite networks the stable states lose stability due to finite size effects. Simulations of the dynamics show that the model ensemble activity continuously hops among the different states, reproducing the ongoing dynamics observed in the data. Moreover, when probed with external stimuli, the model correctly predicts the quenching of single neuron multi-stability into bi-stability, the reduction of dimensionality of the population activity, the reduction of trial-to-trial variability, and a potential role for metastable states in the anticipation of expected events. Altogether, these results provide a unified mechanistic model of ongoing and evoked cortical dynamics. NSF IIS-1161852, NIDCD K25-DC013557, NIDCD R01-DC010389.

Semiconductor-metal nanostructures: Scanning tunneling microscopy investigation of the fullerene-gold and manganese-germanium-silicon system

NASA Astrophysics Data System (ADS)

Liu, Hui

Nanostructures, assembled from a layer or cluster of atoms with size of the order of nanometers, have attracted much attention for decades, because it has been widely recognized that the properties of nanoscale materials are remarkably different from those of materials of large scale. As one of the most powerful techniques, Scanning Tunneling Microscopy (STM) has become an indispensable technique for studies in nanotechnology. This dissertation is focused on the investigation of the C60-Au system, which is relevant in photovoltaic applications and organic electronic devices, and the Mn-Ge-Si system which is central to the development of advanced spintronics system. The first part of the dissertation focuses on the C60-Au system. Exploring how fullerene molecules interact physically and electronically with each other and with other elements is highly relevant to the advancement of fullerene-based nanotechnology applications. The initial growth stage of C 60 thin film on graphite substrate has been investigated by STM at room temperature. It is observed that the C60 layer grows in a quasi-layer-by-layer mode and forms round 1st layer islands on the graphite surface. The fractal-dendritic growth of the 2nd layer islands has been successfully described by a combination of Monte Carlo simulation and molecular dynamics simulations. As a next step towards the application of fullerenes in device structures, the growth mechanisms of Au clusters on fullerene layers and co-deposition of Au and C60 were explored. The most prominent features of the growth of Au on C60 are the preferential nucleation of Au clusters at the graphite-first fullerene layer islands edge and the co-deposition of C60 and Au on graphite leading to the formation of highly organized structures, in which Au clusters are embedded in a ring of fullerene molecules with a constant width of about 4 nm. The second part of this dissertation concentrates on the Mn-Ge-Si system, a semiconductor/metal system, which is a potential building-block structure for the development of complex spin-electronic devices. In recent years the study of thin film magnetic materials and the doping of semiconductors with magnetically active dopant atoms has received increased attention due their potential applications in magnetic memory devices and spintronics. In particular, the importance of Mn-Ge-Si system emerges since it combines a technically relevant semiconductor surface with a metallic element with a large magnetic moment. The goal in this part is the early growth stage of Mn on a Si (100) 2x1surface, the formation of Mn-nanostructure and the interaction between Mn and Ge on the Si surface. The position of Mn atoms with respect to Si surface has been determined by high resolution STM images. It is found that Mn adatoms form relatively short monoatomic wires, with a typical length of 5 to about 20 atoms, which are oriented perpendicular to the Si-dimer rows. And at the same time, the modification of Si surface around Mn wires was observed. The formation of Mn silicide after annealing the sample was also studied. The stability of Mn wires during the growth of a Ge overlayer was investigated by comparing several STM images, which were taken at different bias voltages. Because of the different local density of states, Mn and Ge may be partially distinguished in STM images. It is turned out that Mn wires preserve their structures after the deposition of a small amount of Ge on the sample. And the growth of Ge at the early stage on Si surface has not been significantly influenced by the presence of Mn adatoms. In summary, an investigation of two semiconductor-metal nanostructures by STM has been reported in this dissertation.

West Virginia US Department of Energy experimental program to stimulate competitive research. Section 2: Human resource development; Section 3: Carbon-based structural materials research cluster; Section 3: Data parallel algorithms for scientific computing

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

Not Available

1994-02-02

This report consists of three separate but related reports. They are (1) Human Resource Development, (2) Carbon-based Structural Materials Research Cluster, and (3) Data Parallel Algorithms for Scientific Computing. To meet the objectives of the Human Resource Development plan, the plan includes K--12 enrichment activities, undergraduate research opportunities for students at the state`s two Historically Black Colleges and Universities, graduate research through cluster assistantships and through a traineeship program targeted specifically to minorities, women and the disabled, and faculty development through participation in research clusters. One research cluster is the chemistry and physics of carbon-based materials. The objective of thismore » cluster is to develop a self-sustaining group of researchers in carbon-based materials research within the institutions of higher education in the state of West Virginia. The projects will involve analysis of cokes, graphites and other carbons in order to understand the properties that provide desirable structural characteristics including resistance to oxidation, levels of anisotropy and structural characteristics of the carbons themselves. In the proposed cluster on parallel algorithms, research by four WVU faculty and three state liberal arts college faculty are: (1) modeling of self-organized critical systems by cellular automata; (2) multiprefix algorithms and fat-free embeddings; (3) offline and online partitioning of data computation; and (4) manipulating and rendering three dimensional objects. This cluster furthers the state Experimental Program to Stimulate Competitive Research plan by building on existing strengths at WVU in parallel algorithms.« less

Main principles of passive devices based on graphene and carbon films in microwave-THz frequency range

NASA Astrophysics Data System (ADS)

Kuzhir, Polina P.; Paddubskaya, Alesia G.; Volynets, Nadezhda I.; Batrakov, Konstantin G.; Kaplas, Tommi; Lamberti, Patrizia; Kotsilkova, Rumiana; Lambin, Philippe

2017-07-01

The ability of thin conductive films, including graphene, pyrolytic carbon (PyC), graphitic PyC (GrPyC), graphene with graphitic islands (GrI), glassy carbon (GC), and sandwich structures made of all these materials separated by polymer slabs to absorb electromagnetic radiation in microwave-THz frequency range, is discussed. The main physical principles making a basis for high absorption ability of these heterostructures are explained both in the language of electromagnetic theory and using representation of equivalent electrical circuits. The idea of using carbonaceous thin films as the main working elements of passive radiofrequency (RF) devices, such as shields, filters, polarizers, collimators, is proposed theoretically and proved experimentally. The important advantage of PyC, GrI, GrPyC, and GC is that, in contrast to graphene, they either can be easily deposited onto a dielectric substrate or are strong enough to allow their transfer from the catalytic substrate without a shuttle polymer layer. This opens a new avenue toward the development of a scalable protocol for cost-efficient production of ultralight electromagnetic shields that can be transferred to commercial applications. A robust design via finite-element method and design of experiment for RF devices based on carbon/graphene films and sandwiches is also discussed in the context of virtual prototyping.

Correlation of Structural Analysis and Test Results for the McDonnell Douglas Stitched/RFI All-Composite Wing Stub Box

NASA Technical Reports Server (NTRS)

Wang, John T.; Jegley, Dawn C.; Bush, Harold G.; Hinrichs, Stephen C.

1996-01-01

The analytical and experimental results of an all-composite wing stub box are presented in this report. The wing stub box, which is representative of an inboard portion of a commercial transport high-aspect-ratio wing, was fabricated from stitched graphite-epoxy material with a Resin Film Infusion manufacturing process. The wing stub box was designed and constructed by the McDonnell Douglas Aerospace Company as part of the NASA Advanced Composites Technology program. The test article contained metallic load-introduction structures on the inboard and outboard ends of the graphite-epoxy wing stub box. The root end of the inboard load introduction structure was attached to a vertical reaction structure, and an upward load was applied to the outermost tip of the outboard load introduction structure to induce bending of the wing stub box. A finite element model was created in which the center portion of the wing-stub-box upper cover panel was modeled with a refined mesh. The refined mesh was required to represent properly the geometrically nonlinear structural behavior of the upper cover panel and to predict accurately the strains in the stringer webs of the stiffened upper cover panel. The analytical and experimental results for deflections and strains are in good agreement.

Simulating the Impact Response of Full-Scale Composite Airframe Structures

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.; Littell, Justin D.; Seal, Michael D.

2012-01-01

NASA Langley Research Center obtained a composite helicopter cabin structure in 2010 from the US Army's Survivable Affordable Repairable Airframe Program (SARAP) that was fabricated by Sikorsky Aircraft Corporation. The cabin had been subjected to a vertical drop test in 2008 to evaluate a tilting roof concept to limit the intrusion of overhead masses into the fuselage cabin. Damage to the cabin test article was limited primarily to the roof. Consequently, the roof area was removed and the remaining structure was cut into test specimens including a large subfloor section and a forward framed fuselage section. In 2011, NASA and Sikorsky entered into a cooperative research agreement to study the impact responses of composite airframe structures and to evaluate the capabilities of the explicit transient dynamic finite element code, LS-DYNA®, to simulate these responses including damage initiation and progressive failure. Most of the test articles were manufactured of graphite unidirectional tape composite with a thermoplastic resin system. However, the framed fuselage section was constructed primarily of a plain weave graphite fabric material with a thermoset resin system. Test data were collected from accelerometers and full-field photogrammetry. The focus of this paper will be to document impact testing and simulation results for the longitudinal impact of the subfloor section and the vertical drop test of the forward framed fuselage section.

Contact behavior modelling and its size effect on proton exchange membrane fuel cell

NASA Astrophysics Data System (ADS)

Qiu, Diankai; Peng, Linfa; Yi, Peiyun; Lai, Xinmin; Janßen, Holger; Lehnert, Werner

2017-10-01

Contact behavior between the gas diffusion layer (GDL) and bipolar plate (BPP) is of significant importance for proton exchange membrane fuel cells. Most current studies on contact behavior utilize experiments and finite element modelling and focus on fuel cells with graphite BPPs, which lead to high costs and huge computational requirements. The objective of this work is to build a more effective analytical method for contact behavior in fuel cells and investigate the size effect resulting from configuration alteration of channel and rib (channel/rib). Firstly, a mathematical description of channel/rib geometry is outlined in accordance with the fabrication of metallic BPP. Based on the interface deformation characteristic and Winkler surface model, contact pressure between BPP and GDL is then calculated to predict contact resistance and GDL porosity as evaluative parameters of contact behavior. Then, experiments on BPP fabrication and contact resistance measurement are conducted to validate the model. The measured results demonstrate an obvious dependence on channel/rib size. Feasibility of the model used in graphite fuel cells is also discussed. Finally, size factor is proposed for evaluating the rule of size effect. Significant increase occurs in contact resistance and porosity for higher size factor, in which channel/rib width decrease.

Impact Testing and Simulation of Composite Airframe Structures

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Littell, Justin D.; Horta, Lucas G.; Annett, Martin S.; Fasanella, Edwin L.; Seal, Michael D., II

2014-01-01

Dynamic tests were performed at NASA Langley Research Center on composite airframe structural components of increasing complexity to evaluate their energy absorption behavior when subjected to impact loading. A second objective was to assess the capabilities of predicting the dynamic response of composite airframe structures, including damage initiation and progression, using a state-of-the-art nonlinear, explicit transient dynamic finite element code, LS-DYNA. The test specimens were extracted from a previously tested composite prototype fuselage section developed and manufactured by Sikorsky Aircraft Corporation under the US Army's Survivable Affordable Repairable Airframe Program (SARAP). Laminate characterization testing was conducted in tension and compression. In addition, dynamic impact tests were performed on several components, including I-beams, T-sections, and cruciform sections. Finally, tests were conducted on two full-scale components including a subfloor section and a framed fuselage section. These tests included a modal vibration and longitudinal impact test of the subfloor section and a quasi-static, modal vibration, and vertical drop test of the framed fuselage section. Most of the test articles were manufactured of graphite unidirectional tape composite with a thermoplastic resin system. However, the framed fuselage section was constructed primarily of a plain weave graphite fabric material with a thermoset resin system. Test data were collected from instrumentation such as accelerometers and strain gages and from full-field photogrammetry.

Effect of dropped plies on the strength of graphite-epoxy laminates

NASA Technical Reports Server (NTRS)

Curry, James M.; Johnson, Eric R.; Starnes, James H., Jr.

1987-01-01

The reduction in the compressive and tensile strengths of graphite-epoxy laminates with thickness discontinuities due to dropped plies was studied by experiment and analysis. The specimens were fabricated with all the dropped plies lumped together in the center of a sixteen-ply quasi-isotropic layup, such that one surface was flat and the slope of the opposite surface changed abruptly at the dropped ply location to accommodate the thickness change. Even though the thick and thin sections are symmetrically laminated, there exists bending-extension coupling due to the geometric eccentricity of the middle planes of the thick and thin sections. Experiments were conducted on fifty-four specimens that differed in the configuration of the dropped plies only. The strength of a laminate with dropped plies is less than the strength of its thin section, and the compressive strength of a laminate with dropped plies is less than its tensile strength. The reduction in strength is directly related to the axial stiffness change between the thick and thin sections. To examine the mechanism of failure, the three-dimensional state of stress in the dropped ply region was evaluated by the finite element method. A tensile interlaminar criterion predicted the correct location of failure, but underestimated the failure load.

Heat Source Characterization In A TREAT Fuel Particle Using Coupled Neutronics Binary Collision Monte-Carlo Calculations

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

Schunert, Sebastian; Schwen, Daniel; Ghassemi, Pedram

This work presents a multi-physics, multi-scale approach to modeling the Transient Test Reactor (TREAT) currently prepared for restart at the Idaho National Laboratory. TREAT fuel is made up of microscopic fuel grains (r ˜ 20µm) dispersed in a graphite matrix. The novelty of this work is in coupling a binary collision Monte-Carlo (BCMC) model to the Finite Element based code Moose for solving a microsopic heat-conduction problem whose driving source is provided by the BCMC model tracking fission fragment energy deposition. This microscopic model is driven by a transient, engineering scale neutronics model coupled to an adiabatic heating model. Themore » macroscopic model provides local power densities and neutron energy spectra to the microscpic model. Currently, no feedback from the microscopic to the macroscopic model is considered. TREAT transient 15 is used to exemplify the capabilities of the multi-physics, multi-scale model, and it is found that the average fuel grain temperature differs from the average graphite temperature by 80 K despite the low-power transient. The large temperature difference has strong implications on the Doppler feedback a potential LEU TREAT core would see, and it underpins the need for multi-physics, multi-scale modeling of a TREAT LEU core.« less

A phase cell cluster expansion for Euclidean field theories

NASA Astrophysics Data System (ADS)

Battle, Guy A., III; Federbush, Paul

1982-08-01

We adapt the cluster expansion first used to treat infrared problems for lattice models (a mass zero cluster expansion) to the usual field theory situation. The field is expanded in terms of special block spin functions and the cluster expansion given in terms of the expansion coefficients (phase cell variables); the cluster expansion expresses correlation functions in terms of contributions from finite coupled subsets of these variables. Most of the present work is carried through in d space time dimensions (for φ24 the details of the cluster expansion are pursued and convergence is proven). Thus most of the results in the present work will apply to a treatment of φ34 to which we hope to return in a succeeding paper. Of particular interest in this paper is a substitute for the stability of the vacuum bound appropriate to this cluster expansion (for d = 2 and d = 3), and a new method for performing estimates with tree graphs. The phase cell cluster expansions have the renormalization group incorporated intimately into their structure. We hope they will be useful ultimately in treating four dimensional field theories.

α clustering with a hollow structure: Geometrical structure of α clusters from platonic solids to fullerene shape

NASA Astrophysics Data System (ADS)

Tohsaki, Akihiro; Itagaki, Naoyuki

2018-01-01

We study α -cluster structure based on the geometric configurations with a microscopic framework, which takes full account of the Pauli principle, and which also employs an effective internucleon force including finite-range three-body terms suitable for microscopic α -cluster models. Here, special attention is focused upon the α clustering with a hollow structure; all the α clusters are put on the surface of a sphere. All the platonic solids (five regular polyhedra) and the fullerene-shaped polyhedron coming from icosahedral structure are considered. Furthermore, two configurations with dual polyhedra, hexahedron-octahedron and dodecahedron-icosahedron, are also scrutinized. When approaching each other from large distances with these symmetries, α clusters create certain local energy pockets. As a consequence, we insist on the possible existence of α clustering with a geometric shape and hollow structure, which is favored from Coulomb energy point of view. Especially, two configurations, that is, dual polyhedra of dodecahedron-icosahedron and fullerene, have a prominent hollow structure compared with the other six configurations.

Proximity effect assisted absorption enhancement in thin film with locally clustered nanoholes.

PubMed

Wu, Shaolong; Zhang, Cheng; Li, Xiaofeng; Zhan, Yaohui

2015-03-01

We focus on the light-trapping characteristics of a thin film with locally clustered nanoholes (NHs), considering that the clustering effect is usually encountered in preparing the nanostructures. Our full-wave finite-element simulation indicates that an intentionally introduced clustering effect could be employed for improving the light-trapping performance of the nanostructured thin film. For a 100 nm thick amorphous silicon film, an optimal clustering design with NH diameter of 100 nm is able to double the integrated optical absorption over the solar spectrum, compared to the planar counterpart, as well as show much improved optical performance over that of the nonclustered setup. A further insight into the underlying physics explains the outstanding light-trapping capability in terms of the increased available modes, a stronger power coupling efficiency, a higher fraction of electric field concentrated in absorbable material, and a higher density of photon states.

Coulomb scatter of diamagnetic dust particles in a cusp magnetic trap under microgravity conditions

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

Myasnikov, M. I., E-mail: miasnikovmi@mail.ru; D’yachkov, L. G.; Petrov, O. F.

2017-02-15

The effect of a dc electric field on strongly nonideal Coulomb systems consisting of a large number (~10{sup 4}) of charged diamagnetic dust particles in a cusp magnetic trap are carried out aboard the Russian segment of the International Space Station (ISS) within the Coulomb Crystal experiment. Graphite particles of 100–400 μm in size are used in the experiments. Coulomb scatter of a dust cluster and the formation of threadlike chains of dust particles are observed experimentally. The processes observed are simulated by the molecular dynamics (MD) method.

The Development of a Finite Volume Method for Modeling Sound in Coastal Ocean Environment

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

Long, Wen; Yang, Zhaoqing; Copping, Andrea E.

: As the rapid growth of marine renewable energy and off-shore wind energy, there have been concerns that the noises generated from construction and operation of the devices may interfere marine animals’ communication. In this research, a underwater sound model is developed to simulate sound prorogation generated by marine-hydrokinetic energy (MHK) devices or offshore wind (OSW) energy platforms. Finite volume and finite difference methods are developed to solve the 3D Helmholtz equation of sound propagation in the coastal environment. For finite volume method, the grid system consists of triangular grids in horizontal plane and sigma-layers in vertical dimension. A 3Dmore » sparse matrix solver with complex coefficients is formed for solving the resulting acoustic pressure field. The Complex Shifted Laplacian Preconditioner (CSLP) method is applied to efficiently solve the matrix system iteratively with MPI parallelization using a high performance cluster. The sound model is then coupled with the Finite Volume Community Ocean Model (FVCOM) for simulating sound propagation generated by human activities in a range-dependent setting, such as offshore wind energy platform constructions and tidal stream turbines. As a proof of concept, initial validation of the finite difference solver is presented for two coastal wedge problems. Validation of finite volume method will be reported separately.« less

Method for producing dustless graphite spheres from waste graphite fines

DOEpatents

Pappano, Peter J [Oak Ridge, TN; Rogers, Michael R [Clinton, TN

2012-05-08

A method for producing graphite spheres from graphite fines by charging a quantity of spherical media into a rotatable cylindrical overcoater, charging a quantity of graphite fines into the overcoater thereby forming a first mixture of spherical media and graphite fines, rotating the overcoater at a speed such that the first mixture climbs the wall of the overcoater before rolling back down to the bottom thereby forming a second mixture of spherical media, graphite fines, and graphite spheres, removing the second mixture from the overcoater, sieving the second mixture to separate graphite spheres, charging the first mixture back into the overcoater, charging an additional quantity of graphite fines into the overcoater, adjusting processing parameters like overcoater dimensions, graphite fines charge, overcoater rotation speed, overcoater angle of rotation, and overcoater time of rotation, before repeating the steps until graphite fines are converted to graphite spheres.

Collapse of Composite Cylinders in Bending

NASA Technical Reports Server (NTRS)

Fuchs, Hannes P.; Starnes, James H., Jr.; Hyer, Michael W.

1998-01-01

This paper summarizes the results of a numerical and experimental study of the collapse behavior of small-scale graphite-epoxy cylindrical shells subjected to overall bending loads, and in one case, an initial internal pressure. Shells with quasi-isotropic and orthotropic inplane stiffness properties are studied. Numerical results from geometrically nonlinear finite element analyses and results from experiments using a specially-built apparatus indicate that extensive stable postbuckling responses occur. Orthotropy influences the buckling values and the extent to which the bending moment decreases after buckling. Material damage is observed to initiate in the vicinity of the nodal lines of the postbuckled deflection patterns. Numerical results indicate that the magnitudes of the shear stress resultants are greatest in these nodal regions. Failure of the internally pressurized cylinder is catastrophic.

Three-dimensional thermal finite element modeling of lithium-ion battery in thermal abuse application

NASA Astrophysics Data System (ADS)

Guo, Guifang; Long, Bo; Cheng, Bo; Zhou, Shiqiong; Xu, Peng; Cao, Binggang

In order to better understand the thermal abuse behavior of high capacities and large power lithium-ion batteries for electric vehicle application, a three-dimensional thermal model has been developed for analyzing the temperature distribution under abuse conditions. The model takes into account the effects of heat generation, internal conduction and convection, and external heat dissipation to predict the temperature distribution in a battery. Three-dimensional model also considers the geometrical features to simulate oven test, which are significant in larger cells for electric vehicle application. The model predictions are compared to oven test results for VLP 50/62/100S-Fe (3.2 V/55 Ah) LiFePO 4/graphite cells and shown to be in great agreement.

Preliminary weight and costs of sandwich panels to distribute concentrated loads

NASA Technical Reports Server (NTRS)

Belleman, G.; Mccarty, J. E.

1976-01-01

Minimum mass honeycomb sandwich panels were sized for transmitting a concentrated load to a uniform reaction through various distances. The form skin gages were fully stressed with a finite element computer code. The panel general stability was evaluated with a buckling computer code labeled STAGS-B. Two skin materials were considered; aluminum and graphite-epoxy. The core was constant thickness aluminum honeycomb. Various panel sizes and load levels were considered. The computer generated data were generalized to allow preliminary least mass panel designs for a wide range of panel sizes and load intensities. An assessment of panel fabrication cost was also conducted. Various comparisons between panel mass, panel size, panel loading, and panel cost are presented in both tabular and graphical form.

Composite theory applied to elastomers

NASA Technical Reports Server (NTRS)

Clark, S. K.

1986-01-01

Reinforced elastomers form the basis for most of the structural or load carrying applications of rubber products. Computer based structural analysis in the form of finite element codes was highly successful in refining structural design in both isotropic materials and rigid composites. This has lead the rubber industry to attempt to make use of such techniques in the design of structural cord-rubber composites. While such efforts appear promising, they were not easy to achieve for several reasons. Among these is a distinct lack of a clearly defined set of material property descriptors suitable for computer analysis. There are substantial differences between conventional steel, aluminum, or even rigid composites such as graphite-epoxy, and textile-cord reinforced rubber. These differences which are both conceptual and practical are discussed.

Physical-depth architectural requirements for generating universal photonic cluster states

NASA Astrophysics Data System (ADS)

Morley-Short, Sam; Bartolucci, Sara; Gimeno-Segovia, Mercedes; Shadbolt, Pete; Cable, Hugo; Rudolph, Terry

2018-01-01

Most leading proposals for linear-optical quantum computing (LOQC) use cluster states, which act as a universal resource for measurement-based (one-way) quantum computation. In ballistic approaches to LOQC, cluster states are generated passively from small entangled resource states using so-called fusion operations. Results from percolation theory have previously been used to argue that universal cluster states can be generated in the ballistic approach using schemes which exceed the critical threshold for percolation, but these results consider cluster states with unbounded size. Here we consider how successful percolation can be maintained using a physical architecture with fixed physical depth, assuming that the cluster state is continuously generated and measured, and therefore that only a finite portion of it is visible at any one point in time. We show that universal LOQC can be implemented using a constant-size device with modest physical depth, and that percolation can be exploited using simple pathfinding strategies without the need for high-complexity algorithms.

Detecting synchronization clusters in multivariate time series via coarse-graining of Markov chains.

PubMed

Allefeld, Carsten; Bialonski, Stephan

2007-12-01

Synchronization cluster analysis is an approach to the detection of underlying structures in data sets of multivariate time series, starting from a matrix R of bivariate synchronization indices. A previous method utilized the eigenvectors of R for cluster identification, analogous to several recent attempts at group identification using eigenvectors of the correlation matrix. All of these approaches assumed a one-to-one correspondence of dominant eigenvectors and clusters, which has however been shown to be wrong in important cases. We clarify the usefulness of eigenvalue decomposition for synchronization cluster analysis by translating the problem into the language of stochastic processes, and derive an enhanced clustering method harnessing recent insights from the coarse-graining of finite-state Markov processes. We illustrate the operation of our method using a simulated system of coupled Lorenz oscillators, and we demonstrate its superior performance over the previous approach. Finally we investigate the question of robustness of the algorithm against small sample size, which is important with regard to field applications.

Sliding states of a soft-colloid cluster crystal: Cluster versus single-particle hopping

NASA Astrophysics Data System (ADS)

Rossini, Mirko; Consonni, Lorenzo; Stenco, Andrea; Reatto, Luciano; Manini, Nicola

2018-05-01

We study a two-dimensional model for interacting colloidal particles which displays spontaneous clustering. Within this model we investigate the competition between the pinning to a periodic corrugation potential and a sideways constant pulling force which would promote a sliding state. For a few sample particle densities and amplitudes of the periodic corrugation potential we investigate the depinning from the statically pinned to the dynamically sliding regime. This sliding state exhibits the competition between a dynamics where entire clusters are pulled from a minimum to the next and a dynamics where single colloids or smaller groups leave a cluster and move across the corrugation energy barrier to join the next cluster downstream in the force direction. Both kinds of sliding states can occur either coherently across the entire sample or asynchronously: the two regimes result in different average mobilities. Finite temperature tends to destroy separate sliding regimes, generating a smoother dependence of the mobility on the driving force.

Finite-Rate Ablation Boundary Conditions for Carbon-Phenolic Heat-Shield

NASA Technical Reports Server (NTRS)

Chen, Y.-K.; Milos, Frank S.

2003-01-01

A formulation of finite-rate ablation surface boundary conditions, including oxidation, nitridation, and sublimation of carbonaceous material with pyrolysis gas injection, has been developed based on surface species mass conservation. These surface boundary conditions are discretized and integrated with a Navier-Stokes solver. This numerical procedure can predict aerothermal heating, chemical species concentration, and carbonaceous material ablation rate over the heatshield surface of re-entry space vehicles. In this study, the gas-gas and gas-surface interactions are established for air flow over a carbon-phenolic heatshield. Two finite-rate gas-surface interaction models are considered in the present study. The first model is based on the work of Park, and the second model includes the kinetics suggested by Zhluktov and Abe. Nineteen gas phase chemical reactions and four gas-surface interactions are considered in the present model. There is a total of fourteen gas phase chemical species, including five species for air and nine species for ablation products. Three test cases are studied in this paper. The first case is a graphite test model in the arc-jet stream; the second is a light weight Phenolic Impregnated Carbon Ablator at the Stardust re-entry peak heating conditions, and the third is a fully dense carbon-phenolic heatshield at the peak heating point of a proposed Mars Sample Return Earth Entry Vehicle. Predictions based on both finite-rate gas- surface interaction models are compared with those obtained using B' tables, which were created based on the chemical equilibrium assumption. Stagnation point convective heat fluxes predicted using Park's finite-rate model are far below those obtained from chemical equilibrium B' tables and Zhluktov's model. Recession predictions from Zhluktov's model are generally lower than those obtained from Park's model and chemical equilibrium B' tables. The effect of species mass diffusion on predicted ablation rate is also examined.

FennoFlakes: a project for identifying flake graphite ores in the Fennoscandian shield and utilizing graphite in different applications

NASA Astrophysics Data System (ADS)

Palosaari, Jenny; Eklund, O.; Raunio, S.; Lindfors, T.; Latonen, R.-M.; Peltonen, J.; Smått, J.-H.; Kauppila, J.; Lund, S.; Sjöberg-Eerola, P.; Blomqvist, R.; Marmo, J.

2016-04-01

Natural graphite is a strategic mineral, since the European Commission stated (Report on critical raw materials for the EU (2014)) that graphite is one of the 20 most critical materials for the European Union. The EU consumed 13% of all flake graphite in the world but produced only 3%, which stresses the demand of the material. Flake graphite, which is a flaky version of graphite, forms under high metamorphic conditions. Flake graphite is important in different applications like batteries, carbon brushes, heat sinks etc. Graphene (a single layer of graphite) can be produced from graphite and is commonly used in many nanotechnological applications, e.g. in electronics and sensors. The steps to obtain pure graphene from graphite ore include fragmentation, flotation and exfoliation, which can be cumbersome and resulting in damaging the graphene layers. We have started a project named FennoFlakes, which is a co-operation between geologists and chemists to fill the whole value chain from graphite to graphene: 1. Exploration of graphite ores (geological and geophysical methods). 2. Petrological and geochemical analyses on the ores. 3. Development of fragmentation methods for graphite ores. 4. Chemical exfoliation of the enriched flake graphite to separate flake graphite into single and multilayer graphene. 5. Test the quality of the produced material in several high-end applications with totally environmental friendly and disposable material combinations. Preliminary results show that flake graphite in high metamorphic areas has better qualities compared to synthetic graphite produced in laboratories.

A Hierarchical Framework for State-Space Matrix Inference and Clustering.

PubMed

Zuo, Chandler; Chen, Kailei; Hewitt, Kyle J; Bresnick, Emery H; Keleş, Sündüz

2016-09-01

In recent years, a large number of genomic and epigenomic studies have been focusing on the integrative analysis of multiple experimental datasets measured over a large number of observational units. The objectives of such studies include not only inferring a hidden state of activity for each unit over individual experiments, but also detecting highly associated clusters of units based on their inferred states. Although there are a number of methods tailored for specific datasets, there is currently no state-of-the-art modeling framework for this general class of problems. In this paper, we develop the MBASIC ( M atrix B ased A nalysis for S tate-space I nference and C lustering) framework. MBASIC consists of two parts: state-space mapping and state-space clustering. In state-space mapping, it maps observations onto a finite state-space, representing the activation states of units across conditions. In state-space clustering, MBASIC incorporates a finite mixture model to cluster the units based on their inferred state-space profiles across all conditions. Both the state-space mapping and clustering can be simultaneously estimated through an Expectation-Maximization algorithm. MBASIC flexibly adapts to a large number of parametric distributions for the observed data, as well as the heterogeneity in replicate experiments. It allows for imposing structural assumptions on each cluster, and enables model selection using information criterion. In our data-driven simulation studies, MBASIC showed significant accuracy in recovering both the underlying state-space variables and clustering structures. We applied MBASIC to two genome research problems using large numbers of datasets from the ENCODE project. The first application grouped genes based on transcription factor occupancy profiles of their promoter regions in two different cell types. The second application focused on identifying groups of loci that are similar to a GATA2 binding site that is functional at its endogenous locus by utilizing transcription factor occupancy data and illustrated applicability of MBASIC in a wide variety of problems. In both studies, MBASIC showed higher levels of raw data fidelity than analyzing these data with a two-step approach using ENCODE results on transcription factor occupancy data.

Exact solutions for mass-dependent irreversible aggregations.

PubMed

Son, Seung-Woo; Christensen, Claire; Bizhani, Golnoosh; Grassberger, Peter; Paczuski, Maya

2011-10-01

We consider the mass-dependent aggregation process (k+1)X→X, given a fixed number of unit mass particles in the initial state. One cluster is chosen proportional to its mass and is merged into one, either with k neighbors in one dimension, or--in the well-mixed case--with k other clusters picked randomly. We find the same combinatorial exact solutions for the probability to find any given configuration of particles on a ring or line, and in the well-mixed case. The mass distribution of a single cluster exhibits scaling laws and the finite-size scaling form is given. The relation to the classical sum kernel of irreversible aggregation is discussed.

Nuclear structure studies performed using the (18O,16O) two-neutron transfer reactions

NASA Astrophysics Data System (ADS)

Carbone, D.; Agodi, C.; Cappuzzello, F.; Cavallaro, M.; Ferreira, J. L.; Foti, A.; Gargano, A.; Lenzi, S. M.; Linares, R.; Lubian, J.; Santagati, G.

2018-02-01

Excitation energy spectra and absolute cross section angular distributions were measured for the 13C(18O,16O)15C two-neutron transfer reaction at 84 MeV incident energy. This reaction selectively populates two-neutron configurations in the states of the residual nucleus. Exact finite-range coupled reaction channel calculations are used to analyse the data. Two approaches are discussed: the extreme cluster and the newly introduced microscopic cluster. The latter makes use of spectroscopic amplitudes in the centre of mass reference frame, derived from shell-model calculations using the Moshinsky transformation brackets. The results describe well the experimental cross section and highlight cluster configurations in the involved wave functions.

Analyses at High Spatial Resolution of Organic Molecules in Extraterrestrial Samples: Two-Step Laser Mass Spectrometry: Search for Polycyclic Aromatic Hydrocarbons in Antarctic Meteorite and Micrometeorite Samples

NASA Technical Reports Server (NTRS)

Zare, Richard N.

1998-01-01

Perhaps the best way to summarize the past three-year grant period is to cite the publications and present a brief synopsis of each: 1. "Indigenous Polycyclic Aromatic Hydrocarbon Molecules in Circumstellar Graphite Grains." Bulk C-12/C-13 isotope ratios observed in some graphite grains extracted from primitive meteorites point strongly to a circumstellar origin. By applying our technique of microprobe two-step laser desorption laser ionization mass spectrometry ((mu)L(sup 2)MS) to individual circumstellar graphite grains we have measured the C-12/C-13 isotope ratio of various polycyclic aromatic hydrocarbons (PAHS) found in these grains. 2. "Deuterium Enrichments in Cluster IDPS," Large enrichments in the D/H isotope ratios in IDPs likely arise from the preservation of presolar molecules. 3. "Evidence for thermalization of surface-disorder molecules at heating rates of 10(exp 8) K/s". A careful study of the ((mu)L(sup 2)MS) of aniline-d(sub 7) from a single-crystal surface (0001) of sapphire (al2O3) shows that all measured properties are consistent with a thermal mechanism for desorption. 4. "Search for past life on Mars; possible relic biogenic activity in Martian meteorite ALH 84001. The authors examined the Martian meteorite ALH 84001 and found several lines of evidence compatible with existence of past primitive (single-cell) life on early Mars. 5. "Microprobe two-step laser mass spectrometry as an analytical tool for meteorite samples". THis paper presents a comprehensive review of (mu)L(sup 2)MS and how this technique can be applied to meteoritic samples. 6. "Indigenous polycyclic aromatic hydrocarbons in circumstellar graphite grains from primitive meteorites". The C-12/C-13 isotope ratios were measured for PAHs in a total of 89 spherical graphite grains. 7. "Observation of indigenous polycyclic aromatic hydrocarbons in "Giant" carbonaceous antarctic micrometeorites." The (mu)L(sup 2)MS method was used to establish the nature and distribution of PAHs in fragments of fifteen (approx. 200 microns) carbonaceous antarctic micrometeorites (AMMs). 8. "Evidence for the extraterrestrial origin of polycyclic aromatic hydrocarbons in the Martian meteorite ALH 84001" We have undertaken additional contamination studies of ALH 84001.

Morphology of clusters of attractive dry and wet self-propelled spherical particle suspensions.

PubMed

Alarcón, Francisco; Valeriani, Chantal; Pagonabarraga, Ignacio

2017-01-25

In order to assess the effect of hydrodynamics in the assembly of active attractive spheres, we simulate a semi-dilute suspension of attractive self-propelled spherical particles in a quasi-two dimensional geometry comparing the case with and without hydrodynamics interactions. To start with, independent of the presence of hydrodynamics, we observe that depending on the ratio between attraction and propulsion, particles either coarsen or aggregate forming finite-size clusters. Focusing on the clustering regime, we characterize two different cluster parameters, i.e. their morphology and orientational order, and compare the case when active particles behave either as pushers or pullers (always in the regime where inter-particle attractions compete with self-propulsion). Studying cluster phases for squirmers with respect to those obtained for active Brownian disks (indicated as ABPs), we have shown that hydrodynamics alone can sustain a cluster phase of active swimmers (pullers), while ABPs form cluster phases due to the competition between attraction and self-propulsion. The structural properties of the cluster phases of squirmers and ABPs are similar, although squirmers show sensitivity to active stresses. Active Brownian disks resemble weakly pusher squirmer suspensions in terms of cluster size distribution, structure of the radius of gyration on the cluster size and degree of cluster polarity.

Structures formed by a cell membrane-associated arabinogalactan-protein on graphite or mica alone and with Yariv phenylglycosides

PubMed Central

Zhou, Li Hong; Weizbauer, Renate A.; Singamaneni, Srikanth; Xu, Feng; Genin, Guy M.; Pickard, Barbara G.

2014-01-01

Background Certain membrane-associated arabinogalactan-proteins (AGPs) with lysine-rich sub-domains participate in plant growth, development and resistance to stress. To complement fluorescence imaging of such molecules when tagged and introduced transgenically to the cell periphery and to extend the groundwork for assessing molecular structure, some behaviours of surface-spread AGPs were visualized at the nanometre scale in a simplified electrostatic environment. Methods Enhanced green fluorescent protein (EGFP)-labelled LeAGP1 was isolated from Arabidopsis thaliana leaves using antibody-coated magnetic beads, deposited on graphite or mica, and examined with atomic force microscopy (AFM). Key Results When deposited at low concentration on graphite, LeAGP can form independent clusters and rings a few nanometres in diameter, often defining deep pits; the aperture of the rings depends on plating parameters. On mica, intermediate and high concentrations, respectively, yielded lacy meshes and solid sheets that could dynamically evolve arcs, rings, ‘pores’ and ‘co-pores’, and pits. Glucosyl Yariv reagent combined with the AGP to make very large and distinctive rings. Conclusions Diverse cell-specific nano-patterns of native lysine-rich AGPs are expected at the wall–membrane interface and, while there will not be an identical patterning in different environmental settings, AFM imaging suggests protein tendencies for surficial organization and thus opens new avenues for experimentation. Nanopore formation with Yariv reagents suggests how the reagent might bind with AGP to admit Ca2+ to cells and hints at ways in which AGP might be structured at some cell surfaces. PMID:25164699

Voronoi-Tessellated Graphite Produced by Low-Temperature Catalytic Graphitization from Renewable Resources.

PubMed

Zhao, Leyi; Zhao, Xiuyun; Burke, Luke T; Bennett, J Craig; Dunlap, Richard A; Obrovac, Mark N

2017-09-11

A highly crystalline graphite powder was prepared from the low temperature (800-1000 °C) graphitization of renewable hard carbon precursors using a magnesium catalyst. The resulting graphite particles are composed of Voronoi-tessellated regions comprising irregular sheets; each Voronoi-tessellated region having a small "seed" particle located near their centroid on the surface. This suggests nucleated outward growth of graphitic carbon, which has not been previously observed. Each seed particle consists of a spheroidal graphite shell on the inside of which hexagonal graphite platelets are perpendicularly affixed. This results in a unique high surface area graphite with a high degree of graphitization that is made with renewable feedstocks at temperatures far below that conventionally used for artificial graphites. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Self-assembled clusters of spheres related to spherical codes.

PubMed

Phillips, Carolyn L; Jankowski, Eric; Marval, Michelle; Glotzer, Sharon C

2012-10-01

We consider the thermodynamically driven self-assembly of spheres onto the surface of a central sphere. This assembly process forms self-limiting, or terminal, anisotropic clusters (N-clusters) with well-defined structures. We use Brownian dynamics to model the assembly of N-clusters varying in size from two to twelve outer spheres and free energy calculations to predict the expected cluster sizes and shapes as a function of temperature and inner particle diameter. We show that the arrangements of outer spheres at finite temperatures are related to spherical codes, an ideal mathematical sequence of points corresponding to the densest possible sphere packings. We demonstrate that temperature and the ratio of the diameters of the inner and outer spheres dictate cluster morphology. We present a surprising result for the equilibrium structure of a 5-cluster, for which the square pyramid arrangement is preferred over a more symmetric structure. We show this result using Brownian dynamics, a Monte Carlo simulation, and a free energy approximation. Our results suggest a promising way to assemble anisotropic building blocks from constituent colloidal spheres.

Constraints on Shear Wave Velocity Heterogeneity and Anisotropy in D' from Finite-Frequency Differential Traveltime Residual Analysis

NASA Astrophysics Data System (ADS)

Liao, T.; Hung, S.; Andrad, E. D.; Liu, Q.

2013-12-01

The D'' region which lies in the lowermost ~250 km of the mantle has long been postulated as a major thermo-chemical boundary layer in the earth's dynamic evolution, where the upwelling plumes most likely originate and the downwelling cold slabs terminate. Numerous seismological investigations have found seismically distinct features, revealing the presence of both strong velocity heterogeneity and anisotropy near the core-mantle boundary. In recent years, the rapid growth of broadband seismograph array data and the advent of array processing methods and finite-frequency wave theory hold great promise for improving global coverage of seismic constraints for refinement of the details and complexity of the D' structure. In this study, we collect all recorded and available broadband waveforms from earthquakes with epicentral distances of 40-145o and magnitudes greater than 5.8 during 2002-2012. A cluster analysis (Houser at al. 2008) is then adopted to simultaneously group the seismic phases of interest with similar waveforms together as clusters and measure relative traveltime shifts between them in the same cluster by waveform cross correlation. We construct a dataset of differential traveltime residuals from composite phases, S(Sdiff), SKS, SKKS, ScS and multiply-reflected ScS phases commonly used to constrain both elastic wave speed heterogeneity and anisotropy in the lowermost mantle. While the splitting of Sdiff phases between the vertically (SV) and transversely (SH) polarized components after correcting for upper mantle anisotropy constrained by SKS/SKKS splitting has been identified as evidence for seismic anisotropy in the D' layer, distinct difference in finite-frequency sensitivity for SVdiff and SHdiff waves may lead to apparent splitting in the isotropic heterogeneous earth (Komatitsch et al. 2010). Finite-frequency sensitivity kernels for measured Sdiff traveltime anomalies, constructed with the interactions of forward and adjoint wavefields accurately calculated by a numerical spectral element method, will be utilized to investigate their contribution to the observed splitting times between the SH and SV components and characterize the inherent elastic anisotropy in D'.

Influence of Metal-Coated Graphite Powders on Microstructure and Properties of the Bronze-Matrix/Graphite Composites

NASA Astrophysics Data System (ADS)

Zhao, Jian-hua; Li, Pu; Tang, Qi; Zhang, Yan-qing; He, Jian-sheng; He, Ke

2017-02-01

In this study, the bronze-matrix/x-graphite (x = 0, 1, 3 and 5%) composites were fabricated by powder metallurgy route by using Cu-coated graphite, Ni-coated graphite and pure graphite, respectively. The microstructure, mechanical properties and corrosive behaviors of bronze/Cu-coated-graphite (BCG), bronze/Ni-coated-graphite (BNG) and bronze/pure-graphite (BPG) were characterized and investigated. Results show that the Cu-coated and Ni-coated graphite could definitely increase the bonding quality between the bronze matrix and graphite. In general, with the increase in graphite content in bronze-matrix/graphite composites, the friction coefficients, ultimate density and wear rates of BPG, BCG and BNG composites all went down. However, the Vickers microhardness of the BNG composite would increase as the graphite content increased, which was contrary to the BPG and BCG composites. When the graphite content was 3%, the friction coefficient of BNG composite was more stable than that of BCG and BPG composites, indicating that BNG composite had a better tribological performance than the others. Under all the values of applied loads (10, 20, 40 and 60N), the BCG and BNG composites exhibited a lower wear rate than BPG composite. What is more, the existence of nickel in graphite powders could effectively improve the corrosion resistance of the BNG composite.

Producing graphite with desired properties

NASA Technical Reports Server (NTRS)

Dickinson, J. M.; Imprescia, R. J.; Reiswig, R. D.; Smith, M. C.

1971-01-01

Isotropic or anisotropic graphite is synthesized with precise control of particle size, distribution, and shape. The isotropic graphites are nearly perfectly isotropic, with thermal expansion coefficients two or three times those of ordinary graphites. The anisotropic graphites approach the anisotropy of pyrolytic graphite.

Brazing graphite to graphite

DOEpatents

Peterson, George R.

1976-01-01

Graphite is joined to graphite by employing both fine molybdenum powder as the brazing material and an annealing step that together produce a virtually metal-free joint exhibiting properties similar to those found in the parent graphite. Molybdenum powder is placed between the faying surfaces of two graphite parts and melted to form molybdenum carbide. The joint area is thereafter subjected to an annealing operation which diffuses the carbide away from the joint and into the graphite parts. Graphite dissolved by the dispersed molybdenum carbide precipitates into the joint area, replacing the molybdenum carbide to provide a joint of virtually graphite.

Anharmonic effects in the quantum cluster equilibrium method

NASA Astrophysics Data System (ADS)

von Domaros, Michael; Perlt, Eva

2017-03-01

The well-established quantum cluster equilibrium (QCE) model provides a statistical thermodynamic framework to apply high-level ab initio calculations of finite cluster structures to macroscopic liquid phases using the partition function. So far, the harmonic approximation has been applied throughout the calculations. In this article, we apply an important correction in the evaluation of the one-particle partition function and account for anharmonicity. Therefore, we implemented an analytical approximation to the Morse partition function and the derivatives of its logarithm with respect to temperature, which are required for the evaluation of thermodynamic quantities. This anharmonic QCE approach has been applied to liquid hydrogen chloride and cluster distributions, and the molar volume, the volumetric thermal expansion coefficient, and the isobaric heat capacity have been calculated. An improved description for all properties is observed if anharmonic effects are considered.

Finite temperature properties of clusters by replica exchange metadynamics: the water nonamer.

PubMed

Zhai, Yingteng; Laio, Alessandro; Tosatti, Erio; Gong, Xin-Gao

2011-03-02

We introduce an approach for the accurate calculation of thermal properties of classical nanoclusters. On the basis of a recently developed enhanced sampling technique, replica exchange metadynamics, the method yields the true free energy of each relevant cluster structure, directly sampling its basin and measuring its occupancy in full equilibrium. All entropy sources, whether vibrational, rotational anharmonic, or especially configurational, the latter often forgotten in many cluster studies, are automatically included. For the present demonstration, we choose the water nonamer (H(2)O)(9), an extremely simple cluster, which nonetheless displays a sufficient complexity and interesting physics in its relevant structure spectrum. Within a standard TIP4P potential description of water, we find that the nonamer second relevant structure possesses a higher configurational entropy than the first, so that the two free energies surprisingly cross for increasing temperature.

Finite Temperature Properties of Clusters by Replica Exchange Metadynamics: The Water Nonamer

NASA Astrophysics Data System (ADS)

Zhai, Yingteng; Laio, Alessandro; Tosatti, Erio; Gong, Xingao

2012-02-01

We introduce an approach for the accurate calculation of thermal properties of classical nanoclusters. Based on a recently developed enhanced sampling technique, replica exchange metadynamics, the method yields the true free energy of each relevant cluster structure, directly sampling its basin and measuring its occupancy in full equilibrium. All entropy sources, whether vibrational, rotational anharmonic and especially configurational -- the latter often forgotten in many cluster studies -- are automatically included. For the present demonstration we choose the water nonamer (H2O)9, an extremely simple cluster which nonetheless displays a sufficient complexity and interesting physics in its relevant structure spectrum. Within a standard TIP4P potential description of water, we find that the nonamer second relevant structure possesses a higher configurational entropy than the first, so that the two free energies surprisingly cross for increasing temperature.

Method of Joining Graphite Fibers to a Substrate

NASA Technical Reports Server (NTRS)

Beringer, Durwood M. (Inventor); Caron, Mark E. (Inventor); Taddey, Edmund P. (Inventor); Gleason, Brian P. (Inventor)

2014-01-01

A method of assembling a metallic-graphite structure includes forming a wetted graphite subassembly by arranging one or more layers of graphite fiber material including a plurality of graphite fibers and applying a layer of metallization material to ends of the plurality of graphite fibers. At least one metallic substrate is secured to the wetted graphite subassembly via the layer of metallization material.

Mixture Modeling: Applications in Educational Psychology

ERIC Educational Resources Information Center

Harring, Jeffrey R.; Hodis, Flaviu A.

2016-01-01

Model-based clustering methods, commonly referred to as finite mixture modeling, have been applied to a wide variety of cross-sectional and longitudinal data to account for heterogeneity in population characteristics. In this article, we elucidate 2 such approaches: growth mixture modeling and latent profile analysis. Both techniques are…

Neutrino masses, neutrino oscillations, and cosmological implications

NASA Technical Reports Server (NTRS)

Stecker, F. W.

1982-01-01

Theoretical concepts and motivations for considering neutrinos having finite masses are discussed and the experimental situation on searches for neutrino masses and oscillations is summarized. The solar neutrino problem, reactor, deep mine and accelerator data, tri decay experiments and double beta-decay data are considered and cosmological implications and astrophysical data relating to neutrino masses are reviewed. The neutrino oscillation solution to the solar neutrino problem, the missing mass problem in galaxy halos and galaxy cluster galaxy formation and clustering, and radiative neutrino decay and the cosmic ultraviolet background radiation are examined.

Correlation buildup during recrystallization in three-dimensional dusty plasma clusters

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

Schella, André; Mulsow, Matthias; Melzer, André

2014-05-15

The recrystallization process of finite three-dimensional dust clouds after laser heating is studied experimentally. The time-dependent Coulomb coupling parameter is presented, showing that the recrystallization starts with an exponential cooling phase where cooling is slower than damping by the neutral gas friction. At later times, the coupling parameter oscillates into equilibrium. It is found that a large fraction of cluster states after recrystallization experiments is in metastable states. The temporal evolution of the correlation buildup shows that correlation occurs on even slower time scale than cooling.

The mechanics of delamination in fiber-reinforced composite materials. II - The delamination behavior and fracture mechanics parameters

NASA Technical Reports Server (NTRS)

Wang, S. S.; Choi, I.

1983-01-01

Based on theories of laminate anisotropic elasticity and interlaminar fracture, the complete solution structure associated with a composite delamination is determined. Fracture mechanics parameters characterizing the interlaminar crack behavior are defined from asymptotic stress solutions for delaminations with different crack-tip deformation configurations. A numerical method employing singular finite elements is developed to study delaminations in fiber composites with any arbitrary combinations of lamination, material, geometric, and crack variables. The special finite elements include the exact delamination stress singularity in its formulation. The method is shown to be computationally accurate and efficient, and operationally simple. To illustrate the basic nature of composite delamination, solutions are shown for edge-delaminated (0/-0/-0/0) and (+ or - 0/+ or - 0/90/90 deg) graphite-epoxy systems under uniform axial extension. Three-dimensional crack-tip stress intensity factors, associated energy release rates, and delamination crack-closure are determined for each individual case. The basic mechanics and mechanisms of composite delamination are studied, and fundamental characteristics unique to recently proposed tests for interlaminar fracture toughness of fiber composite laminates are examined. Previously announced in STAR as N84-13222

The quest for inorganic fullerenes

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

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.

2015-10-02

Experimental results of the search for inorganic fullerenes are presented. Mo nS m - and W nS m - clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. Moreover, the species in the first maximum at low mass are known to be platelets. The structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy,more » and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Likewise, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.« less

The quest for inorganic fullerenes

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

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.

2015-10-07

Experimental results of the search for inorganic fullerenes are presented. Mo{sub n}S{sub m}{sup −} and W{sub n}S{sub m}{sup −} clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, andmore » scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.« less

Thermally exfoliated graphite oxide

NASA Technical Reports Server (NTRS)

Prud'Homme, Robert K. (Inventor); Aksay, Ilhan A. (Inventor); Abdala, Ahmed (Inventor)

2011-01-01

A modified graphite oxide material contains a thermally exfoliated graphite oxide with a surface area of from about 300 sq m/g to 2600 sq m/g, wherein the thermally exfoliated graphite oxide displays no signature of the original graphite and/or graphite oxide, as determined by X-ray diffraction.

Observation of small cluster formation in concentrated monoclonal antibody solutions and its implications to solution viscosity.

PubMed

Yearley, Eric J; Godfrin, Paul D; Perevozchikova, Tatiana; Zhang, Hailiang; Falus, Peter; Porcar, Lionel; Nagao, Michihiro; Curtis, Joseph E; Gawande, Pradad; Taing, Rosalynn; Zarraga, Isidro E; Wagner, Norman J; Liu, Yun

2014-04-15

Monoclonal antibodies (mAbs) are a major class of biopharmaceuticals. It is hypothesized that some concentrated mAb solutions exhibit formation of a solution phase consisting of reversibly self-associated aggregates (or reversible clusters), which is speculated to be responsible for their distinct solution properties. Here, we report direct observation of reversible clusters in concentrated solutions of mAbs using neutron spin echo. Specifically, a stable mAb solution is studied across a transition from dispersed monomers in dilute solution to clustered states at more concentrated conditions, where clusters of a preferred size are observed. Once mAb clusters have formed, their size, in contrast to that observed in typical globular protein solutions, is observed to remain nearly constant over a wide range of concentrations. Our results not only conclusively establish a clear relationship between the undesirable high viscosity of some mAb solutions and the formation of reversible clusters with extended open structures, but also directly observe self-assembled mAb protein clusters of preferred small finite size similar to that in micelle formation that dominate the properties of concentrated mAb solutions. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

The action of macrosounds on graphite ore and derived products

NASA Technical Reports Server (NTRS)

Bradeteanu, C.; Dragan, O.

1974-01-01

A suspension of graphite ore, floated graphite, and the gangue left over from flotation were subjected to the action of macrosounds under determinant conditions. The following was found: (1) The graphite ore undergoes an efficient settling action. (2) The floated graphite is strongly crushed down to the dimensions of colloidal graphite. (3) The gangue left over from flotation can be further processed to recuperate graphite from its nuclei.

Graphene prepared by thermal reduction–exfoliation of graphite oxide: Effect of raw graphite particle size on the properties of graphite oxide and graphene

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

Dao, Trung Dung; Jeong, Han Mo, E-mail: hmjeong@mail.ulsan.ac.kr

Highlights: • Effect of raw graphite particle size on properties of GO and graphene is reported. • Size of raw graphite affects oxidation degree and chemical structure of GO. • Highly oxidized GO results in small-sized but well-exfoliated graphene. • GO properties affect reduction degree, structure, and conductivity of graphene. - Abstract: We report the effect of raw graphite size on the properties of graphite oxide and graphene prepared by thermal reduction–exfoliation of graphite oxide. Transmission electron microscope analysis shows that the lateral size of graphene becomes smaller when smaller size graphite is used. X-ray diffraction analysis confirms that graphitemore » with smaller size is more effectively oxidized, resulting in a more effective subsequent exfoliation of the obtained graphite oxide toward graphene. X-ray photoelectron spectroscopy demonstrates that reduction of the graphite oxide derived from smaller size graphite into graphene is more efficient. However, Raman analysis suggests that the average size of the in-plane sp{sup 2}-carbon domains on graphene is smaller when smaller size graphite is used. The enhanced reduction degree and the reduced size of sp{sup 2}-carbon domains contribute contradictively to the electrical conductivity of graphene when the particle size of raw graphite reduces.« less

Enhanced performance of graphite anode materials by AlF3 coating for lithium-ion batteries

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

Ding, Fei; Xu, Wu; Choi, Daiwon

2012-04-27

In order to form the stable surface film and to further enhance the long-term cycling stability of the graphite anodes of lithium-ion batteries, the surface of graphite powders has been modified by AlF3 coating through chemical precipitation method. The AlF3-coated graphite shows no evident changes in the bulk structure and a thin AlF3-coating layer of about 2 nm thick is found to uniformly cover the graphite particles with 2 wt% AlF3 content. However, it delivers a higher initial discharge capacity and largely improved rate performances compared to the pristine graphite. Remarkably, AlF3 coated graphite demonstrated a much better cycle life.more » After 300 cycles, AlF3 coated graphite and uncoated graphite show capacity retention of 92% and 81%, respectively. XPS measurement shows that a more conductive solid electrode interface (SEI) layer was formed on AlF3 coated graphite as compared to uncoated graphite. SEM monograph also reveals that the AlF3-coated graphite particles have a much more stable surface morphology after long-term cycling. Therefore, the improved electrochemical performance of AlF3 coated graphite can be attributed to a more stable and conductive SEI formed on coated graphite anode during cycling process.« less

Graphite

USGS Publications Warehouse

Robinson, Gilpin R.; Hammarstrom, Jane M.; Olson, Donald W.; Schulz, Klaus J.; DeYoung,, John H.; Seal, Robert R.; Bradley, Dwight C.

2017-12-19

Graphite is a form of pure carbon that normally occurs as black crystal flakes and masses. It has important properties, such as chemical inertness, thermal stability, high electrical conductivity, and lubricity (slipperiness) that make it suitable for many industrial applications, including electronics, lubricants, metallurgy, and steelmaking. For some of these uses, no suitable substitutes are available. Steelmaking and refractory applications in metallurgy use the largest amount of produced graphite; however, emerging technology uses in large-scale fuel cell, battery, and lightweight high-strength composite applications could substantially increase world demand for graphite.Graphite ores are classified as “amorphous” (microcrystalline), and “crystalline” (“flake” or “lump or chip”) based on the ore’s crystallinity, grain-size, and morphology. All graphite deposits mined today formed from metamorphism of carbonaceous sedimentary rocks, and the ore type is determined by the geologic setting. Thermally metamorphosed coal is the usual source of amorphous graphite. Disseminated crystalline flake graphite is mined from carbonaceous metamorphic rocks, and lump or chip graphite is mined from veins in high-grade metamorphic regions. Because graphite is chemically inert and nontoxic, the main environmental concerns associated with graphite mining are inhalation of fine-grained dusts, including silicate and sulfide mineral particles, and hydrocarbon vapors produced during the mining and processing of ore. Synthetic graphite is manufactured from hydrocarbon sources using high-temperature heat treatment, and it is more expensive to produce than natural graphite.Production of natural graphite is dominated by China, India, and Brazil, which export graphite worldwide. China provides approximately 67 percent of worldwide output of natural graphite, and, as the dominant exporter, has the ability to set world prices. China has significant graphite reserves, and China’s graphite production is expected to increase, although rising labor costs and some mine production problems are developing. China is expected to continue to be the dominant exporter for the near future. Mexico and Canada export graphite mainly to the United States, which has not had domestic production of natural graphite since the 1950s. Most graphite deposits in the United States are too small, low-grade, or remote to be of commercial value in the near future, and the likelihood of discovering larger, higher-grade, or favorably located domestic deposits is unlikely. The United States is a major producer of synthetic graphite.

Oxidation-Based Continuous Laser Writing in Vertical Nano-Crystalline Graphite Thin Films

PubMed Central

Loisel, Loïc; Florea, Ileana; Cojocaru, Costel-Sorin; Tay, Beng Kang; Lebental, Bérengère

2016-01-01

Nano and femtosecond laser writing are becoming very popular techniques for patterning carbon-based materials, as they are single-step processes enabling the drawing of complex shapes without photoresist. However, pulsed laser writing requires costly laser sources and is known to cause damages to the surrounding material. By comparison, continuous-wave lasers are cheap, stable and provide energy at a more moderate rate. Here, we show that a continuous-wave laser may be used to pattern vertical nano-crystalline graphite thin films with very few macroscale defects. Moreover, a spatially resolved study of the impact of the annealing to the crystalline structure and to the oxygen ingress in the film is provided: amorphization, matter removal and high oxygen content at the center of the beam; sp2 clustering and low oxygen content at its periphery. These data strongly suggest that amorphization and matter removal are controlled by carbon oxidation. The simultaneous occurrence of oxidation and amorphization results in a unique evolution of the Raman spectra as a function of annealing time, with a decrease of the I(D)/I(G) values but an upshift of the G peak frequency. PMID:27194181

The Effects of Fracture Origin Size on Fatigue Properties of Ductile Cast Iron with Small Chill Structures

NASA Astrophysics Data System (ADS)

Sameshima, Daigo; Nakamura, Takashi; Horikawa, Noritaka; Oguma, Hiroyuki; Endo, Takeshi

Reducing the weight of a machine structure is an increasingly important consideration both for the conservation of resources during production and for the energy saving during operation. With these objectives in mind, thin-walled ductile cast iron has recently been developed. Because rapid cooling could result in brittle microstructure of cementite (chill) in this cast iron, it is necessary to investigate the effect of cementite on the fatigue properties. Therefore, fatigue tests were carried out on a ductile cast iron of block castings which contained a relatively small amount of cementite. Fracture surface observation indicated that the fracture origins were located at graphite clusters and cast shrinkage porosity, not at cementite. It appears that when the size of the cementite is smaller than that of the graphite, the cementite does not affect the fatigue properties of ductile cast iron. Not surprisingly, the fatigue lives were found to increase with decrease in the size of the fatigue fracture origin. The threshold initial stress intensity factor range ΔKini,th for fatigue failure was found to be about 3-4MPa√m, independent of microstructure.

Oxidation-Based Continuous Laser Writing in Vertical Nano-Crystalline Graphite Thin Films

NASA Astrophysics Data System (ADS)

Loisel, Loïc; Florea, Ileana; Cojocaru, Costel-Sorin; Tay, Beng Kang; Lebental, Bérengère

2016-05-01

Nano and femtosecond laser writing are becoming very popular techniques for patterning carbon-based materials, as they are single-step processes enabling the drawing of complex shapes without photoresist. However, pulsed laser writing requires costly laser sources and is known to cause damages to the surrounding material. By comparison, continuous-wave lasers are cheap, stable and provide energy at a more moderate rate. Here, we show that a continuous-wave laser may be used to pattern vertical nano-crystalline graphite thin films with very few macroscale defects. Moreover, a spatially resolved study of the impact of the annealing to the crystalline structure and to the oxygen ingress in the film is provided: amorphization, matter removal and high oxygen content at the center of the beam; sp2 clustering and low oxygen content at its periphery. These data strongly suggest that amorphization and matter removal are controlled by carbon oxidation. The simultaneous occurrence of oxidation and amorphization results in a unique evolution of the Raman spectra as a function of annealing time, with a decrease of the I(D)/I(G) values but an upshift of the G peak frequency.

Evaluation of Cadmium Ratio and Foil Activation Measurements for a Beryllium-Reflected Assembly of U(93.15)O 2 Fuel Rods (1.506-cm Triangular Pitch)

DOE PAGES

Marshall, Margaret A.

2014-11-04

A series of small, compact critical assembly (SCCA) experiments were completed from 1962 to 1965 at Oak Ridge National Laboratory’s Critical Experiments Facility (ORCEF) in support of the Medium-Power Reactor Experiments (MPRE) program. Initial experiments, performed in November and December of 1962, consisted of a core of un-moderated stainless-steel tubes, each containing 26 UOIdaho National Laboratory (INL), Idaho Falls, ID (United States) fuel pellets, surrounded by a graphite reflector. Measurements were performed to determine critical reflector arrangements, fission-rate distributions, and cadmium ratio distributions. The graphite reflectors were then changed to beryllium reflectors. For the beryllium reflected assemblies, the fuel wasmore » in 1.506-cm-triangular and 7-tube clusters leading to two critical configurations. Once the critical configurations had been achieved, various measurements of reactivity, relative axial and radial activation rates of 235U, and cadmium ratios were performed. The cadmium ratio, reactivity, and activation rate measurements, performed on the 1.506-cm-array critical configuration, have been evaluated and are described in this paper.« less

Strategic graphite, a survey

USGS Publications Warehouse

Cameron, Eugene N.; Weis, Paul L.

1960-01-01

Strategic graphite consists of certain grades of lump and flake graphite for which the United States is largely or entirely dependent on sources abroad. Lump graphite of high purity, necessary in the manufacture of carbon brushes, is imported from Ceylon, where it occurs in vein deposits. Flake graphite, obtained from deposits consisting of graphite disseminated in schists and other metamorphic rocks, is an essential ingredient of crucibles used in the nonferrous metal industries and in the manufacture of lubricants and packings. High-quality flake graphite for these uses has been obtained mostly from Madagascar since World War I. Some flake graphite of strategic grade has been produced, however, from deposits in Texas, Alabama, and Pennsylvania. The development of the carbon-bonded crucible, which does not require coarse flake, should lessen the competitive advantage of the Madagascar producers of crucible flake. Graphite of various grades has been produced intermittently in the United States since 1644. The principal domestic deposits of flake graphite are in Texas, Alabama, Pennsylvania, and New York. Reserves of flake graphite in these four States are very large, but production has been sporadic and on the whole unprofitable since World War I, owing principally to competition from producers in Madagascar. Deposits in Madagascar are large and relatively high in content of flake graphite. Production costs are low and the flake produced is of high quality. Coarseness of flake and uniformity of the graphite products marketed are cited as major advantages of Madagascar flake. In addition, the usability of Madagascar flake for various purposes has been thoroughly demonstrated, whereas the usability of domestic flake for strategic purposes is still in question. Domestic graphite deposits are of five kinds: deposits consisting of graphite disseminated in metamorphosed siliceous sediments, deposits consisting of graphite disseminated in marble, deposits formed by thermal or dynamothermal metamorphism of coal beds or other highly carbonaceous sediments, vein deposits, and contact metasomatic deposits in marble. Only the first kind comprises deposits sufficiently large and rich in flake graphite to be significant potential sources of strategic grades of graphite. Vein deposits in several localities are known, but none is known to contain substantial reserves of graphite of strategic quality.Large resources of flake graphite exist in central Texas, in northeastern Alabama, in eastern Pennsylvania, and in the eastern Adirondack Mountains of New York. Tonnages available, compared with the tonnages of flake graphite consumed annually in the United States, are very large. There have been indications that flake graphite from Texas, Alabama, and Pennsylvania can be used in clay-graphite crucibles as a substitute for Madagascar flake, and one producer has made progress in establishing markets for his flake products as ingredients of lubricants. The tonnages of various commercial grades of graphite recoverable from various domestic deposits, however, have not been established; hence, the adequacy of domestic resources of graphite in a time of emergency is not known.The only vein deposits from which significant quantities of lump graphite have been produced are those of the Crystal Graphite mine, Beaverhead County, Mont. The deposits are fracture fillings in Precambrian gneiss and pegmatite. Known reserves in the deposits are small. In Texas, numerous flake-graphite deposits occur in the Precambrian Packsaddle schist in Llano and Burnet Counties. Graphite disseminated in certain parts of this formation ranges from extremely fine to medium grained. The principal producer has been the mine of the Southwestern Graphite Co., west of the town of Burnet. Substantial reserves of medium-grained graphite are present in the deposit mined by the company. In northeastern Alabama, flake-graphite deposits occur in the Ashland mica schist in two belts that trend northeastward across Clay, Goosa, and Chilton Counties. The northeastern belt has been the most productive. About 40 mines have been operated at one time or another, but only a few have been active during or since World War I. The deposits consist of flake graphite disseminated in certain zones or "leads" consisting of quartz-mica-feldspar schists and mica quartzite. Most of past production has come from the weathered upper parts of the deposits, but unweathered rock has been mined at several localities. Reserves of weathered rock containing 3 to 5 percent graphite are very large, and reserves of unweathered rock are even greater. Flake graphite deposits in Chester County, Pa., have been worked intermittently since about 1890. The deposits consist of medium- to coarse-grained graphite disseminated in certain belts of the Pickering gneiss. The most promising deposit is one worked in the Benjamin Franklin and the Eynon Just mines. Reserves of weathered rock containing 1.5 percent graphite are of moderate size; reserves of unweathered rock are large. In the eastern Adirondack Mountains in New York there are two principal kinds of flake-graphite deposits: contact-metasomatic deposits and those consisting of flake graphite disseminated in quartz schist. The contact-metasomatic deposits are small, irregular, and very erratic in graphite content. The deposits in quartz schist are very large, persistent, and uniform in grade. There are large reserves of schist containing 3 to 5 percent graphite, but the graphite is relatively fine grained.

CMB-13 research on carbon and graphite

NASA Technical Reports Server (NTRS)

Smith, M. C.

1972-01-01

Preliminary results of the research on carbon and graphite accomplished during this report period are presented. Included are: particle characteristics of Santa Maria fillers, compositions and density data for hot-molded Santa Maria graphites, properties of hot-molded Santa Maria graphites, and properties of hot-molded anisotropic graphites. Ablation-resistant graphites are also discussed.

METHOD OF FABRICATING A GRAPHITE MODERATED REACTOR

DOEpatents

Kratz, H.R.

1963-05-01

S>A nuclear reactor formed of spaced bodies of uranium and graphite blocks is improved by diffusing helium through the graphite blocks in order to replace the air in the pores of the graphite with helium. The helium-impregnated graphite conducts heat better, and absorbs neutrons less, than the original air- impregnated graphite. (AEC)

Global optimization of small bimetallic Pd-Co binary nanoalloy clusters: a genetic algorithm approach at the DFT level.

PubMed

Aslan, Mikail; Davis, Jack B A; Johnston, Roy L

2016-03-07

The global optimisation of small bimetallic PdCo binary nanoalloys are systematically investigated using the Birmingham Cluster Genetic Algorithm (BCGA). The effect of size and composition on the structures, stability, magnetic and electronic properties including the binding energies, second finite difference energies and mixing energies of Pd-Co binary nanoalloys are discussed. A detailed analysis of Pd-Co structural motifs and segregation effects is also presented. The maximal mixing energy corresponds to Pd atom compositions for which the number of mixed Pd-Co bonds is maximised. Global minimum clusters are distinguished from transition states by vibrational frequency analysis. HOMO-LUMO gap, electric dipole moment and vibrational frequency analyses are made to enable correlation with future experiments.

On One-Dimensional Stretching Functions for Finite-Difference Calculations

NASA Technical Reports Server (NTRS)

Vinokur, M.

1980-01-01

The class of one dimensional stretching function used in finite difference calculations is studied. For solutions containing a highly localized region of rapid variation, simple criteria for a stretching function are derived using a truncation error analysis. These criteria are used to investigate two types of stretching functions. One is an interior stretching function, for which the location and slope of an interior clustering region are specified. The simplest such function satisfying the criteria is found to be one based on the inverse hyperbolic sine. The other type of function is a two sided stretching function, for which the arbitrary slopes at the two ends of the one dimensional interval are specified. The simplest such general function is found to be one based on the inverse tangent. The general two sided function has many applications in the construction of finite difference grids.

Diamond Nucleation of Surfaces Using Carbon Clusters

DTIC Science & Technology

1993-05-01

8217 den lotafC 0, OAF e ol (*(.Pt 01If CZ.,,C :A 4 C.d,^; flt.0"$ j .n to, thl 0..eftC TO 440?.NqtOn -44sca.’lie’l eon Ofttlo tt 0( tl O Af~tO o0V614...is used to keep the sample in place. The cap is made of either graphite, quartz, or boron nitride depending on the particular experiment. In this...John, P., Alvarez, M.M., Diederich, F., and Whetten, R.L., J. Phys. Chem. in press (1991). 40 44. Zhang, Q.L., 0’ Brien , S.C., Heath, J.R., Liu, Y

Metallocarbohedrenes: Transmission Electron Microscopy of Mass Gated Deposits

NASA Astrophysics Data System (ADS)

Castleman, M. E. Lyn, Jr.

2002-03-01

Titanium and zirconium Met-Car cluster ions have been detected from the direct laser vaporization of metal-graphite mixtures using time-of-flight mass spectrometry. Optimization of the production conditions enabled sufficient intensities to mass select and deposit Met-Cars on surfaces. High-resolution transmission electron microscopy images of mass gated Met-Car species reveals deposited nanocrystals 2 nm in diameter. Diffraction patterns indicate the presence of multiple species and shows that the deposits have spatial orientation. Lattice parameters have been extracted. The implication of the findings will be discussed. Support for the work has been from the AFOSR F49620-01-1-0122.

AGC-2 Irradiation Report

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

Rohrbaugh, David Thomas; Windes, William; Swank, W. David

The Next Generation Nuclear Plant (NGNP) will be a helium-cooled, very high temperature reactor (VHTR) with a large graphite core. In past applications, graphite has been used effectively as a structural and moderator material in both research and commercial high temperature gas cooled reactor (HTGR) designs.[ , ] Nuclear graphite H 451, used previously in the United States for nuclear reactor graphite components, is no longer available. New nuclear graphites have been developed and are considered suitable candidates for the new NGNP reactor design. To support the design and licensing of NGNP core components within a commercial reactor, a completemore » properties database must be developed for these current grades of graphite. Quantitative data on in service material performance are required for the physical, mechanical, and thermal properties of each graphite grade with a specific emphasis on data related to the life limiting effects of irradiation creep on key physical properties of the NGNP candidate graphites. Based on experience with previous graphite core components, the phenomenon of irradiation induced creep within the graphite has been shown to be critical to the total useful lifetime of graphite components. Irradiation induced creep occurs under the simultaneous application of high temperatures, neutron irradiation, and applied stresses within the graphite components. Significant internal stresses within the graphite components can result from a second phenomenon—irradiation induced dimensional change. In this case, the graphite physically changes i.e., first shrinking and then expanding with increasing neutron dose. This disparity in material volume change can induce significant internal stresses within graphite components. Irradiation induced creep relaxes these large internal stresses, thus reducing the risk of crack formation and component failure. Obviously, higher irradiation creep levels tend to relieve more internal stress, thus allowing the components longer useful lifetimes within the core. Determining the irradiation creep rates of nuclear grade graphites is critical for determining the useful lifetime of graphite components and is a major component of the Advanced Graphite Creep (AGC) experiment.« less

Stable dispersions of polymer-coated graphitic nanoplatelets

NASA Technical Reports Server (NTRS)

Nguyen, Sonbinh T. (Inventor); Stankovich, Sasha (Inventor); Ruoff, Rodney S. (Inventor)

2011-01-01

A method of making a dispersion of reduced graphite oxide nanoplatelets involves providing a dispersion of graphite oxide nanoplatelets and reducing the graphite oxide nanoplatelets in the dispersion in the presence of a reducing agent and a polymer. The reduced graphite oxide nanoplatelets are reduced to an extent to provide a higher C/O ratio than graphite oxide. A stable dispersion having polymer-treated reduced graphite oxide nanoplatelets dispersed in a dispersing medium, such as water or organic liquid is provided. The polymer-treated, reduced graphite oxide nanoplatelets can be distributed in a polymer matrix to provide a composite material.

Structural disorder of graphite and implications for graphite thermometry

NASA Astrophysics Data System (ADS)

Kirilova, Martina; Toy, Virginia; Rooney, Jeremy S.; Giorgetti, Carolina; Gordon, Keith C.; Collettini, Cristiano; Takeshita, Toru

2018-02-01

Graphitization, or the progressive maturation of carbonaceous material, is considered an irreversible process. Thus, the degree of graphite crystallinity, or its structural order, has been calibrated as an indicator of the peak metamorphic temperatures experienced by the host rocks. However, discrepancies between temperatures indicated by graphite crystallinity versus other thermometers have been documented in deformed rocks. To examine the possibility of mechanical modifications of graphite structure and the potential impacts on graphite thermometry, we performed laboratory deformation experiments. We sheared highly crystalline graphite powder at normal stresses of 5 and 25 megapascal (MPa) and aseismic velocities of 1, 10 and 100 µm s-1. The degree of structural order both in the starting and resulting materials was analyzed by Raman microspectroscopy. Our results demonstrate structural disorder of graphite, manifested as changes in the Raman spectra. Microstructural observations show that brittle processes caused the documented mechanical modifications of the aggregate graphite crystallinity. We conclude that the calibrated graphite thermometer is ambiguous in active tectonic settings.

Living Clusters and Crystals from Low-Density Suspensions of Active Colloids

NASA Astrophysics Data System (ADS)

Mognetti, B. M.; Šarić, A.; Angioletti-Uberti, S.; Cacciuto, A.; Valeriani, C.; Frenkel, D.

2013-12-01

Recent studies aimed at investigating artificial analogs of bacterial colonies have shown that low-density suspensions of self-propelled particles confined in two dimensions can assemble into finite aggregates that merge and split, but have a typical size that remains constant (living clusters). In this Letter, we address the problem of the formation of living clusters and crystals of active particles in three dimensions. We study two systems: self-propelled particles interacting via a generic attractive potential and colloids that can move toward each other as a result of active agents (e.g., by molecular motors). In both cases, fluidlike “living” clusters form. We explain this general feature in terms of the balance between active forces and regression to thermodynamic equilibrium. This balance can be quantified in terms of a dimensionless number that allows us to collapse the observed clustering behavior onto a universal curve. We also discuss how active motion affects the kinetics of crystal formation.

Cluster Tails for Critical Power-Law Inhomogeneous Random Graphs

NASA Astrophysics Data System (ADS)

van der Hofstad, Remco; Kliem, Sandra; van Leeuwaarden, Johan S. H.

2018-04-01

Recently, the scaling limit of cluster sizes for critical inhomogeneous random graphs of rank-1 type having finite variance but infinite third moment degrees was obtained in Bhamidi et al. (Ann Probab 40:2299-2361, 2012). It was proved that when the degrees obey a power law with exponent τ \\in (3,4), the sequence of clusters ordered in decreasing size and multiplied through by n^{-(τ -2)/(τ -1)} converges as n→ ∞ to a sequence of decreasing non-degenerate random variables. Here, we study the tails of the limit of the rescaled largest cluster, i.e., the probability that the scaling limit of the largest cluster takes a large value u, as a function of u. This extends a related result of Pittel (J Combin Theory Ser B 82(2):237-269, 2001) for the Erdős-Rényi random graph to the setting of rank-1 inhomogeneous random graphs with infinite third moment degrees. We make use of delicate large deviations and weak convergence arguments.

Analysis of local delaminations caused by angle ply matrix cracks

NASA Technical Reports Server (NTRS)

Salpekar, Satish A.; Obrien, T. Kevin; Shivakumar, K. N.

1993-01-01

Two different families of graphite/epoxy laminates with similar layups but different stacking sequences, (0,theta,-theta) sub s and (-theta/theta/0) sub s were analyzed using three-dimensional finite element analysis for theta = 15 and 30 degrees. Delaminations were modeled in the -theta/theta interface, bounded by a matrix crack and the stress free edge. The total strain energy release rate, G, along the delamination front was computed using three different techniques: the virtual crack closure technique (VCCT), the equivalent domain Integral (EDI) technique, and a global energy balance technique. The opening fracture mode component of the strain energy release rate, Gl, along the delamination front was also computed for various delamination lengths using VCCT. The effect of residual thermal and moisture stresses on G was evaluated.

Transverse Coefficient of Thermal Expansion Measurements of Carbon Fibers Using ESEM at High Temperatures

NASA Technical Reports Server (NTRS)

Ochoa, O.; Jiang, J.; Putnam, D.; Lo, Z.; Ellis, A.; Effinger, Michael

2003-01-01

The transverse coefficient of thermal expansion (CTE) of single IM7, T1000, and P55 carbon fibers are measured at elevated temperatures. The specimens are prepared by press-fitting fiber tows into 0.7mm-diameter cavity in a graphite disk of 5mm in diameter and 3mm high. The specimens are placed on a crucible in an ESEM, and images of the fiber cross section are taken as the fibers are heated up to 800 C. Holding time, heating and cool down cycles are also introduced. The geometrical changes are measured using a graphics tablet. The change in area/perimeter is calculated to determine the strain and transverse CTE for each fiber. In a complimentary computational effort, displacements and stresses are calculated with finite element models.

Modeling of the Multiparameter Inverse Task of Transient Thermography

NASA Technical Reports Server (NTRS)

Plotnikov, Y. A.

1998-01-01

Transient thermography employs preheated surface temperature variations caused by delaminations, cracks, voids, corroded regions, etc. Often, it is enough to detect these changes to declare a defect in a workpiece. It is also desirable to obtain additional information about the defect from the thermal response. The planar size, depth, and thermal resistance of the detected defects are the parameters of interest. In this paper a digital image processing technique is applied to simulated thermal responses in order to obtain the geometry of the inclusion-type defects in a flat panel. A three-dimensional finite difference model in Cartesian coordinates is used for the numerical simulations. Typical physical properties of polymer graphite composites are assumed. Using different informative parameters of the thermal response for depth estimation is discussed.

Delamination growth in composite materials

NASA Technical Reports Server (NTRS)

Gillespie, J. W., Jr.; Carlsson, L. A.; Pipes, R. B.; Rothschilds, R.; Trethewey, B.; Smiley, A.

1986-01-01

The Double Cantilever Beam (DCB) and the End Notched Flexure (ENF) specimens are employed to characterize MODE I and MODE II interlaminar fracture resistance of graphite/epoxy (CYCOM 982) and graphite/PEEK (APC2) composites. Sizing of test specimen geometries to achieve crack growth in the linear elastic regime is presented. Data reduction schemes based upon beam theory are derived for the ENF specimen and include the effects of shear deformation and friction between crack surfaces on compliance, C, and strain energy release rate, G sub II. Finite element (FE) analyses of the ENF geometry including the contact problem with friction are presented to assess the accuracy of beam theory expressions for C and G sub II. Virtual crack closure techniques verify that the ENF specimen is a pure Mode II test. Beam theory expressions are shown to be conservative by 20 to 40 percent for typical unidirectional test specimen geometries. A FE parametric study investigating the influence of delamination length and depth, span, thickness and material properties on G sub II is presented. Mode I and II interlaminar fracture test results are presented. Important experimental parameters are isolated, such as precracking techniques, rate effects, and nonlinear load-deflection response. It is found that subcritical crack growth and inelastic materials behavior, responsible for the observed nonlinearities, are highly rate-dependent phenomena with high rates generally leading to linear elastic response.

Analysis of delamination in cross-ply laminates initiating from impact induced matrix cracking

NASA Technical Reports Server (NTRS)

Salpekar, S. A.

1993-01-01

Two-dimensional finite element analyses of (02/90(8)/02) glass/epoxy and graphite/epoxy composite laminates were performed to investigate some of the characteristics of damage development due to an impact load. A cross section through the thickness of the laminate with fixed ends, and carrying a transverse load in the center, was analyzed. Inclined matrix cracks, such as those produced by a low-velocity impact, were modeled in the 90 deg ply group. The introduction of the matrix cracks caused large interlaminar tensile and shear stresses in the vicinity of both crack tips in the 0/90 and 90/0 interfaces, indicating that matrix cracking may give rise to delamination. The ratio of Mode I to total strain energy release rate, G(I)/G(total), at the beginning of delamination, calculated at the two (top and bottom) matrix crack tips was 60 and 28 percent, respectively, in the glass/epoxy laminate. The corresponding ratio was 97 and 77 percent in the graphite/epoxy laminate. Thus, a significant Mode I component of strain energy release rate may be present at the delamination initiation due to an impact load. The value of strain energy release rate at either crack tip increased due to an increase in the delamination length at the other crack tip and may give rise to an unstable delamination growth under constant load.

International strategic minerals inventory summary report; natural graphite

USGS Publications Warehouse

Krauss, U.H.; Schmidt, H.W.; Taylor, H.A.; Sutphin, D.M.

1989-01-01

Natural graphite is a crystalline mineral of pure carbon which normally occurs in the form of platelet-shaped crystals. It has important properties, such as chemical inertness, low thermal expansion, and lubricity, that make it almost irreplaceable for certain uses such as refractories and steelmaking. Graphite ore types are crystalline (flake and lump} or 'amorphous' (cryptocrystalline}. Refractory applications use the largest total amount of natural graphite, while the most important use of crystalline graphite is in crucibles for handling molten metals. All graphite deposits being mined today are found in the following metamorphic environments: (1) contact metamorphosed coal generally is a source of amorphous graphite; (2)disseminated crystalline flake graphite comes from syngenetic metasediments; and (3) crystalline lump graphite is found in epigenetic veins in high-grade metamorphic regions. Graphite may also occur as a trace mineral in ultrabasic rocks and pegmatites, but these are economically insignificant. The world's identified economically exploitable resources of crystalline graphite in major deposits are estimated to be about 9.7 million metric tons of concentrate. In-place resources of amorphous graphite are about 11.5 million metric tons. Of these, less than 2 percent of the crystalline ore and less than 1 percent of the amorphous ore are in western industrial countries. World mining production of natural graphite rose from 347,000 metric tons in 1973 to 659,000 metric tons in 1986, while the proportion produced by central economy countries increased from about 50 percent for the period from 1973 to 1978 to more than 64 percent in 1979 to 1986. It is estimated that crystalline flake graphite accounts for at least 180,000 metric tons of total annual world mining production of natural graphite, and amorphous graphite makes up the rest.

Flexure fatigue testing of 90 deg graphite/epoxy composites

NASA Technical Reports Server (NTRS)

Peck, Ann Nancy W.

1995-01-01

A great deal of research has been performed characterizing the in-plane fiber-dominated properties, under both static and fatigue loading, of advanced composite materials. To the author's knowledge, no study has been performed to date investigating fatigue characteristics in the transverse direction. This information is important in the design of bonded composite airframe structure where repeated, cyclic out-of-plane bending may occur. Recent tests characterizing skin/stringer debond failures in reinforced composite panels where the dominant loading in the skin is flexure along the edge of the frame indicate failure initiated either in the skin or else the flange, near the flange tip. When failure initiated in the skin, transverse matrix cracks formed in the surface skin ply closest to the flange and either initiated delaminations or created matrix cracks in the next lower ply, which in turn initiated delaminations. When failure initiated in the flanges, transverse cracks formed in the flange angle ply closest to the skin and initiated delamination. In no configuration did failure propagate through the adhesive bond layer. For the examined skin/flange configurations, the maximum transverse tension stress at failure correlates very well with the transverse tension strength of the composites. Transverse tension strength (static) data of graphite epoxy composites have been shown to vary with the volume of material stressed. As the volume of material stressed increased, the strength decreased. A volumetric scaling law based on Weibull statistics can be used to predict the transverse strength measurements. The volume dependence reflects the presence of inherent flaws in the microstructure of the lamina. A similar approach may be taken to determine a volume scale effect on the transverse tension fatigue behavior of graphite/epoxy composites. The objective of this work is to generate transverse tension strength and fatigue S-N characteristics for composite materials using 3-point flexure tests of 90 deg graphite/epoxy specimens. Investigations will include the volume scale effect as well as frequency and span-to-thickness ratio effects. Prior to the start of the experimental study, an analytical study using finite element modeling will be performed to investigate the span-to-thickness effect. The ratio of transverse flexure stress to shear stress will be monitored and its values predicted by the FEM analysis compared with the value obtained using a 'strength of materials' based approach.

WE-AB-BRB-01: Development of a Probe-Format Graphite Calorimeter for Practical Clinical Dosimetry: Numerical Design Optimization, Prototyping, and Experimental Proof-Of-Concept

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

Renaud, J; Seuntjens, J; Sarfehnia, A

2015-06-15

Purpose: In this work, the feasibility of performing absolute dose to water measurements using a constant temperature graphite probe calorimeter (GPC) in a clinical environment is established. Methods: A numerical design optimization study was conducted by simulating the heat transfer in the GPC resulting from irradiation using a finite element method software package. The choice of device shape, dimensions, and materials was made to minimize the heat loss in the sensitive volume of the GPC. The resulting design, which incorporates a novel aerogel-based thermal insulator, and 15 temperature sensitive resistors capable of both Joule heating and measuring temperature, was constructedmore » in house. A software based process controller was developed to stabilize the temperatures of the GPC’s constituent graphite components to within a few 10’s of µK. This control system enables the GPC to operate in either the quasi-adiabatic or isothermal mode, two well-known, and independent calorimetry techniques. Absorbed dose to water measurements were made using these two methods under standard conditions in a 6 MV 1000 MU/min photon beam and subsequently compared against TG-51 derived values. Results: Compared to an expected dose to water of 76.9 cGy/100 MU, the average GPC-measured doses were 76.5 ± 0.5 and 76.9 ± 0.5 cGy/100 MU for the adiabatic and isothermal modes, respectively. The Monte Carlo calculated graphite to water dose conversion was 1.013, and the adiabatic heat loss correction was 1.003. With an overall uncertainty of about 1%, the most significant contributions were the specific heat capacity (type B, 0.8%) and the repeatability (type A, 0.6%). Conclusion: While the quasi-adiabatic mode of operation had been validated in previous work, this is the first time that the GPC has been successfully used isothermally. This proof-of-concept will serve as the basis for further study into the GPC’s application to small fields and MRI-linac dosimetry. This work has been supported in part by the CREATE Medical Physics Research Training Network of the Natural Sciences and Engineering Research Council (NSERC) grant 432290, NSERC grants RGPIN 298191 & 435608-13, Canadian Institutes of Health Research doctoral scholarship GSD-121793. This work has also been supported by Sun Nuclear Corporation.« less

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

Setyawan, Wahyu; Nandipati, Giridhar; Kurtz, Richard J.

The stability of tungsten self-interstitial atom (SIA) clusters is studied using first-principles methods. Clusters from one to seven SIAs are systematically explored from 1264 unique configurations. Finite-size effect of the simulation cell is corrected based on the scaling of formation energy versus inverse volume cell. Furthermore, the accuracy of the calculations is improved by treating the 5p semicore states as valence states. Configurations of the three most stable clusters in each cluster size n are presented, which consist of parallel [111] dumbbells. The evolution of these clusters leading to small dislocation loops is discussed. The binding energy of size-n clustersmore » is analyzed relative to an n → (n-1) + 1 dissociation and is shown to increase with size. Extrapolation for n > 7 is presented using a dislocation loop model. In addition, the interaction of these clusters with a substitutional Re, Os, or Ta solute is explored by replacing one of the dumbbells with the solute. Re and Os strongly attract these clusters, but Ta strongly repels. The strongest interaction is found when the solute is located on the periphery of the cluster rather than in the middle. The magnitude of this interaction decreases with cluster size. Empirical fits to describe the trend of the solute binding energy are presented.« less

First assembly times and equilibration in stochastic coagulation-fragmentation

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

D’Orsogna, Maria R.; Department of Mathematics, CSUN, Los Angeles, California 91330-8313; Lei, Qi

2015-07-07

We develop a fully stochastic theory for coagulation and fragmentation (CF) in a finite system with a maximum cluster size constraint. The process is modeled using a high-dimensional master equation for the probabilities of cluster configurations. For certain realizations of total mass and maximum cluster sizes, we find exact analytical results for the expected equilibrium cluster distributions. If coagulation is fast relative to fragmentation and if the total system mass is indivisible by the mass of the largest allowed cluster, we find a mean cluster-size distribution that is strikingly broader than that predicted by the corresponding mass-action equations. Combinations ofmore » total mass and maximum cluster size under which equilibration is accelerated, eluding late-stage coarsening, are also delineated. Finally, we compute the mean time it takes particles to first assemble into a maximum-sized cluster. Through careful state-space enumeration, the scaling of mean assembly times is derived for all combinations of total mass and maximum cluster size. We find that CF accelerates assembly relative to monomer kinetic only in special cases. All of our results hold in the infinite system limit and can be only derived from a high-dimensional discrete stochastic model, highlighting how classical mass-action models of self-assembly can fail.« less

Distributed Similarity based Clustering and Compressed Forwarding for wireless sensor networks.

PubMed

Arunraja, Muruganantham; Malathi, Veluchamy; Sakthivel, Erulappan

2015-11-01

Wireless sensor networks are engaged in various data gathering applications. The major bottleneck in wireless data gathering systems is the finite energy of sensor nodes. By conserving the on board energy, the life span of wireless sensor network can be well extended. Data communication being the dominant energy consuming activity of wireless sensor network, data reduction can serve better in conserving the nodal energy. Spatial and temporal correlation among the sensor data is exploited to reduce the data communications. Data similar cluster formation is an effective way to exploit spatial correlation among the neighboring sensors. By sending only a subset of data and estimate the rest using this subset is the contemporary way of exploiting temporal correlation. In Distributed Similarity based Clustering and Compressed Forwarding for wireless sensor networks, we construct data similar iso-clusters with minimal communication overhead. The intra-cluster communication is reduced using adaptive-normalized least mean squares based dual prediction framework. The cluster head reduces the inter-cluster data payload using a lossless compressive forwarding technique. The proposed work achieves significant data reduction in both the intra-cluster and the inter-cluster communications, with the optimal data accuracy of collected data. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

STM-electroluminescence from clustered C3N4 nanodomains synthesized via green chemistry process.

PubMed

Andrade, E P; Costa, B B A; Chaves, C R; de Paula, A M; Cury, L A; Malachias, A; Safar, G A M

2018-01-01

A Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and synchrotron X-ray diffraction study on clustered C 3 N 4 nanoparticles (nanoflakes) is conducted on green-chemistry synthesized samples obtained from chitosan through high power sonication. Morphological aspects and the electronic characteristics are investigated. The observed bandgap of the nanoflakes reveals the presence of different phases in the material. Combining STM morphology, STS spectra and X-ray diffraction (XRD) results one finds that the most abundant phase is graphitic C 3 N 4 . A high density of defects is inferred from the XRD measurements. Additionally, STM-electroluminescence (STMEL) is detected in C 3 N 4 nanoflakes deposited on a gold substrate. The tunneling current creates photons that are three times more energetic than the tunneling electrons of the STM sample. We ponder about the two most probable models to explain the observed photon emission energy: either a nonlinear optical phenomenon or a localized state emission. Copyright © 2017 Elsevier B.V. All rights reserved.

Stability and migration of large oxygen clusters in UO(2+x): density functional theory calculations.

PubMed

Andersson, D A; Espinosa-Faller, F J; Uberuaga, B P; Conradson, S D

2012-06-21

Using ab initio molecular dynamics simulations and nudged elastic band calculations we examine the finite temperature stability, transition pathways, and migration mechanisms of large oxygen clusters in UO(2+x). Here we specifically consider the recently proposed split quad-interstitial and cuboctahedral oxygen clusters. It is shown that isolated cuboctahedral clusters may transform into more stable configurations that are closely linked to the split quad-interstitial. The split quad-interstitial is stable with respect to single interstitials occupying the empty octahedral holes of the UO(2) lattice. In order to better understand discrepancies between theory and experiments, the simulated atomic pair distribution functions for the split quad-interstitial structures are analyzed with respect to the distribution function for U(4)O(9) previously obtained from neutron diffraction data. Our nudged elastic band calculations suggest that the split quad-interstitial may migrate by translating one of its constituent di-interstitial clusters via a barrier that is lower than the corresponding barrier for individual interstitials, but higher than the barrier for the most stable di-interstitial cluster.

The quantum structure of anionic hydrogen clusters

NASA Astrophysics Data System (ADS)

Calvo, F.; Yurtsever, E.

2018-03-01

A flexible and polarizable interatomic potential has been developed to model hydrogen clusters interacting with one hydrogen anion, (H2)nH-, in a broad range of sizes n = 1-54 and parametrized against coupled cluster quantum chemical calculations. Using path-integral molecular dynamics simulations at 1 K initiated from the putative classical global minima, the equilibrium structures are found to generally rely on icosahedral shells with the hydrogen molecules pointing toward the anion, producing geometric magic numbers at sizes n = 12, 32, and 44 that are in agreement with recent mass spectrometry measurements. The energetic stability of the clusters is also connected with the extent of vibrational delocalization, measured here by the fluctuations among inherent structures hidden in the vibrational wave function. As the clusters grow, the outer molecules become increasingly free to rotate, and strong finite size effects are also found between magic numbers, associated with more prominent vibrational delocalization. The effective icosahedral structure of the 44-molecule cluster is found to originate from quantum nuclear effects as well, the classical structure showing no particular symmetry.

Conformationally averaged vertical detachment energy of finite size NO3(-)·nH2O clusters: a route connecting few to many.

PubMed

Pathak, Arup Kumar; Samanta, Alok Kumar; Maity, Dilip Kumar

2011-04-07

We report conformationally averaged VDEs (VDE(w)(n)) for different sizes of NO(3)(-)·nH(2)O clusters calculated by using uncorrelated HF, correlated hybrid density functional (B3LYP, BHHLYP) and correlated ab intio (MP2 and CCSD(T)) theory. It is observed that the VDE(w)(n) at the B3LYP/6-311++G(d,p), B3LYP/Aug-cc-Pvtz and CCSD(T)/6-311++G(d,p) levels is very close to the experimentally measured VDE. It is shown that the use of calculated results of the conformationally averaged VDE for small-sized solvated negatively-charged clusters and a microscopic theory-based general expression for the same provides a route to obtain the VDE for a wide range of cluster sizes, including bulk.

Unsupervised color image segmentation using a lattice algebra clustering technique

NASA Astrophysics Data System (ADS)

Urcid, Gonzalo; Ritter, Gerhard X.

2011-08-01

In this paper we introduce a lattice algebra clustering technique for segmenting digital images in the Red-Green- Blue (RGB) color space. The proposed technique is a two step procedure. Given an input color image, the first step determines the finite set of its extreme pixel vectors within the color cube by means of the scaled min-W and max-M lattice auto-associative memory matrices, including the minimum and maximum vector bounds. In the second step, maximal rectangular boxes enclosing each extreme color pixel are found using the Chebychev distance between color pixels; afterwards, clustering is performed by assigning each image pixel to its corresponding maximal box. The two steps in our proposed method are completely unsupervised or autonomous. Illustrative examples are provided to demonstrate the color segmentation results including a brief numerical comparison with two other non-maximal variations of the same clustering technique.

Evaluation of co-cokes from bituminous coal with vacuum resid or decant oil, and evaluation of anthracites, as precursors to graphite

NASA Astrophysics Data System (ADS)

Nyathi, Mhlwazi S.

2011-12-01

Graphite is utilized as a neutron moderator and structural component in some nuclear reactor designs. During the reactor operaction the structure of graphite is damaged by collision with fast neutrons. Graphite's resistance to this damage determines its lifetime in the reactor. On neutron irradiation, isotropic or near-isotropic graphite experiences less structural damage than anisotropic graphite. The degree of anisotropy in a graphite artifact is dependent on the structure of its precursor coke. Currently, there exist concerns over a short supply of traditional precursor coke, primarily due to a steadily increasing price of petroleum. The main goal of this study was to study the anisotropic and isotropic properties of graphitized co-cokes and anthracites as a way of investigating the possibility of synthesizing isotropic or near-isotropic graphite from co-cokes and anthracites. Demonstrating the ability to form isotropic or near-isotropic graphite would mean that co-cokes and anthracites have a potential use as filler material in the synthesis of nuclear graphite. The approach used to control the co-coke structure was to vary the reaction conditions. Co-cokes were produced by coking 4:1 blends of vacuum resid/coal and decant oil/coal at temperatures of 465 and 500 °C for reaction times of 12 and 18 hours under autogenous pressure. Co-cokes obtained were calcined at 1420 °C and graphitized at 3000 °C for 24 hours. Optical microscopy, X-ray diffraction, temperature-programmed oxidation and Raman spectroscopy were used to characterize the products. It was found that higher reaction temperature (500 °C) or shorter reaction time (12 hours) leads to an increase in co-coke structural disorder and an increase in the amount of mosaic carbon at the expense of textural components that are necessary for the formation of anisotropic structure, namely, domains and flow domains. Characterization of graphitized co-cokes showed that the quality, as expressed by the degree of graphitization and crystallite dimensions, of the final product is dependent on the nature of the precursor co-coke. The methodology for studying anthracites was to select two anthracites on basis of rank, PSOC1515 being semi-anthracite and DECS21 anthracite. The selected anthracites were graphitized, in both native and demineralized states, under the same conditions as co-cokes. Products obtained from DECS21 showed higher degrees of graphitization and larger crystallite dimensions than products obtained from PSOC1515. Demineralization of anthracites served to increase the degree of graphitization, indicating that the minerals contained in these anthracites have no graphitization-enhancing ability. A larger crystallite length for products obtained from native versions, compared to demineralized versions, was attributed to a formation and decomposition of a silicon carbide during graphitization of native versions. In order to examine the anisotropic and isotropic properties, nuclear-grade graphite samples obtained from Oak Ridge National Laboratory (ORNL) and commercial graphite purchased from Fluka were characterized under similar conditions as graphitized co-cokes and anthracites. These samples served as representatives of "two extremes", with ORNL samples being the isotropic end and commercial graphite being the anisotropic end. Through evaluating relationships between structural parameters, it was observed that graphitized co-cokes are situated, structurally, somewhere between the "two extremes", whereas graphitized anthracites are closer to the anisotropic end. Basically, co-cokes have a better potential than anthracites to transform to isotropic or near-isotropic graphite upon graphitization. By co-coking vacuum resid/coal instead of decant oil/coal or using 500 °C instead of 465 °C, a shift away from commercial graphite towards ORNL samples was attained. Graphitizing a semi-anthracite or demineralizing anthracites before graphitization also caused a shift towards ORNL samples.

EXPLORATORY DEVELOPMENT OF GRAPHITE MATERIALS.

DTIC Science & Technology

COMPOSITE MATERIALS), (* GRAPHITE , (*FIBERS, GRAPHITE ), (*LAMINATED PLASTICS, GRAPHITE ), MOLDINGS, EXTRUSION, VACUUM, EPOXY RESINS, FILAMENTS, STRESSES, TENSILE PROPERTIES, OXIDATION, PHYSICAL PROPERTIES.

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

Gao, J.X.; Wei, B.Q.; Li, D.D.

The evolution of microstructure in bainite during graphitization annealing at 680 °C of Jominy-quenched bars of an Al-Si bearing medium carbon (0.4C wt%) steel has been studied and compared with that in martensite by using light, scanning and transmission electron microscopy. The results show that the graphitization process in bainite is different from that in martensite in many aspects such as the initial carbon state, the behavior of cementite, the nucleation-growth feature and kinetics of formation of graphite spheroids during graphitization annealing, and the shape, size and distribution of these graphite spheroids. The fact that the graphitization in bainite canmore » produce more homogeneous graphite spheroids with more spherical shape and finer size in a shorter annealing time without the help of preexisting coring particles implies that bainite should be a better starting structure than martensite for making graphitic steel. - Highlights: • This article presents a microstructural characterization of formation of graphite spheroids in bainite. • Nucleation and growth characteristics of graphite spheroids formed in bainite and martensite are compared. • Bainite should be a better starting structure for making graphitic steel as results show.« less

40 CFR 436.380 - Applicability; description of the graphite subcategory.

Code of Federal Regulations, 2012 CFR

2012-07-01

... graphite subcategory. 436.380 Section 436.380 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Graphite Subcategory § 436.380 Applicability; description of the graphite subcategory. The provisions of this subpart are applicable to the mining and processing of naturally occurring graphite. ...

Method for producing thin graphite flakes with large aspect ratios

DOEpatents

Bunnell, L. Roy

1993-01-01

A method for making graphite flakes of high aspect ratio by the steps of providing a strong concentrated acid and heating the graphite in the presence of the acid for a time and at a temperature effective to intercalate the acid in the graphite; heating the intercalated graphite at a rate and to a temperature effective to exfoliate the graphite in discrete layers; subjecting the graphite layers to ultrasonic energy, mechanical shear forces, or freezing in an amount effective to separate the layes into discrete flakes.

Pasta phases in core-collapse supernova matter

NASA Astrophysics Data System (ADS)

Pais, Helena; Chiacchiera, Silvia; Providência, Constança

2016-04-01

The pasta phase in core-collapse supernova matter (finite temperatures and fixed proton fractions) is studied within relativistic mean field models. Three different calculations are used for comparison, the Thomas-Fermi (TF), the Coexisting Phases (CP) and the Compressible Liquid Drop (CLD) approximations. The effects of including light clusters in nuclear matter and the densities at which the transitions between pasta configurations and to uniform matter occur are also investigated. The free energy and pressure, in the space of particle number densities and temperatures expected to cover the pasta region, are calculated. Finally, a comparison with a finite temperature Skyrme-Hartree-Fock calculation is drawn.

Quantum size effects in the size-temperature phase diagram of gallium: structural characterization of shape-shifting clusters.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2015-02-09

Finite temperature analysis of cluster structures is used to identify signatures of the low-temperature polymorphs of gallium, based on the results of first-principle Born-Oppenheimer molecular dynamics simulations. Pre-melting structural transitions proceed from either the β- and/or the δ-phase to the γ- or δ-phase, with a size- dependent phase progression. We relate the stability of each isomer to the electronic structures of the different phases, giving new insight into the origin of polymorphism in this complicated element. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Physical, electrochemical, and thermal properties of granulated natural graphite as anodes for Li-ion batteries.

PubMed

Jo, Yong Nam; Park, Min-Sik; Kim, Jae-Hun; Kim, Young-Jun

2013-05-01

Two different types of granulated graphites were synthesized by blending and kneading of natural graphite with pitch followed by sintering methods. The electrochemical performances of granulated graphites were investigated as anode materials for use in Li-ion batteries. The blending type granulated graphite possesses a large amount of cavities and voids, while the kneading type granulated graphite has a relatively compact microstructure, which is responsible for a high tap density. Both granulated graphites show improved the initial coulombic efficiencies as a result of decrease of surface area by the granulations. In particular, the kneading type granulated graphite exhibits an excellent rate-capability without significant capacity loss. In addition, the thermal stabilities of both granulated graphites were also improved, which could be attributed to the decrease of active surface area due to pitch coating.

Effect of Reacting Surface Density on the Overall Graphite Oxidation Rate

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

Chang H. Oh; Eung Kim; Jong Lim

2009-05-01

Graphite oxidation in an air-ingress accident is presently a very important issue for the reactor safety of the very high temperature gas cooled-reactor (VHTR), the concept of the next generation nuclear plant (NGNP) because of its potential problems such as mechanical degradation of the supporting graphite in the lower plenum of the VHTR might lead to core collapse if the countermeasure is taken carefully. The oxidation process of graphite has known to be affected by various factors, including temperature, pressure, oxygen concentration, types of graphite, graphite shape and size, flow distribution, etc. However, our recent study reveals that the internalmore » pore characteristics play very important roles in the overall graphite oxidation rate. One of the main issues regarding graphite oxidation is the potential core collapse problem that may occur following the degradation of graphite mechanical strength. In analyzing this phenomenon, it is very important to understand the relationship between the degree of oxidization and strength degradation. In addition, the change of oxidation rate by graphite oxidation degree characterization by burn-off (ratio of the oxidized graphite density to the original density) should be quantified because graphite strength degradation is followed by graphite density decrease, which highly affects oxidation rates and patterns. Because the density change is proportional to the internal pore surface area, they should be quantified in advance. In order to understand the above issues, the following experiments were performed: (1)Experiment on the fracture of the oxidized graphite and validation of the previous correlations, (2) Experiment on the change of oxidation rate using graphite density and data collection, (3) Measure the BET surface area of the graphite. The experiments were performed using H451 (Great Lakes Carbon Corporation) and IG-110 (Toyo Tanso Co., Ltd) graphite. The reason for the use of those graphite materials is because their chemical and mechanical characteristics are well identified by the previous investigations, and therefore it was convenient for us to access the published data, and to apply and validate our new methodologies. This paper presents preliminary results of compressive strength vs. burn-off and surface area density vs. burn-off, which can be used for the nuclear graphite selection for the NGNP.« less

On mini-cluster observed by Chacaltaya emulsion chamber experiment

NASA Technical Reports Server (NTRS)

Tati, T.

1985-01-01

Bundles of electromagnetic showers with very small tranverse momenta (approx. 10 MeV) accompanied by decay products of Chiron-type fireballs, have been observed. These bundles are called Miniclusters. This phenomenon supports the picture of fireballs made up of hadronic matter and based on the theory of the finite degree of freedom.

T-matrix method in plasmonics: An overview

NASA Astrophysics Data System (ADS)

Khlebtsov, Nikolai G.

2013-07-01

Optical properties of isolated and coupled plasmonic nanoparticles (NPs) are of great interest for many applications in nanophotonics, nanobiotechnology, and nanomedicine owing to rapid progress in fabrication, characterization, and surface functionalization technologies. To simulate optical responses from plasmonic nanostructures, various electromagnetic analytical and numerical methods have been adapted, tested, and used during the past two decades. Currently, the most popular numerical techniques are those that do not suffer from geometrical and composition limitations, e.g., the discrete dipole approximation (DDA), the boundary (finite) element method (BEM, FEM), the finite difference time domain method (FDTDM), and others. However, the T-matrix method still has its own niche in plasmonic science because of its great numerical efficiency, especially for systems with randomly oriented particles and clusters. In this review, I consider the application of the T-matrix method to various plasmonic problems, including dipolar, multipolar, and anisotropic properties of metal NPs; sensing applications; surface enhanced Raman scattering; optics of 1D-3D nanoparticle assemblies; plasmonic particles and clusters near and on substrates; and manipulation of plasmonic NPs with laser tweezers.

Systems and methods for forming defects on graphitic materials and curing radiation-damaged graphitic materials

DOEpatents

Ryu, Sunmin; Brus, Louis E.; Steigerwald, Michael L.; Liu, Haitao

2012-09-25

Systems and methods are disclosed herein for forming defects on graphitic materials. The methods for forming defects include applying a radiation reactive material on a graphitic material, irradiating the applied radiation reactive material to produce a reactive species, and permitting the reactive species to react with the graphitic material to form defects. Additionally, disclosed are methods for removing defects on graphitic materials.

Purely hydrodynamic ordering of rotating disks at a finite Reynolds number.

PubMed

Goto, Yusuke; Tanaka, Hajime

2015-01-28

Self-organization of moving objects in hydrodynamic environments has recently attracted considerable attention in connection to natural phenomena and living systems. However, the underlying physical mechanism is much less clear due to the intrinsically nonequilibrium nature, compared with self-organization of thermal systems. Hydrodynamic interactions are believed to play a crucial role in such phenomena. To elucidate the fundamental physical nature of many-body hydrodynamic interactions at a finite Reynolds number, here we study a system of co-rotating hard disks in a two-dimensional viscous fluid at zero temperature. Despite the absence of thermal noise, this system exhibits rich phase behaviours, including a fluid state with diffusive dynamics, a cluster state, a hexatic state, a glassy state, a plastic crystal state and phase demixing. We reveal that these behaviours are induced by the off-axis and many-body nature of nonlinear hydrodynamic interactions and the finite time required for propagating the interactions by momentum diffusion.

Effect of graphite target power density on tribological properties of graphite-like carbon films

NASA Astrophysics Data System (ADS)

Dong, Dan; Jiang, Bailing; Li, Hongtao; Du, Yuzhou; Yang, Chao

2018-05-01

In order to improve the tribological performance, a series of graphite-like carbon (GLC) films with different graphite target power densities were prepared by magnetron sputtering. The valence bond and microstructure of films were characterized by AFM, TEM, XPS and Raman spectra. The variation of mechanical and tribological properties with graphite target power density was analyzed. The results showed that with the increase of graphite target power density, the deposition rate and the ratio of sp2 bond increased obviously. The hardness firstly increased and then decreased with the increase of graphite target power density, whilst the friction coefficient and the specific wear rate increased slightly after a decrease with the increasing graphite target power density. The friction coefficient and the specific wear rate were the lowest when the graphite target power density was 23.3 W/cm2.

AGC 2 Irradiated Material Properties Analysis

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

Rohrbaugh, David Thomas

2017-05-01

The Advanced Reactor Technologies Graphite Research and Development Program is conducting an extensive graphite irradiation experiment to provide data for licensing of a high temperature reactor (HTR) design. In past applications, graphite has been used effectively as a structural and moderator material in both research and commercial high temperature gas cooled reactor designs. , Nuclear graphite H 451, used previously in the United States for nuclear reactor graphite components, is no longer available. New nuclear graphite grades have been developed and are considered suitable candidates for new HTR reactor designs. To support the design and licensing of HTR core componentsmore » within a commercial reactor, a complete properties database must be developed for these current grades of graphite. Quantitative data on in service material performance are required for the physical, mechanical, and thermal properties of each graphite grade, with a specific emphasis on data accounting for the life limiting effects of irradiation creep on key physical properties of the HTR candidate graphite grades. Further details on the research and development activities and associated rationale required to qualify nuclear grade graphite for use within the HTR are documented in the graphite technology research and development plan.« less

AGC 2 Irradiation Creep Strain Data Analysis

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

Windes, William E.; Rohrbaugh, David T.; Swank, W. David

2016-08-01

The Advanced Reactor Technologies Graphite Research and Development Program is conducting an extensive graphite irradiation experiment to provide data for licensing of a high temperature reactor (HTR) design. In past applications, graphite has been used effectively as a structural and moderator material in both research and commercial high temperature gas cooled reactor designs. Nuclear graphite H-451, used previously in the United States for nuclear reactor graphite components, is no longer available. New nuclear graphite grades have been developed and are considered suitable candidates for new HTR reactor designs. To support the design and licensing of HTR core components within amore » commercial reactor, a complete properties database must be developed for these current grades of graphite. Quantitative data on in service material performance are required for the physical, mechanical, and thermal properties of each graphite grade, with a specific emphasis on data accounting for the life limiting effects of irradiation creep on key physical properties of the HTR candidate graphite grades. Further details on the research and development activities and associated rationale required to qualify nuclear grade graphite for use within the HTR are documented in the graphite technology research and development plan.« less

Preparation, quantitative surface analysis, intercalation characteristics and industrial implications of low temperature expandable graphite

NASA Astrophysics Data System (ADS)

Peng, Tiefeng; Liu, Bin; Gao, Xuechao; Luo, Liqun; Sun, Hongjuan

2018-06-01

Expandable graphite is widely used as a new functional carbon material, especially as fire-retardant; however, its practical application is limited due to the high expansion temperature. In this work, preparation process of low temperature and highly expandable graphite was studied, using natural flake graphite as raw material and KMnO4/HClO4/NH4NO3 as oxidative intercalations. The structure, morphology, functional groups and thermal properties were characterized during expanding process by Fourier transform infrared spectroscopy (FTIR), Raman spectra, thermo-gravimetry differential scanning calorimetry (TG-DSC), X-ray diffraction (XRD), and scanning electron microscope (SEM). The analysis showed that by oxidation intercalation, some oxygen-containing groups were grafted on the edge and within the graphite layer. The intercalation reagent entered the graphite layer to increase the interlayer spacing. After expansion, the original flaky expandable graphite was completely transformed into worm-like expanded graphite. The order of graphite intercalation compounds (GICs) was proposed and determined to be 3 for the prepared expandable graphite, based on quantitative XRD peak analysis. Meanwhile, the detailed intercalation mechanisms were also proposed. The comprehensive investigation paved a benchmark for the industrial application of such sulfur-free expanded graphite.

The impact of LDEF results on the space application of metal matrix composites

NASA Technical Reports Server (NTRS)

Steckel, Gary L.; Le, Tuyen D.

1993-01-01

Over 200 graphite/aluminum and graphite/magnesium composites were flown on the leading and trailing edges of LDEF on the Advanced Composites Experiment. The performance of these composites was evaluated by performing scanning electron microscopy and x-ray photoelectron spectroscopy of exposed surfaces, optical microscopy of cross sections, and on-orbit and postflight thermal expansion measurements. Graphite/aluminum and graphite/magnesium were found to be superior to graphite/polymer matrix composites in that they are inherently resistant to atomic oxygen and are less susceptible to thermal cycling induced microcracking. The surface foils on graphite/aluminum and graphite/magnesium protect the graphite fibers from atomic oxygen and from impact damage from small micrometeoroid or space debris particles. However, the surface foils were found to be susceptible to thermal fatigue cracking arising from contamination embrittlement, surface oxidation, or stress risers. Thus, the experiment reinforced requirements for carefully protecting these composites from prelaunch oxidation or corrosion, avoiding spacecraft contamination, and designing composite structures to minimize stress concentrations. On-orbit strain measurements demonstrated the importance of through-thickness thermal conductivity in composites to minimize thermal distortions arising from thermal gradients. Because of the high thermal conductivity of aluminum, thermal distortions were greatly reduced in the LDEF thermal environment for graphite/aluminum as compared to graphite/magnesium and graphite/polymer composites. The thermal expansion behavior of graphite/aluminum and graphite/magnesium was stabilized by on-orbit thermal cycling in the same manner as observed in laboratory tests.

Natural graphite demand and supply - Implications for electric vehicle battery requirements

USGS Publications Warehouse

Olson, Donald W.; Virta, Robert L.; Mahdavi, Mahbood; Sangine, Elizabeth S.; Fortier, Steven M.

2016-01-01

Electric vehicles have been promoted to reduce greenhouse gas emissions and lessen U.S. dependence on petroleum for transportation. Growth in U.S. sales of electric vehicles has been hindered by technical difficulties and the high cost of the lithium-ion batteries used to power many electric vehicles (more than 50% of the vehicle cost). Groundbreaking has begun for a lithium-ion battery factory in Nevada that, at capacity, could manufacture enough batteries to power 500,000 electric vehicles of various types and provide economies of scale to reduce the cost of batteries. Currently, primary synthetic graphite derived from petroleum coke is used in the anode of most lithium-ion batteries. An alternate may be the use of natural flake graphite, which would result in estimated graphite cost reductions of more than US$400 per vehicle at 2013 prices. Most natural flake graphite is sourced from China, the world's leading graphite producer. Sourcing natural flake graphite from deposits in North America could reduce raw material transportation costs and, given China's growing internal demand for flake graphite for its industries and ongoing environmental, labor, and mining issues, may ensure a more reliable and environmentally conscious supply of graphite. North America has flake graphite resources, and Canada is currently a producer, but most new mining projects in the United States require more than 10 yr to reach production, and demand could exceed supplies of flake graphite. Natural flake graphite may serve only to supplement synthetic graphite, at least for the short-term outlook.

Magnetism, structures and stabilities of cluster assembled TM@Si nanotubes (TM = Cr, Mn and Fe): a density functional study.

PubMed

Dhaka, Kapil; Bandyopadhyay, Debashis

2016-08-02

The present study reports transition metal (TM = Cr, Mn and Fe) doped silicon nanotubes with tunable band structures and magnetic properties by careful selection of cluster assemblies as building blocks using the first-principles density functional theory. We found that the transition metal doping and in addition, the hydrogen termination process can stabilize the pure silicon nanoclusters or cluster assemblies and then it could be extended as magnetic nanotubes with finite magnetic moments. Study of the band structures and density of states (DOS) of different empty and TM doped nanotubes (Type 1 to Type 4) show that these nanotubes are useful as metals, semiconductors, semi-metals and half-metals. These designer magnetic materials could be useful in spintronics and magnetic devices of nanoscale order.

Finite plateau in spectral gap of polychromatic constrained random networks

NASA Astrophysics Data System (ADS)

Avetisov, V.; Gorsky, A.; Nechaev, S.; Valba, O.

2017-12-01

We consider critical behavior in the ensemble of polychromatic Erdős-Rényi networks and regular random graphs, where network vertices are painted in different colors. The links can be randomly removed and added to the network subject to the condition of the vertex degree conservation. In these constrained graphs we run the Metropolis procedure, which favors the connected unicolor triads of nodes. Changing the chemical potential, μ , of such triads, for some wide region of μ , we find the formation of a finite plateau in the number of intercolor links, which exactly matches the finite plateau in the network algebraic connectivity (the value of the first nonvanishing eigenvalue of the Laplacian matrix, λ2). We claim that at the plateau the spontaneously broken Z2 symmetry is restored by the mechanism of modes collectivization in clusters of different colors. The phenomena of a finite plateau formation holds also for polychromatic networks with M ≥2 colors. The behavior of polychromatic networks is analyzed via the spectral properties of their adjacency and Laplacian matrices.

Treatment of irradiated graphite from French Bugey reactor

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

Stevens, Howard; Laurent, Gerard

In 2008, following the general French plan for nuclear waste management, Electricite de France attempted to find for irradiated graphite an alternative solution to direct storage at the low-activity long-life storage center in France managed by the national agency for wastes (ANDRA). EDF management requested that its engineering arm, EDF CIDEN, study the graphite treatment alternatives to direct storage. In mid-2008, this study revealed the potential advantage for EDF to use a steam reforming process known as Thermal Organic Reduction, 'THOR' (owned by Studsvik, Inc., USA), to treat or destroy the graphite matrix and limit the quantity of secondary wastemore » to be stored. In late 2009, EDF began a test program with Studsvik to determine if the THOR steam reforming process could be used to destroy the graphite. The program also sought to determine if the graphite could be treated to release the bulk of activity while minimizing the gasification of the bulk mass of the graphite. In October 2009, tests with non-irradiated graphite were completed and demonstrated destruction of a graphite matrix by the THOR process at satisfactory rates. After gasifying the graphite, focus shifted to the effect of roasting graphite at high temperatures in inert gases with low concentrations of oxidizing gases to preferentially remove volatile radionuclides while minimizing the graphite mass loss to 5%. A radioactive graphite sleeve was imported from France to the US for these tests. Completed in April 2010, 'Phase I' of testing showed that the process removed >99% of H-3 and 46% of C-14 with <6% mass loss. Completed in September 2011, 'Phase II' testing achieved increased removals as high as 80% C-14. During Phase II, it was also discovered that roasting in a reducing atmosphere helped to limit the oxidation of the graphite. Future work seeks to explore the effects of reducing gases to limit the bulk oxidation of graphite. If the graphite could be decontaminated of long-lived radionuclides up to 95% for C-14 while minimizing mass loss to <5%, this would minimize the volume of any secondary waste streams and potentially lower the waste class of the larger bulk of graphite. Alternatively, if up to 95% decontamination of C-14 is achieved, the graphite may be completely gasified which could result in lower disposal. (authors)« less

Bridged graphite oxide materials

NASA Technical Reports Server (NTRS)

Herrera-Alonso, Margarita (Inventor); McAllister, Michael J. (Inventor); Aksay, Ilhan A. (Inventor); Prud'homme, Robert K. (Inventor)

2010-01-01

Bridged graphite oxide material comprising graphite sheets bridged by at least one diamine bridging group. The bridged graphite oxide material may be incorporated in polymer composites or used in adsorption media.

Preparation of graphitic articles

DOEpatents

Phillips, Jonathan; Nemer, Martin; Weigle, John C.

2010-05-11

Graphitic structures have been prepared by exposing templates (metal, metal-coated ceramic, graphite, for example) to a gaseous mixture that includes hydrocarbons and oxygen. When the template is metal, subsequent acid treatment removes the metal to yield monoliths, hollow graphitic structures, and other products. The shapes of the coated and hollow graphitic structures mimic the shapes of the templates.

Method of Obtaining Uniform Coatings on Graphite

DOEpatents

Campbell, I. E.

1961-04-01

A method is given for obtaining uniform carbide coatings on graphite bodies. According to the invention a metallic halide in vapor form is passed over the graphite body under such conditions of temperature and pressure that the halide reacts with the graphite to form a coating of the metal carbide on the surface of the graphite.

METHOD OF OBTAINING UNIFORM COATINGS ON GRAPHITE

DOEpatents

Campbell, I.E.

1961-04-01

A method is given for obtaining uniform carbide coatings on graphite bodies. According to the invention a metallic halide in vapor form is passed over the graphite body under such conditions of temperature and pressure that the halide reacts with the graphite to form a coating of the metal carbide on the surface of the graphite.

Morphological and optoelectronic characteristics of nanocomposites comprising graphene nanosheets and poly(3-hexylthiophene).

PubMed

Chang, Yo-Wei; Yu, Shiau-Wei; Liu, Cheng-Hao; Tsiang, Raymond Chien-Chao

2010-10-01

P3HT/graphene nanocomposite was prepared via in-situ reduction of exfoliated graphite oxide in the P3HT polymer matrix, where the exfoliated graphite oxide was formed beforehand via the oxidation of graphite via the Hummers method. The oxidation reaction not only imparts functional groups, such as C=O, C-OH, and C-O-C, to graphite but also causes exfoliation of the resulting graphite oxide. The functional groups render graphite oxide an additional, lower thermal degradation temperature (T(d)) and the exfoliation shifts the XRD pattern towards a much smaller angle. The oxidation of graphite into graphite oxide creates a pleated flaking morphology for graphite oxide as opposed to that of graphite. UV/Vis and photoluminescence (PL) spectra of P3HT/graphene nanocomposite indicate that the existence of graphene does not alter the UV/Vis and PL excitation characteristics of P3HT, and the P3HT/graphene composite has higher electron mobility, a smaller band gap and higher conductivity than the pristine P3HT.

Solfatara volcano subsurface imaging: two different approaches to process and interpret multi-variate data sets

NASA Astrophysics Data System (ADS)

Bernardinetti, Stefano; Bruno, Pier Paolo; Lavoué, François; Gresse, Marceau; Vandemeulebrouck, Jean; Revil, André

2017-04-01

The need to reduce model uncertainty and produce a more reliable geophysical imaging and interpretations is nowadays a fundamental task required to geophysics techniques applied in complex environments such as Solfatara Volcano. The use of independent geophysical methods allows to obtain many information on the subsurface due to the different sensitivities of the data towards parameters such as compressional and shearing wave velocities, bulk electrical conductivity, or density. The joint processing of these multiple physical properties can lead to a very detailed characterization of the subsurface and therefore enhance our imaging and our interpretation. In this work, we develop two different processing approaches based on reflection seismology and seismic P-wave tomography on one hand, and electrical data acquired over the same line, on the other hand. From these data, we obtain an image-guided electrical resistivity tomography and a post processing integration of tomographic results. The image-guided electrical resistivity tomography is obtained by regularizing the inversion of the electrical data with structural constraints extracted from a migrated seismic section using image processing tools. This approach enables to focus the reconstruction of electrical resistivity anomalies along the features visible in the seismic section, and acts as a guide for interpretation in terms of subsurface structures and processes. To integrate co-registrated P-wave velocity and electrical resistivity values, we apply a data mining tool, the k-means algorithm, to individuate relationships between the two set of variables. This algorithm permits to individuate different clusters with the objective to minimize the sum of squared Euclidean distances within each cluster and maximize it between clusters for the multivariate data set. We obtain a partitioning of the multivariate data set in a finite number of well-correlated clusters, representative of the optimum clustering of our geophysical variables (P-wave velocities and electrical resistivities). The result is an integrated tomography that shows a finite number of homogeneous geophysical facies, and therefore permits to highlight the main geological features of the subsurface.

Graphite Sheet Coating for Improved Thermal Oxidative Stability of Carbon Fiber Reinforced/PMR-15 Composites

NASA Technical Reports Server (NTRS)

Campbell, Sandi; Papadopoulos, Demetrios; Heimann, Paula; Inghram, Linda; McCorkle, Linda

2005-01-01

Expanded graphite was compressed into graphite sheets and used as a coating for carbon fiber reinforced PMR-15 composites. BET analysis of the graphite indicated an increase in graphite pore size on compression, however the material was proven to be an effective barrier to oxygen when prepegged with PMR-15 resin. Oxygen permeability of the PMR-15/graphite was an order of magnitude lower than the compressed graphite sheet. By providing a barrier to oxygen permeation, the rate of oxidative degradation of PMR-15 was decreased. As a result, the composite thermo-oxidative stability increased by up to 25%. The addition of a graphite sheet as a top ply on the composites yielded little change in the material's flexural strength or interlaminar shear strength.

GRAFEC: A New Spanish Program to Investigate Waste Management Options for Radioactive Graphite - 12399

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

Marquez, Eva; Pina, Gabriel; Rodriguez, Marina

Spain has to manage about 3700 tons of irradiated graphite from the reactor Vandellos I as radioactive waste. 2700 tons are the stack of the reactor and are still in the reactor core waiting for retrieval. The rest of the quantities, 1000 tons, are the graphite sleeves which have been already retrieved from the reactor. During operation the graphite sleeves were stored in a silo and during the dismantling stage a retrieval process was carried out separating the wires from the graphite, which were crushed and introduced into 220 cubic containers of 6 m{sup 3} each and placed in interimmore » storage. The graphite is an intermediate level radioactive waste but it contains long lived radionuclides like {sup 14}C which disqualifies disposal at the low level waste repository of El Cabril. Therefore, a new project has been started in order to investigate two new options for the management of this waste type. The first one is based on a selective decontamination of {sup 14}C by thermal methods. This method is based on results obtained at the Research Centre Juelich (FZJ) in the Frame of the EC programs 'Raphael' and 'Carbowaste'. The process developed at FZJ is based on a preferential oxidation of {sup 14}C in comparison to the bulk {sup 12}C. Explanations for this effect are the inhomogeneous distribution and a weaker bounding of {sup 14}C which is not incorporated in the graphite lattice. However these investigations have only been performed with graphite from the high temperature reactor Arbeitsgemeinschaft Versuchsreaktor Juelich AVR which has been operated in a non-oxidising condition or research reactor graphite operated at room temperature. The reactor Vandellos I has been operated with CO{sub 2} as coolant and significant amounts of graphite have been already oxidised. The aim of the project is to validate whether a {sup 14}C decontamination can also been achieved with graphite from Vandellos I. A second possibility under investigation is the encapsulation of the graphite in a long term stable glass matrix. The principal applicability has been already proved by FNAG. Crushed graphite mixed with a suitable glass powder has been pressed at elevated temperature under vacuum. The vacuum is required to avoid gas enclosures in the obtained product. The obtained products, named IGM for 'Impermeable Graphite Matrix', have densities above 99% of theoretical density. The amount of glass has been chosen with respect to the pore volume of the former graphite parts. The method allows the production of encapsulated graphite without increasing the disposal volume. This paper will give a short overview of characterisation results of different irradiated graphite materials obtained at CIEMAT and in the Carbowaste project as well as the proposed methods and the actual status of the program including first results about leaching of non-radioactive IGM samples and hopefully first tendencies concerning the C-14 separation from graphite of Vandellos I by thermal treatment. Both processes, the thermal treatment as well as the IGM, have the potential to solve problems related to the management of irradiated graphite in Spain. However the methods have only been tested with different types of i-graphite and virgin graphite, respectively. Only investigations with real i-graphite from Spain will reveal whether the described methods are applicable to graphite from Vandellos I. However all partners are convinced that one of these new methods or a combination of them will lead to a feasible option to manage i-graphite in Spain on an industrial scale. (authors)« less

Hysteretic transitions in the Kuramoto model with inertia.

PubMed

Olmi, Simona; Navas, Adrian; Boccaletti, Stefano; Torcini, Alessandro

2014-10-01

We report finite-size numerical investigations and mean-field analysis of a Kuramoto model with inertia for fully coupled and diluted systems. In particular, we examine, for a gaussian distribution of the frequencies, the transition from incoherence to coherence for increasingly large system size and inertia. For sufficiently large inertia the transition is hysteretic, and within the hysteretic region clusters of locked oscillators of various sizes and different levels of synchronization coexist. A modification of the mean-field theory developed by Tanaka, Lichtenberg, and Oishi [Physica D 100, 279 (1997)] allows us to derive the synchronization curve associated to each of these clusters. We have also investigated numerically the limits of existence of the coherent and of the incoherent solutions. The minimal coupling required to observe the coherent state is largely independent of the system size, and it saturates to a constant value already for moderately large inertia values. The incoherent state is observable up to a critical coupling whose value saturates for large inertia and for finite system sizes, while in the thermodinamic limit this critical value diverges proportionally to the mass. By increasing the inertia the transition becomes more complex, and the synchronization occurs via the emergence of clusters of whirling oscillators. The presence of these groups of coherently drifting oscillators induces oscillations in the order parameter. We have shown that the transition remains hysteretic even for randomly diluted networks up to a level of connectivity corresponding to a few links per oscillator. Finally, an application to the Italian high-voltage power grid is reported, which reveals the emergence of quasiperiodic oscillations in the order parameter due to the simultaneous presence of many competing whirling clusters.

Earthquake Clustering in Noisy Viscoelastic Systems

NASA Astrophysics Data System (ADS)

Dicaprio, C. J.; Simons, M.; Williams, C. A.; Kenner, S. J.

2006-12-01

Geologic studies show evidence for temporal clustering of earthquakes on certain fault systems. Since post- seismic deformation may result in a variable loading rate on a fault throughout the inter-seismic period, it is reasonable to expect that the rheology of the non-seismogenic lower crust and mantle lithosphere may play a role in controlling earthquake recurrence times. Previously, the role of rheology of the lithosphere on the seismic cycle had been studied with a one-dimensional spring-dashpot-slider model (Kenner and Simons [2005]). In this study we use the finite element code PyLith to construct a two-dimensional continuum model a strike-slip fault in an elastic medium overlying one or more linear Maxwell viscoelastic layers loaded in the far field by a constant velocity boundary condition. Taking advantage of the linear properties of the model, we use the finite element solution to one earthquake as a spatio-temporal Green's function. Multiple Green's function solutions, scaled by the size of each earthquake, are then summed to form an earthquake sequence. When the shear stress on the fault reaches a predefined yield stress it is allowed to slip, relieving all accumulated shear stress. Random variation in the fault yield stress from one earthquake to the next results in a temporally clustered earthquake sequence. The amount of clustering depends on a non-dimensional number, W, called the Wallace number. For models with one viscoelastic layer, W is equal to the standard deviation of the earthquake stress drop divided by the viscosity times the tectonic loading rate. This definition of W is modified from the original one used in Kenner and Simons [2005] by using the standard deviation of the stress drop instead of the mean stress drop. We also use a new, more appropriate, metric to measure the amount of temporal clustering of the system. W is the ratio of the viscoelastic relaxation rate of the system to the tectonic loading rate of the system. For values of W greater than the critical value of about 10, the clustered earthquake behavior is due to the rapid reloading of the fault due to viscoelastic recycling of stress. A model with multiple viscoelastic layers has more complex clustering behavior than a system with only one viscosity. In this case, multiple clustering modes exist; the size and mean period of which are influenced by the viscosities and relative thicknesses of the viscoelastic layers. Kenner, S.J. and Simons, M., (2005), Temporal cluster of major earthquakes along individual faults due to post-seismic reloading, Geophysical Journal International, 160, 179-194.

Research on graphite reinforced glass matrix composites

NASA Technical Reports Server (NTRS)

Bacon, J. F.; Prewo, K. M.

1977-01-01

The results of research for the origination of graphite-fiber reinforced glass matrix composites are presented. The method selected to form the composites consisted of pulling the graphite fiber through a slurry containing powdered glass, winding up the graphite fiber and the glass it picks up on a drum, drying, cutting into segments, loading the tape segment into a graphite die, and hot pressing. During the course of the work, composites were made with a variety of graphite fibers in a glass matrix.

Cluster Cooperation in Wireless-Powered Sensor Networks: Modeling and Performance Analysis.

PubMed

Zhang, Chao; Zhang, Pengcheng; Zhang, Weizhan

2017-09-27

A wireless-powered sensor network (WPSN) consisting of one hybrid access point (HAP), a near cluster and the corresponding far cluster is investigated in this paper. These sensors are wireless-powered and they transmit information by consuming the harvested energy from signal ejected by the HAP. Sensors are able to harvest energy as well as store the harvested energy. We propose that if sensors in near cluster do not have their own information to transmit, acting as relays, they can help the sensors in a far cluster to forward information to the HAP in an amplify-and-forward (AF) manner. We use a finite Markov chain to model the dynamic variation process of the relay battery, and give a general analyzing model for WPSN with cluster cooperation. Though the model, we deduce the closed-form expression for the outage probability as the metric of this network. Finally, simulation results validate the start point of designing this paper and correctness of theoretical analysis and show how parameters have an effect on system performance. Moreover, it is also known that the outage probability of sensors in far cluster can be drastically reduced without sacrificing the performance of sensors in near cluster if the transmit power of HAP is fairly high. Furthermore, in the aspect of outage performance of far cluster, the proposed scheme significantly outperforms the direct transmission scheme without cooperation.

Cluster Cooperation in Wireless-Powered Sensor Networks: Modeling and Performance Analysis

PubMed Central

Zhang, Chao; Zhang, Pengcheng; Zhang, Weizhan

2017-01-01

A wireless-powered sensor network (WPSN) consisting of one hybrid access point (HAP), a near cluster and the corresponding far cluster is investigated in this paper. These sensors are wireless-powered and they transmit information by consuming the harvested energy from signal ejected by the HAP. Sensors are able to harvest energy as well as store the harvested energy. We propose that if sensors in near cluster do not have their own information to transmit, acting as relays, they can help the sensors in a far cluster to forward information to the HAP in an amplify-and-forward (AF) manner. We use a finite Markov chain to model the dynamic variation process of the relay battery, and give a general analyzing model for WPSN with cluster cooperation. Though the model, we deduce the closed-form expression for the outage probability as the metric of this network. Finally, simulation results validate the start point of designing this paper and correctness of theoretical analysis and show how parameters have an effect on system performance. Moreover, it is also known that the outage probability of sensors in far cluster can be drastically reduced without sacrificing the performance of sensors in near cluster if the transmit power of HAP is fairly high. Furthermore, in the aspect of outage performance of far cluster, the proposed scheme significantly outperforms the direct transmission scheme without cooperation. PMID:28953231

Global minimum-energy structure and spectroscopic properties of I2(*-) x n H2O clusters: a Monte Carlo simulated annealing study.

PubMed

Pathak, Arup Kumar; Mukherjee, Tulsi; Maity, Dilip Kumar

2010-01-18

The vibrational (IR and Raman) and photoelectron spectral properties of hydrated iodine-dimer radical-anion clusters, I(2)(*-) x n H(2)O (n=1-10), are presented. Several initial guess structures are considered for each size of cluster to locate the global minimum-energy structure by applying a Monte Carlo simulated annealing procedure including spin-orbit interaction. In the Raman spectrum, hydration reduces the intensity of the I-I stretching band but enhances the intensity of the O-H stretching band of water. Raman spectra of more highly hydrated clusters appear to be simpler than the corresponding IR spectra. Vibrational bands due to simultaneous stretching vibrations of O-H bonds in a cyclic water network are observed for I(2)(*-) x n H(2)O clusters with n > or = 3. The vertical detachment energy (VDE) profile shows stepwise saturation that indicates closing of the geometrical shell in the hydrated clusters on addition of every four water molecules. The calculated VDE of finite-size small hydrated clusters is extrapolated to evaluate the bulk VDE value of I(2)(*-) in aqueous solution as 7.6 eV at the CCSD(T) level of theory. Structure and spectroscopic properties of these hydrated clusters are compared with those of hydrated clusters of Cl(2)(*-) and Br(2)(*-).

Interlaced coarse-graining for the dynamical cluster approximation

NASA Astrophysics Data System (ADS)

Haehner, Urs; Staar, Peter; Jiang, Mi; Maier, Thomas; Schulthess, Thomas

The negative sign problem remains a challenging limiting factor in quantum Monte Carlo simulations of strongly correlated fermionic many-body systems. The dynamical cluster approximation (DCA) makes this problem less severe by coarse-graining the momentum space to map the bulk lattice to a cluster embedded in a dynamical mean-field host. Here, we introduce a new form of an interlaced coarse-graining and compare it with the traditional coarse-graining. We show that it leads to more controlled results with weaker cluster shape and smoother cluster size dependence, which with increasing cluster size converge to the results obtained using the standard coarse-graining. In addition, the new coarse-graining reduces the severity of the fermionic sign problem. Therefore, it enables calculations on much larger clusters and can allow the evaluation of the exact infinite cluster size result via finite size scaling. To demonstrate this, we study the hole-doped two-dimensional Hubbard model and show that the interlaced coarse-graining in combination with the DCA+ algorithm permits the determination of the superconducting Tc on cluster sizes, for which the results can be fitted with the Kosterlitz-Thouless scaling law. This research used resources of the Oak Ridge Leadership Computing Facility (OLCF) awarded by the INCITE program, and of the Swiss National Supercomputing Center. OLCF is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

Formation, dissolution and properties of surface nanobubbles

NASA Astrophysics Data System (ADS)

Che, Zhizhao; Theodorakis, Panagiotis E.

2017-02-01

Surface nanobubbles are stable gaseous phases in liquids that form on solid substrates. While their existence has been confirmed, there are many open questions related to their formation and dissolution processes along with their structures and properties, which are difficult to investigate experimentally. To address these issues, we carried out molecular dynamics simulations based on atomistic force fields for systems comprised of water, air (N2 and O2), and a Highly Oriented Pyrolytic Graphite (HOPG) substrate. Our results provide insights into the formation/dissolution mechanisms of nanobubbles and estimates for their density, contact angle, and surface tension. We found that the formation of nanobubbles is driven by an initial nucleation process of air molecules and the subsequent coalescence of the formed air clusters. The clusters form favorably on the substrate, which provides an enhanced stability to the clusters. In contrast, nanobubbles formed in the bulk either move randomly to the substrate and spread or move to the water--air surface and pop immediately. Moreover, nanobubbles consist of a condensed gaseous phase with a surface tension smaller than that of an equivalent system under atmospheric conditions, and contact angles larger than those in the equivalent nanodroplet case. We anticipate that this study will provide useful insights into the physics of nanobubbles and will stimulate further research in the field by using all-atom simulations.

NEW METHOD OF GRAPHITE PREPARATION

DOEpatents

Stoddard, S.D.; Harper, W.T.

1961-08-29

BS>A method is described for producing graphite objects comprising mixing coal tar pitch, carbon black, and a material selected from the class comprising raw coke, calcined coke, and graphite flour. The mixture is placed in a graphite mold, pressurized to at least 1200 psi, and baked and graphitized by heating to about 2500 deg C while maintaining such pressure. (AEC)

Development of Benchmark Examples for Delamination Onset and Fatigue Growth Prediction

NASA Technical Reports Server (NTRS)

Krueger, Ronald

2011-01-01

An approach for assessing the delamination propagation and growth capabilities in commercial finite element codes was developed and demonstrated for the Virtual Crack Closure Technique (VCCT) implementations in ABAQUS. The Double Cantilever Beam (DCB) specimen was chosen as an example. First, benchmark results to assess delamination propagation capabilities under static loading were created using models simulating specimens with different delamination lengths. For each delamination length modeled, the load and displacement at the load point were monitored. The mixed-mode strain energy release rate components were calculated along the delamination front across the width of the specimen. A failure index was calculated by correlating the results with the mixed-mode failure criterion of the graphite/epoxy material. The calculated critical loads and critical displacements for delamination onset for each delamination length modeled were used as a benchmark. The load/displacement relationship computed during automatic propagation should closely match the benchmark case. Second, starting from an initially straight front, the delamination was allowed to propagate based on the algorithms implemented in the commercial finite element software. The load-displacement relationship obtained from the propagation analysis results and the benchmark results were compared. Good agreements could be achieved by selecting the appropriate input parameters, which were determined in an iterative procedure.

Analytical Simulations of Energy-Absorbing Impact Spheres for a Mars Sample Return Earth Entry Vehicle

NASA Technical Reports Server (NTRS)

Billings, Marcus Dwight; Fasanella, Edwin L. (Technical Monitor)

2002-01-01

Nonlinear dynamic finite element simulations were performed to aid in the design of an energy-absorbing impact sphere for a passive Earth Entry Vehicle (EEV) that is a possible architecture for the Mars Sample Return (MSR) mission. The MSR EEV concept uses an entry capsule and energy-absorbing impact sphere designed to contain and limit the acceleration of collected samples during Earth impact without a parachute. The spherical shaped impact sphere is composed of solid hexagonal and pentagonal foam-filled cells with hybrid composite, graphite-epoxy/Kevlar cell walls. Collected Martian samples will fit inside a smaller spherical sample container at the center of the EEV's cellular structure. Comparisons were made of analytical results obtained using MSC.Dytran with test results obtained from impact tests performed at NASA Langley Research Center for impact velocities from 30 to 40 m/s. Acceleration, velocity, and deformation results compared well with the test results. The correlated finite element model was then used for simulations of various off-nominal impact scenarios. Off-nominal simulations at an impact velocity of 40 m/s included a rotated cellular structure impact onto a flat surface, a cellular structure impact onto an angled surface, and a cellular structure impact onto the corner of a step.

Fullerenes formation in flames

NASA Technical Reports Server (NTRS)

Howard, Jack B.

1993-01-01

Fullerenes are composed of carbon atoms arranged in approximately spherical or ellipsoidal cages resembling the geodesic domes designed by Buckminster Fuller, after whom the molecules were named. The approximately spherical fullerene, which resembles a soccer ball and contains sixty atoms (C60), is called buckminsterfullerene. The fullerene containing seventy carbon atoms (C70) is approximately ellipsoidal, similar to a rugby ball. Fullerenes were first detected in 1985, in carbon vapor produced by laser evaporation of graphite. The closed shell structure, which has no edge atoms vulnerable to reaction, was proposed to explain the observed high stability of certain carbon clusters relative to that of others at high temperatures and in the presence of an oxidizing gas.

Optimal design of a thermally stable composite optical bench

NASA Technical Reports Server (NTRS)

Gray, C. E., Jr.

1985-01-01

The Lidar Atmospheric Sensing Experiment will be performed aboard an ER-2 aircraft; the lidar system used will be mounted on a lightweight, thermally stable graphite/epoxy optical bench whose design is presently subjected to analytical study and experimental validation. Attention is given to analytical methods for the selection of such expected laminate properties as the thermal expansion coefficient, the apparent in-plane moduli, and ultimate strength. For a symmetric laminate in which one of the lamina angles remains variable, an optimal lamina angle is selected to produce a design laminate with a near-zero coefficient of thermal expansion. Finite elements are used to model the structural concept of the design, with a view to the optical bench's thermal structural response as well as the determination of the degree of success in meeting the experiment's alignment tolerances.

Preliminary Structural Sizing and Alternative Material Trade Study of CEV Crew Module

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Arnold, Steve M.; Collier, Craig S.; Yarrington, Phillip W.

2007-01-01

This paper presents the results of a preliminary structural sizing and alternate material trade study for NASA s Crew Exploration Vehicle (CEV) Crew Module (CM). This critical CEV component will house the astronauts during ascent, docking with the International Space Station, reentry, and landing. The alternate material design study considers three materials beyond the standard metallic (aluminum alloy) design that resulted from an earlier NASA Smart Buyer Team analysis. These materials are graphite/epoxy composite laminates, discontinuously reinforced SiC/Al (DRA) composites, and a novel integrated panel material/concept known as WebCore. Using the HyperSizer (Collier Research and Development Corporation) structural sizing software and NASTRAN finite element analysis code, a comparison is made among these materials for the three composite CM concepts considered by the 2006 NASA Engineering and Safety Center Composite Crew Module project.

Free vibration analysis of composite railway wheels

NASA Astrophysics Data System (ADS)

Ganesan, N.; Ramesh, T. C.

1992-02-01

Composite materials have been finding increasing applications in the field of transportation. A U.S.A. patent suggesting the use of composite materials for railway wheels is the basis for this paper. In thispaper, the natural vibrations of railway wheels made of composite materials have been theoretically estimated by the finite element method and compared with those in wheels made of steel. A thick conical shell element with displacements in the axial, radial and circumferential directions has been used in the analysis. This element brings out the coupling between the different modes of vibration, and this aspect is important in the dynamic analysis of composite wheels. Three geometries of wheels and two materials (Kevlar-epoxy and graphite-epoxy) have been used in the study. For each of these materials, two fiber orientations (radial and circumferential) have been taken up and their natural frequencies determined.

Mixed-mode cyclic debonding of adhesively bonded composite joints. M.S. Thesis

NASA Technical Reports Server (NTRS)

Rezaizadeh, M. A.; Mall, S.

1985-01-01

A combined experimental-analytical investigation to characterize the cyclic failure mechanism of a simple composite-to-composite bonded joint is conducted. The cracked lap shear (CLS) specimens of graphite/epoxy adherend bonded with EC-3445 adhesive are tested under combined mode 1 and 2 loading. In all specimens tested, fatigue failure occurs in the form of cyclic debonding. The cyclic debond growth rates are measured. The finite element analysis is employed to compute the mode 1, mode 2, and total strain energy release rates (i.e., GI, GII, and GT). A wide range of mixed-mode loading, i.e., GI/GII ranging from 0.03 to 0.38, is obtained. The total strain energy release rate, G sub T, appeared to be the driving parameter for cyclic debonding in the tested composite bonded system.

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys, and superlattices: Theoretical study of Cu/graphite bonding

NASA Technical Reports Server (NTRS)

Lambrecht, Walter R. L.

1992-01-01

The goals of the research were to provide a fundamental science basis for why the bonding of Cu to graphite is weak, to critically evaluate the previous analysis of the wetting studies with particular regard to the values used for the surface energies of Cu and graphite, and to make recommendations for future experiments or other studies which could advance the understanding and solution of this technological problem. First principles electronic structure calculations were used to study the problem. These are based on density functional theory in the local density approximation and the use of the linear muffin-tin orbital band structure method. Calculations were performed for graphite monolayers, single crystal graphite with the hexagonal AB stacking, bulk Cu, Cu(111) surface, and Cu/graphite superlattices. The study is limited to the basal plane of graphite because this is the graphite plane exposed to Cu and graphite surface energies and combined with the measured contact angles to evaluate the experimental adhesion energy.

Low-energy electron diffraction study of potassium adsorbed on single-crystal graphite and highly oriented pyrolytic graphite

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

Ferralis, N.; Diehl, R.D.; Pussi, K.

2004-12-15

Potassium adsorption on graphite has been a model system for the understanding of the interaction of alkali metals with surfaces. The geometries of the (2x2) structure of potassium on both single-crystal graphite (SCG) and highly oriented pyrolytic graphite (HOPG) were investigated for various preparation conditions for graphite temperatures between 55 and 140 K. In all cases, the geometry was found to consist of K atoms in the hollow sites on top of the surface. The K-graphite average perpendicular spacing is 2.79{+-}0.03 A , corresponding to an average C-K distance of 3.13{+-}0.03 A , and the spacing between graphite planes ismore » consistent with the bulk spacing of 3.35 A. No evidence was observed for a sublayer of potassium. The results of dynamical LEED studies for the clean SCG and HOPG surfaces indicate that the surface structures of both are consistent with the truncated bulk structure of graphite.« less

An Electron Microscopy Study of Graphite Growth in Nodular Cast Irons

NASA Astrophysics Data System (ADS)

Laffont, L.; Jday, R.; Lacaze, J.

2018-04-01

Growth of graphite during solidification and high-temperature solid-state transformation has been investigated in samples cut out from a thin-wall casting which solidified partly in the stable (iron-graphite) and partly in the metastable (iron-cementite) systems. Transmission electron microscopy has been used to characterize graphite nodules in as-cast state and in samples having been fully graphitized at various temperatures in the austenite field. Nodules in the as-cast material show a twofold structure characterized by an inner zone where graphite is disoriented and an outer zone where it is well crystallized. In heat-treated samples, graphite nodules consist of well-crystallized sectors radiating from the nucleus. These observations suggest that the disoriented zone appears because of mechanical deformation when the liquid contracts during its solidification in the metastable system. During heat-treatment, the graphite in this zone recrystallizes. In turn, it can be concluded that nodular graphite growth mechanism is the same during solidification and solid-state transformation.

Understanding the crack formation of graphite particles in cycled commercial lithium-ion batteries by focused ion beam - scanning electron microscopy

NASA Astrophysics Data System (ADS)

Lin, Na; Jia, Zhe; Wang, Zhihui; Zhao, Hui; Ai, Guo; Song, Xiangyun; Bai, Ying; Battaglia, Vincent; Sun, Chengdong; Qiao, Juan; Wu, Kai; Liu, Gao

2017-10-01

The structure degradation of commercial Lithium-ion battery (LIB) graphite anodes with different cycling numbers and charge rates was investigated by focused ion beam (FIB) and scanning electron microscopy (SEM). The cross-section image of graphite anode by FIB milling shows that cracks, resulted in the volume expansion of graphite electrode during long-term cycling, were formed in parallel with the current collector. The crack occurs in the bulk of graphite particles near the lithium insertion surface, which might derive from the stress induced during lithiation and de-lithiation cycles. Subsequently, crack takes place along grain boundaries of the polycrystalline graphite, but only in the direction parallel with the current collector. Furthermore, fast charge graphite electrodes are more prone to form cracks since the tensile strength of graphite is more likely to be surpassed at higher charge rates. Therefore, for LIBs long-term or high charge rate applications, the tensile strength of graphite anode should be taken into account.

Friction and wear of carbon-graphite materials for high-energy brakes

NASA Technical Reports Server (NTRS)

Bill, R. C.

1978-01-01

Caliper type brake simulation experiments were conducted on seven different carbon graphite materials formulations against a steel disk material and against a carbon graphite disk material. The effects of binder level, boron carbide (B4C) additions, SiC additions, graphite fiber additions, and graphite cloth reinforcement on friction and wear behavior were investigated. Reductions in binder level, additions of B4C, and additions of SiC each resulted in increased wear. The wear rate was not affected by the addition of graphite fibers. Transition to severe wear and high friction was observed in the case of graphite-cloth-reinforced carbon sliding against a disk of similar composition. The transition was related to the disruption of a continuous graphite shear film that must form on the sliding surfaces if low wear is to occur.

Supersonic Bare Metal Cluster Beams. Final Report

DOE R&D Accomplishments Database

Smalley, R. E.

1997-10-14

A major portion of the project involved elucidating the relation between reactivity and the electronic structure of transition-metal (TM) clusters of 2--200 atoms, which required the construction and continuous development of two principal apparati; the Fourier Transform-Ion Cyclotron Resonance (FT-ICR) apparatus, and Ultraviolet Photoelectron Spectroscopy (UPS). Together, these machines have enabled the most detailed probing of the structure and chemical reactivity of TM clusters. Clusters of all the transition metals were included in these studies. Fundamental aspects in chemisorption, reactivity, and heterogeneous catalysis have also become better understood as a result of these experiments for important classes of systems such as H{sub 2}, CO, and CO{sub 2} adsorbed onto clusters of many of the metals listed above. In particular, a correlation was found between reactivity of H{sub 2} with Fe, Co, and Ni clusters and differences between the cluster IP and EA. As recounted in a previous technical report, the DOE`s role in the initial discovery of fullerenes at Rice was central, and from the start investigations were made into metal atoms trapped in the fullerenes cage. More recently, the authors have discovered that 2--4 atoms of La, Y, or Sc can be produced by laser vaporization of composite graphite/metal-oxide disks. This work was largely motivated by the prospects of using such endohedral TM metals for their catalytic activity without the well-known difficulties of effective support media and lack of control over particle size. Thus, while it will certainly be important to discover ways to efficiently scale up production (e.g., the solar generation method explored with DOE support), the efforts have concentrated more on characterization, purification, and manipulation of doped fullerenes. For the past two years, much of the group`s effort has involved the production, purification, and characterization of carbon nanotubes.

Phase transitions and kinetic properties of gold nanoparticles confined between two-layer graphene nanosheets

NASA Astrophysics Data System (ADS)

Wang, Gang; Wu, Nanhua; Chen, Jionghua; Wang, Jinjian; Shao, Jingling; Zhu, Xiaolei; Lu, Xiaohua; Guo, Lucun

2016-11-01

The thermodynamic and kinetic behaviors of gold nanoparticles confined between two-layer graphene nanosheets (two-layer-GNSs) are examined and investigated during heating and cooling processes via molecular dynamics (MD) simulation technique. An EAM potential is applied to represent the gold-gold interactions while a Lennard-Jones (L-J) potential is used to describe the gold-GNS interactions. The MD melting temperature of 1345 K for bulk gold is close to the experimental value (1337 K), confirming that the EAM potential used to describe gold-gold interactions is reliable. On the other hand, the melting temperatures of gold clusters supported on graphite bilayer are corrected to the corresponding experimental values by adjusting the εAu-C value. Therefore, the subsequent results from current work are reliable. The gold nanoparticles confined within two-layer GNSs exhibit face center cubic structures, which is similar to those of free gold clusters and bulk gold. The melting points, heats of fusion, and heat capacities of the confined gold nanoparticles are predicted based on the plots of total energies against temperature. The density distribution perpendicular to GNS suggests that the freezing of confined gold nanoparticles starts from outermost layers. The confined gold clusters exhibit layering phenomenon even in liquid state. The transition of order-disorder in each layer is an essential characteristic in structure for the freezing phase transition of the confined gold clusters. Additionally, some vital kinetic data are obtained in terms of classical nucleation theory.

Rank-dependent deactivation in network evolution.

PubMed

Xu, Xin-Jian; Zhou, Ming-Chen

2009-12-01

A rank-dependent deactivation mechanism is introduced to network evolution. The growth dynamics of the network is based on a finite memory of individuals, which is implemented by deactivating one site at each time step. The model shows striking features of a wide range of real-world networks: power-law degree distribution, high clustering coefficient, and disassortative degree correlation.

Optimal Clustering in Graphs with Weighted Edges: A Unified Approach to the Threshold Problem.

ERIC Educational Resources Information Center

Goetschel, Roy; Voxman, William

1987-01-01

Relations on a finite set V are viewed as weighted graphs. Using the language of graph theory, two methods of partitioning V are examined: selecting threshold values and applying them to a maximal weighted spanning forest, and using a parametric linear program to obtain a most adhesive partition. (Author/EM)

Balance functions in coalescence model

NASA Astrophysics Data System (ADS)

Bialas, A.

2004-01-01

It is shown that the quark-antiquark coalescence mechanism for pion production allows to explain the small pseudorapidity width of the balance function observed for central collisions of heavy ions, provided effects of the finite acceptance region and of the transverse flow are taken into account. In contrast, the standard hadronic cluster model is not compatible with this data.

Fluid-deposited graphitic inclusions in quartz: Comparison between KTB (German Continental Deep-Drilling) core samples and artificially reequilibrated natural inclusions

USGS Publications Warehouse

Pasteris, J.D.; Chou, I.-Ming

1998-01-01

We used Raman microsampling spectroscopy (RMS) to determine the degree of crystallinity of minute (2-15 ??m) graphite inclusions in quartz in two sets of samples: experimentally reequilibrated fluid inclusions in a natural quartz grain and biotite-bearing paragneisses from the KTB deep drillhole in SE Germany. Our sequential reequilibration experiments at 725??C on initially pure CO2 inclusions in a quartz wafer and the J. Krautheim (1993) experiments at 900-1100??C on organic compounds heated in gold or platinum capsules suggest that, at a given temperature, (1) fluid-deposited graphite will have a lower crystallinity than metamorphosed organic matter and (2) that the crystallinity of fluid-deposited graphite is affected by the composition of the fluid from which it was deposited. We determined that the precipitation of more-crystalline graphite is favored by lower fH2 (higher fO2), and that the crystallinity of graphite is established by the conditions (including gas fugacities) that pertain as the fluid first reaches graphite saturation. Graphite inclusions within quartz grains in the KTB rocks show a wide range in crystallinity index, reflecting three episodes of carbon entrapment under different metamorphic conditions. Isolated graphite inclusions have the spectral properties of totally ordered, completely crystalline graphite. Such crystallinity suggests that the graphite was incorporated from the surrounding metasedimentary rocks, which underwent metamorphism at upper amphibolite-facies conditions. Much of the fluid-deposited graphite in fluid inclusions, however, shows some spectral disorder. The properties of that graphite resemble those of experimental precipitates at temperatures in excess of 700??C and at elevated pressures, suggesting that the inclusions represent precipitates from C-O-H fluids trapped under conditions near those of peak metamorphism at the KTB site. In contrast, graphite that is intimately associated with chlorite and other (presumably low-temperature) silicates in inclusions is highly disordered and spectrally resembles kerogens. This graphite probably was deposited during later greenschist-facies retrograde metamorphism at about 400-500??C. The degree of crystallinity of fluid-deposited graphite is shown to be a much more complex function of temperature than is the crystallinity of metamorphic graphite. To some extent, experiments can provide temperature-calibration of the crystallinity index. However, the difference in time scales between experimental runs and geologic processes makes it difficult to infer specific temperatures for naturally precipitated graphite. Copyright ?? 1998 Elsevier Science Ltd.

Extending cluster Lot Quality Assurance Sampling designs for surveillance programs

PubMed Central

Hund, Lauren; Pagano, Marcello

2014-01-01

Lot quality assurance sampling (LQAS) has a long history of applications in industrial quality control. LQAS is frequently used for rapid surveillance in global health settings, with areas classified as poor or acceptable performance based on the binary classification of an indicator. Historically, LQAS surveys have relied on simple random samples from the population; however, implementing two-stage cluster designs for surveillance sampling is often more cost-effective than simple random sampling. By applying survey sampling results to the binary classification procedure, we develop a simple and flexible non-parametric procedure to incorporate clustering effects into the LQAS sample design to appropriately inflate the sample size, accommodating finite numbers of clusters in the population when relevant. We use this framework to then discuss principled selection of survey design parameters in longitudinal surveillance programs. We apply this framework to design surveys to detect rises in malnutrition prevalence in nutrition surveillance programs in Kenya and South Sudan, accounting for clustering within villages. By combining historical information with data from previous surveys, we design surveys to detect spikes in the childhood malnutrition rate. PMID:24633656

Extending cluster lot quality assurance sampling designs for surveillance programs.

PubMed

Hund, Lauren; Pagano, Marcello

2014-07-20

Lot quality assurance sampling (LQAS) has a long history of applications in industrial quality control. LQAS is frequently used for rapid surveillance in global health settings, with areas classified as poor or acceptable performance on the basis of the binary classification of an indicator. Historically, LQAS surveys have relied on simple random samples from the population; however, implementing two-stage cluster designs for surveillance sampling is often more cost-effective than simple random sampling. By applying survey sampling results to the binary classification procedure, we develop a simple and flexible nonparametric procedure to incorporate clustering effects into the LQAS sample design to appropriately inflate the sample size, accommodating finite numbers of clusters in the population when relevant. We use this framework to then discuss principled selection of survey design parameters in longitudinal surveillance programs. We apply this framework to design surveys to detect rises in malnutrition prevalence in nutrition surveillance programs in Kenya and South Sudan, accounting for clustering within villages. By combining historical information with data from previous surveys, we design surveys to detect spikes in the childhood malnutrition rate. Copyright © 2014 John Wiley & Sons, Ltd.

Finding Groups Using Model-based Cluster Analysis: Heterogeneous Emotional Self-regulatory Processes and Heavy Alcohol Use Risk

PubMed Central

Mun, Eun-Young; von Eye, Alexander; Bates, Marsha E.; Vaschillo, Evgeny G.

2010-01-01

Model-based cluster analysis is a new clustering procedure to investigate population heterogeneity utilizing finite mixture multivariate normal densities. It is an inferentially based, statistically principled procedure that allows comparison of non-nested models using the Bayesian Information Criterion (BIC) to compare multiple models and identify the optimum number of clusters. The current study clustered 36 young men and women based on their baseline heart rate (HR) and HR variability (HRV), chronic alcohol use, and reasons for drinking. Two cluster groups were identified and labeled High Alcohol Risk and Normative groups. Compared to the Normative group, individuals in the High Alcohol Risk group had higher levels of alcohol use and more strongly endorsed disinhibition and suppression reasons for use. The High Alcohol Risk group showed significant HRV changes in response to positive and negative emotional and appetitive picture cues, compared to neutral cues. In contrast, the Normative group showed a significant HRV change only to negative cues. Findings suggest that the individuals with autonomic self-regulatory difficulties may be more susceptible to heavy alcohol use and use alcohol for emotional regulation. PMID:18331138

Model-based Clustering of Categorical Time Series with Multinomial Logit Classification

NASA Astrophysics Data System (ADS)

Frühwirth-Schnatter, Sylvia; Pamminger, Christoph; Winter-Ebmer, Rudolf; Weber, Andrea

2010-09-01

A common problem in many areas of applied statistics is to identify groups of similar time series in a panel of time series. However, distance-based clustering methods cannot easily be extended to time series data, where an appropriate distance-measure is rather difficult to define, particularly for discrete-valued time series. Markov chain clustering, proposed by Pamminger and Frühwirth-Schnatter [6], is an approach for clustering discrete-valued time series obtained by observing a categorical variable with several states. This model-based clustering method is based on finite mixtures of first-order time-homogeneous Markov chain models. In order to further explain group membership we present an extension to the approach of Pamminger and Frühwirth-Schnatter [6] by formulating a probabilistic model for the latent group indicators within the Bayesian classification rule by using a multinomial logit model. The parameters are estimated for a fixed number of clusters within a Bayesian framework using an Markov chain Monte Carlo (MCMC) sampling scheme representing a (full) Gibbs-type sampler which involves only draws from standard distributions. Finally, an application to a panel of Austrian wage mobility data is presented which leads to an interesting segmentation of the Austrian labour market.

Tubular graphite cones.

PubMed

Zhang, Guangyu; Jiang, Xin; Wang, Enge

2003-04-18

We report the synthesis of tubular graphite cones using a chemical vapor deposition method. The cones have nanometer-sized tips, micrometer-sized roots, and hollow interiors with a diameter ranging from about 2 to several tens of nanometers. The cones are composed of cylindrical graphite sheets; a continuous shortening of the graphite layers from the interior to the exterior makes them cone-shaped. All of the tubular graphite cones have a faceted morphology. The constituent graphite sheets have identical chiralities of a zigzag type across the entire diameter, imparting structural control to tubular-based carbon structures. The tubular graphite cones have potential for use as tips for scanning probe microscopy, but with greater rigidity and easier mounting than currently used carbon nanotubes.

Process for the fabrication of aluminum metallized pyrolytic graphite sputtering targets

DOEpatents

Makowiecki, D.M.; Ramsey, P.B.; Juntz, R.S.

1995-07-04

An improved method is disclosed for fabricating pyrolytic graphite sputtering targets with superior heat transfer ability, longer life, and maximum energy transmission. Anisotropic pyrolytic graphite is contoured and/or segmented to match the erosion profile of the sputter target and then oriented such that the graphite`s high thermal conductivity planes are in maximum contact with a thermally conductive metal backing. The graphite contact surface is metallized, using high rate physical vapor deposition (HRPVD), with an aluminum coating and the thermally conductive metal backing is joined to the metallized graphite target by one of four low-temperature bonding methods; liquid-metal casting, powder metallurgy compaction, eutectic brazing, and laser welding. 11 figs.

Environmentally benign graphite intercalation compound composition for exfoliated graphite, flexible graphite, and nano-scaled graphene platelets

DOEpatents

Zhamu, Aruna; Jang, Bor Z.

2014-06-17

A carboxylic-intercalated graphite compound composition for the production of exfoliated graphite, flexible graphite, or nano-scaled graphene platelets. The composition comprises a layered graphite with interlayer spaces or interstices and a carboxylic acid residing in at least one of the interstices, wherein the composition is prepared by a chemical oxidation reaction which uses a combination of a carboxylic acid and hydrogen peroxide as an intercalate source. Alternatively, the composition may be prepared by an electrochemical reaction, which uses a carboxylic acid as both an electrolyte and an intercalate source. Exfoliation of the invented composition does not release undesirable chemical contaminants into air or drainage.

Suspended-Bed Reactor preliminary design, /sup 233/U--/sup 232/Th cycle. Final report (revised)

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

Karam, R.A.; Alapour, A.; Lee, C.C.

1977-11-01

The preliminary design Suspended-Bed Reactor is described. Coated particles about 2 mm in diameter are used as the fuel. The coatings consist of three layers: (1) low density pyrolytic graphite, 70 ..mu.. thick, (2) silicon carbide pressure vessel, 30 ..mu.. thick, and (3) ZrC layer, 50 ..mu.. thick, to protect the pressure vessel from moisture and oxygen. The fuel kernel can be either uranium-thorium dicarbide or metal. The coated particles are suspended by helium gas (coolant) in a cluster of pressurized tubes. The upward flow of helium fluidizes the coated particles. As the flow rate increases, the bed of particlesmore » is lifted upward to the core section. The particles are restrained at the upper end of the core by a suitable screen. The overall particle density in the core is just enough for criticality condition. Should the helium flow cease, the bed in the core section will collapse, and the particles will flow downward into the section where the increased physical spacings among the tubes brings about a safe shutdown. By immersing this section of the tubes in a large graphite block to serve as a heat sink, dissipation of decay heat becomes manageable. This eliminates the need for emergency core cooling systems.« less

Reactive Capture of Gold Nanoparticles by Strongly Physisorbed Monolayers on Graphite

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

Wei, Xiaoliang; Tong, Wenjun; Fidler, Vlastimil

2012-12-01

Anthracene Diels Alder adducts (DAa) bearing two long side chains (H-(CH2)22O(CH2)6OCH2-) at the 1- and 5-positions form self-assembled monolayers (SAMs) at the phenyloctane - highly oriented pyrolytic graphite (HOPG) interface. The long DAa side chains promote strong physisorption of the monolayer to HOPG and maintain the monolayer morphology upon rinsing or incubation in ethanol and air-drying of the substrate. Incorporating a carboxylic acid group on the DAa core enables capture of 1 - 4 nm diameter gold nanoparticles (AuNP) provided (i) the monolayer containing DAa-carboxylic acids is treated with Cu2+ ions and (ii) the organic coating on the AuNP containsmore » carboxylic acids (11-mercaptoundecanoic acid, MUA-AuNP). AuNP capture by the monolayer proceeds with formation of Cu2+ - carboxylate coordination complexes. The captured AuNP appear as mono- and multi-layered clusters at high coverage on HOPG. The surface density of the captured AuNPs can be adjusted from AuNP multi-layers to isolated AuNPs by varying incubation times, MUA-AuNP concentration, the number density of carboxylic acids in the monolayer, the number of MUA per AuNP, and the post-incubation treatments.« less

Porous CNTs/Co Composite Derived from Zeolitic Imidazolate Framework: A Lightweight, Ultrathin, and Highly Efficient Electromagnetic Wave Absorber.

PubMed

Yin, Yichao; Liu, Xiaofang; Wei, Xiaojun; Yu, Ronghai; Shui, Jianglan

2016-12-21

Porous carbon nanotubes/cobalt nanoparticles (CNTs/Co) composite with dodecahedron morphology was synthesized by in situ pyrolysis of the Co-based zeolitic imidazolate framework in a reducing atmosphere. The morphology and microstructure of the composite can be well tuned by controlling the pyrolysis conditions. At lower pyrolysis temperature, the CNTs/Co composite is composed of well-dispersed Co nanoparticles and short CNT clusters with low graphitic degree. The increase of pyrolysis temperature/time promotes the growth and graphitization of CNTs and leads to the aggregation of Co nanoparticles. The optimized CNTs/Co composite exhibits strong dielectric and magnetic losses as well as a good impedance matching property. Interestingly, the CNTs/Co composite displays extremely strong electromagnetic wave absorption with a maximum reflection loss of -60.4 dB. More importantly, the matching thickness of the absorber is as thin as 1.81 mm, and the filler loading of composite in the matrix is only 20 wt %. The highly efficient absorption is closely related to the well-designed structure and the synergistic effect between CNTs and Co nanoparticles. The excellent absorbing performance together with lightweight and ultrathin thickness endows the CNTs/Co composite with the potential for application in the electromagnetic wave absorbing field.

Mineral resource of the month: graphite

USGS Publications Warehouse

,

2008-01-01

The article presents facts about graphite ideal for industrial applications. Among the characteristics of graphite are its metallic luster, softness, perfect basal cleavage and electrical conductivity. Batteries, brake linings and powdered metals are some of the products that make use of graphite. It attributes the potential applications for graphite in high-technology fields to innovations in thermal technology and acid-leaching techniques.

Nucleation and Growth of Graphite in Eutectic Spheroidal Cast Iron: Modeling and Testing

NASA Astrophysics Data System (ADS)

Carazo, Fernando D.; Dardati, Patricia M.; Celentano, Diego J.; Godoy, Luis A.

2016-06-01

A new model of graphite growth during the continuous cooling of eutectic spheroidal cast iron is presented in this paper. The model considers the nucleation and growth of graphite from pouring to room temperature. The microstructural model of solidification accounts for the eutectic as divorced and graphite growth rate as a function of carbon gradient at the liquid in contact with the graphite. In the solid state, the microstructural model takes into account three stages for graphite growth, namely (1) from the end of solidification to the upper bound of intercritical stable eutectoid, (2) during the intercritical stable eutectoid, and (3) from the lower bound of intercritical stable eutectoid to room temperature. The micro- and macrostructural models are coupled using a sequential multiscale approach. Numerical results for graphite fraction and size distribution are compared with experimental results obtained from a cylindrical cup, in which the graphite volumetric fraction and size distribution were obtained using the Schwartz-Saltykov approach. The agreements between the experimental and numerical results for the fraction of graphite and the size distribution of spheroids reveal the importance of numerical models in the prediction of the main aspects of graphite in spheroidal cast iron.

Graphitized-carbon fiber/carbon char fuel

DOEpatents

Cooper, John F [Oakland, CA

2007-08-28

A method for recovery of intact graphitic fibers from fiber/polymer composites is described. The method comprises first pyrolyzing the graphite fiber/polymer composite mixture and then separating the graphite fibers by molten salt electrochemical oxidation.

Who wins? Study of long-run trader survival in an artificial stock market

NASA Astrophysics Data System (ADS)

Cincotti, Silvano; M. Focardi, Sergio; Marchesi, Michele; Raberto, Marco

2003-06-01

We introduce a multi-asset artificial financial market with finite amount of cash and number of stocks. The background trading is characterized by a random trading strategy constrained by the finiteness of resources and by market volatility. Stock price processes exhibit volatility clustering, fat-tailed distribution of returns and reversion to the mean. Three active trading strategies have been introduced and studied in two different market conditions: steady market and growing market with asset inflation. We show that the profitability of each strategy depends both on the periodicity of portfolio reallocation and on the market condition. The best performing strategy is the one that exploits the mean reversion characteristic of asset price processes.

Thermodynamic Simulation of Equilibrium Composition of Reaction Products at Dehydration of a Technological Channel in a Uranium-Graphite Reactor

NASA Astrophysics Data System (ADS)

Pavliuk, A. O.; Zagumennov, V. S.; Kotlyarevskiy, S. G.; Bespala, E. V.

2018-01-01

The problems of accumulation of nuclear fuel spills in the graphite stack in the course of operation of uranium-graphite nuclear reactors are considered. The results of thermodynamic analysis of the processes in the graphite stack at dehydration of a technological channel, fuel element shell unsealing and migration of fission products, and activation of stable nuclides in structural elements of the reactor and actinides inside the graphite moderator are given. The main chemical reactions and compounds that are produced in these modes in the reactor channel during its operation and that may be hazardous after its shutdown and decommissioning are presented. Thermodynamic simulation of the equilibrium composition is performed using the specialized code TERRA. The results of thermodynamic simulation of the equilibrium composition in different cases of technological channel dehydration in the course of the reactor operation show that, if the temperature inside the active core of the nuclear reactor increases to the melting temperature of the fuel element, oxides and carbides of nuclear fuel are produced. The mathematical model of the nonstationary heat transfer in a graphite stack of a uranium-graphite reactor in the case of the technological channel dehydration is presented. The results of calculated temperature evolution at the center of the fuel element, the replaceable graphite element, the air gap, and in the surface layer of the block graphite are given. The numerical results show that, in the case of dehydration of the technological channel in the uranium-graphite reactor with metallic uranium, the main reaction product is uranium dioxide UO2 in the condensed phase. Low probability of production of pyrophoric uranium compounds (UH3) in the graphite stack is proven, which allows one to disassemble the graphite stack without the risk of spontaneous graphite ignition in the course of decommissioning of the uranium-graphite nuclear reactor.

Electrochemical treatment of evaporated residue of soak liquor generated from leather industry.

PubMed

Boopathy, R; Sekaran, G

2013-09-15

The organic and suspended solids present in soak liquor, generated from leather industry, demands treatment. The soak liquor is being segregated and evaporated in solar evaporation pans/multiple effect evaporator due to non availability of viable technology for its treatment. The residue left behind in the pans/evaporator does not carry any reuse value and also faces disposal threat due to the presence of high concentration of sodium chloride, organic and bacterial impurities. In the present investigation, the aqueous evaporated residue of soak liquor (ERSL) was treated by electrochemical oxidation. Graphite/graphite and SS304/graphite systems were used in electrochemical oxidation of organics in ERSL. Among these, graphite/graphite system was found to be effective over SS304/graphite system. Hence, the optimised conditions for the electrochemical oxidation of organics in ERSL using graphite/graphite system was evaluated by response surface methodology (RSM). The mass transport coefficient (km) was calculated based on pseudo-first order rate kinetics for both the electrode systems (graphite/graphite and SS304/graphite). The thermodynamic properties illustrated the electrochemical oxidation was exothermic and non-spontaneous in nature. The calculated specific energy consumption at the optimum current density of 50 mA cm(-2) was 0.41 kWh m(-3) for the removal of COD and 2.57 kWh m(-3) for the removal of TKN. Copyright © 2013 Elsevier B.V. All rights reserved.

AGC-2 Graphite Pre-irradiation Data Package

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

David Swank; Joseph Lord; David Rohrbaugh

2010-08-01

The NGNP Graphite R&D program is currently establishing the safe operating envelope of graphite core components for a Very High Temperature Reactor (VHTR) design. The program is generating quantitative data necessary for predicting the behavior and operating performance of the new nuclear graphite grades. To determine the in-service behavior of the graphite for pebble bed and prismatic designs, the Advanced Graphite Creep (AGC) experiment is underway. This experiment is examining the properties and behavior of nuclear grade graphite over a large spectrum of temperatures, neutron fluences and compressive loads. Each experiment consists of over 400 graphite specimens that are characterizedmore » prior to irradiation and following irradiation. Six experiments are planned with the first, AGC-1, currently being irradiated in the Advanced Test Reactor (ATR) and pre-irradiation characterization of the second, AGC-2, completed. This data package establishes the readiness of 512 specimens for assembly into the AGC-2 capsule.« less

Preparation and Characterization of Graphite Waste/CeO2 Composites

NASA Astrophysics Data System (ADS)

Kusrini, E.; Utami, C. S.; Nasruddin; Prasetyanto, E. A.; Bawono, Aji A.

2018-03-01

In this research, the chemical modification of graphite waste with CeO2 was developed and characterized. Graphite waste was pretreated with mechanical to obtain the size 200 mesh (75 μm), and thermal methods at 110°C oven for 6 hours. Here, we demonstrate final properties of graphite before modification (GBM), activated graphite (GA) and graphite/CeO2 composite with variation of 0.5, 1 and 2 g of CeO2 (G0.5; G1; G2). The effect of CeO2 concentration was observed. The presence of cerium in modified graphite samples (G0.5; G1; G2) were analyzed using SEM-EDX. The results show that the best surface area was found in G2 is 26.82 m2/g. The presence of CeO2 onto graphite surface does not significantly increase the surface area of composites.

Monolithic porous graphitic carbons obtained through catalytic graphitization of carbon xerogels

NASA Astrophysics Data System (ADS)

Kiciński, Wojciech; Norek, Małgorzata; Bystrzejewski, Michał

2013-01-01

Pyrolysis of organic xerogels accompanied by catalytic graphitization and followed by selective-combustion purification was used to produce porous graphitic carbons. Organic gels impregnated with iron(III) chloride or nickel(II) acetate were obtained through polymerization of resorcinol and furfural. During the pyrolysis stage graphitization of the gel matrix occurs, which in turn develops mesoporosity of the obtained carbons. The evolution of the carbon into graphitic structures is strongly dependent on the concentrations of the transition metal. Pyrolysis leads to monoliths of carbon xerogel characterized by substantially enhanced mesoporosity resulting in specific surface areas up to 400 m2/g. Removal of the amorphous carbon by selective-combustion purification reduces the xerogels' mesoporosity, occasionally causing loss of their mechanical strength. The graphitized carbon xerogels were investigated by means of SEM, XRD, Raman scattering, TG-DTA and N2 physisorption. Through this procedure well graphitized carbonaceous materials can be obtained as bulk pieces.

Friction and wear of carbon-graphite materials for high energy brakes

NASA Technical Reports Server (NTRS)

Bill, R. C.

1975-01-01

Caliper-type brakes simulation experiments were conducted on seven different carbon-graphite material formulations against a steel disk material and against a carbon-graphite disk material. The effects of binder level, boron carbide (B4C) additions, graphite fiber additions, and graphite cloth reinforcement on friction and wear behavior were investigated. Reductions in binder level and additions of B4C each resulted in increased wear. The wear rate was not affected by the addition of graphite fibers. Transition to severe wear and high friction was observed in the case of graphite-cloth-reinforced carbon sliding against a disk of similar composition. This transition was related to the disruption of a continuous graphite shear film that must form on the sliding surfaces if low wear is to occur. The exposure of the fiber structure of the cloth constituent is believed to play a role in the shear film disruption.

Mirrorless lasing from light emitters in percolating clusters

NASA Astrophysics Data System (ADS)

Burlak, Gennadiy; Rubo, Y. G.

2015-07-01

We describe the lasing effect in the three-dimensional percolation system, where the percolating cluster is filled by active media composed by light emitters excited noncoherently. We show that, due to the presence of a topologically nontrivial photonic structure, the stimulated emission is modified with respect to both conventional and random lasers. The time dynamics and spectra of the lasing output are studied numerically with finite-difference time-domain approach. The Fermat principle and Monte Carlo approach are applied to characterize the optimal optical path and interconnection between the radiating emitters. The spatial structure of the laser mode is found by a long-time FDTD simulation.

Clustering in the Three and Four Color Cyclic Particle Systems in One Dimension

NASA Astrophysics Data System (ADS)

Foxall, Eric; Lyu, Hanbaek

2018-03-01

We study the κ -color cyclic particle system on the one-dimensional integer lattice Z , first introduced by Bramson and Griffeath (Ann Prob:26-45, 1989). In that paper they show that almost surely, every site changes its color infinitely often if κ \\in {3,4} and only finitely many times if κ ≥ 5 . In addition, they conjecture that for κ \\in {3,4} the system clusters, that is, for any pair of sites x, y, with probability tending to 1 as t→ ∞, x and y have the same color at time t. Here we prove that conjecture.

Automated eddy current analysis of materials

NASA Technical Reports Server (NTRS)

Workman, Gary L.

1990-01-01

This research effort focused on the use of eddy current techniques for characterizing flaws in graphite-based filament-wound cylindrical structures. A major emphasis was on incorporating artificial intelligence techniques into the signal analysis portion of the inspection process. Developing an eddy current scanning system using a commercial robot for inspecting graphite structures (and others) has been a goal in the overall concept and is essential for the final implementation for expert system interpretation. Manual scans, as performed in the preliminary work here, do not provide sufficiently reproducible eddy current signatures to be easily built into a real time expert system. The expert systems approach to eddy current signal analysis requires that a suitable knowledge base exist in which correct decisions as to the nature of the flaw can be performed. In eddy current or any other expert systems used to analyze signals in real time in a production environment, it is important to simplify computational procedures as much as possible. For that reason, we have chosen to use the measured resistance and reactance values for the preliminary aspects of this work. A simple computation, such as phase angle of the signal, is certainly within the real time processing capability of the computer system. In the work described here, there is a balance between physical measurements and finite element calculations of those measurements. The goal is to evolve into the most cost effective procedures for maintaining the correctness of the knowledge base.

Scaling behavior of ground-state energy cluster expansion for linear polyenes

NASA Astrophysics Data System (ADS)

Griffin, L. L.; Wu, Jian; Klein, D. J.; Schmalz, T. G.; Bytautas, L.

Ground-state energies for linear-chain polyenes are additively expanded in a sequence of terms for chemically relevant conjugated substructures of increasing size. The asymptotic behavior of the large-substructure limit (i.e., high-polymer limit) is investigated as a means of characterizing the rapidity of convergence and consequent utility of this energy cluster expansion. Consideration is directed to computations via: simple Hückel theory, a refined Hückel scheme with geometry optimization, restricted Hartree-Fock self-consistent field (RHF-SCF) solutions of fixed bond-length Parisier-Parr-Pople (PPP)/Hubbard models, and ab initio SCF approaches with and without geometry optimization. The cluster expansion in what might be described as the more "refined" approaches appears to lead to qualitatively more rapid convergence: exponentially fast as opposed to an inverse power at the simple Hückel or SCF-Hubbard levels. The substructural energy cluster expansion then seems to merit special attention. Its possible utility in making accurate extrapolations from finite systems to extended polymers is noted.

Continuum theory for cluster morphologies of soft colloids.

PubMed

Kosmrlj, A; Pauschenwein, G J; Kahl, G; Ziherl, P

2011-06-09

We introduce a continuum description of the thermodynamics of colloids with a core-corona architecture. In the case of thick coronas, their overlap can be treated approximately by replacing the exact one-particle density distribution by a suitably shaped step profile, which provides a convenient way of modeling the spherical, columnar, lamellar, and inverted cluster morphologies predicted by numerical simulations and the more involved theories. We use the model to study monodisperse particles with the hard-core/square-shoulder pair interaction as the simplest representatives of the core-corona class. We derive approximate analytical expressions for the enthalpies of the cluster morphologies which offer a clear insight into the mechanisms at work, and we calculate the lattice spacing and the cluster size for all morphologies of the phase sequence as well as the phase-transition pressures. By comparing the results with the exact crystalline minimum-enthalpy configurations, we show that the accuracy of the theory increases with shoulder width. We discuss possible extensions of the theory that could account for the finite-temperature effects.

Ground-State Properties of Unitary Bosons: From Clusters to Matter

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

Carlson, J.; Gandolfi, S.; van Kolck, U.

The properties of cold Bose gases at unitarity have been extensively investigated in the last few years both theoretically and experimentally. In this paper we use a family of interactions tuned to two-body unitarity and very weak three-body binding to demonstrate the universal properties of both clusters and matter. We determine the universal properties of finite clusters up to 60 particles and, for the first time, explicitly demonstrate the saturation of energy and density with particle number and compare with bulk properties. At saturation in the bulk we determine the energy, density, two- and three-body contacts, and the condensate fraction.more » We find that uniform matter is more bound than three-body clusters by nearly 2 orders of magnitude, the two-body contact is very large in absolute terms, and yet the condensate fraction is also very large, greater than 90%. Finally, equilibrium properties of these systems may be experimentally accessible through rapid quenching of weakly interacting boson superfluids.« less

Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters

PubMed Central

2017-01-01

Metal–molecule–metal junctions are the key components of molecular electronics circuits. Gaining a microscopic understanding of their conducting properties is central to advancing the field. In the present contribution, we highlight the fundamental differences between single-molecule and ensemble junctions focusing on the fundamentals of transport through molecular clusters. In this way, we elucidate the collective behavior of parallel molecular wires, bridging the gap between single molecule and large-area monolayer electronics, where even in the latter case transport is usually dominated by finite-size islands. On the basis of first-principles charge-transport simulations, we explain why the scaling of the conductivity of a junction has to be distinctly nonlinear in the number of molecules it contains. Moreover, transport through molecular clusters is found to be highly inhomogeneous with pronounced edge effects determined by molecules in locally different electrostatic environments. These effects are most pronounced for comparably small clusters, but electrostatic considerations show that they prevail also for more extended systems. PMID:29043825

Ground-State Properties of Unitary Bosons: From Clusters to Matter

DOE PAGES

Carlson, J.; Gandolfi, S.; van Kolck, U.; ...

2017-11-29

The properties of cold Bose gases at unitarity have been extensively investigated in the last few years both theoretically and experimentally. In this paper we use a family of interactions tuned to two-body unitarity and very weak three-body binding to demonstrate the universal properties of both clusters and matter. We determine the universal properties of finite clusters up to 60 particles and, for the first time, explicitly demonstrate the saturation of energy and density with particle number and compare with bulk properties. At saturation in the bulk we determine the energy, density, two- and three-body contacts, and the condensate fraction.more » We find that uniform matter is more bound than three-body clusters by nearly 2 orders of magnitude, the two-body contact is very large in absolute terms, and yet the condensate fraction is also very large, greater than 90%. Finally, equilibrium properties of these systems may be experimentally accessible through rapid quenching of weakly interacting boson superfluids.« less

Surface properties for α-cluster nuclear matter

NASA Astrophysics Data System (ADS)

Castro, J. J.; Soto, J. R.; Yépez, E.

2013-03-01

We introduce a new microscopic model for α-cluster matter, which simulates the properties of ordinary nuclear matter and α-clustering in a curved surface of a large but finite nucleus. The model is based on a nested icosahedral fullerene-like multiple-shell structure, where each vertex is occupied by a microscopic α-particle. The novel aspect of this model is that it allows a consistent description of nuclear surface properties from microscopic parameters to be made without using the leptodermous expansion. In particular, we show that the calculated surface energy is in excellent agreement with the corresponding coefficient of the Bethe-Weizäcker semi-empirical mass formula. We discuss the properties of the surface α-cluster state, which resembles an ultra cold bosonic quantum gas trapped in an optical lattice. By comparing the surface and interior states we are able to estimate the α preformation probability. Possible extensions of this model to study nuclear dynamics through surface vibrations and departures from approximate sphericity are mentioned.

Theoretical research program to predict the properties of molecules and clusters containing transition metal atoms

NASA Technical Reports Server (NTRS)

Walch, S.

1984-01-01

The primary focus of this research has been the theoretical study of transition metal (TM) chemistry. A major goal of this work is to provide reliable information about the interaction of H atoms with iron metal. This information is needed to understand the effect of H atoms on the processes of embrittlement and crack propagation in iron. The method in the iron hydrogen studies is the cluster method in which the bulk metal is modelled by a finite number of iron atoms. There are several difficulties in the application of this approach to the hydrogen iron system. First the nature of TM-TM and TM-H bonding for even diatomic molecules was not well understood when these studies were started. Secondly relatively large iron clusters are needed to provide reasonable results.

Porous carbon-coated graphite electrodes for energy production from salinity gradient using reverse electrodialysis

NASA Astrophysics Data System (ADS)

Lee, Su-Yoon; Jeong, Ye-Jin; Chae, So-Ryong; Yeon, Kyeong-Ho; Lee, Yunkyu; Kim, Chan-Soo; Jeong, Nam-Jo; Park, Jin-Soo

2016-04-01

Performance of graphite foil electrodes coated by porous carbon black (i.e., Vulcan) was investigated in comparison with metal electrodes for reverse electrodialysis (RED) application. The electrode slurry that was used for fabrication of the porous carbon-coated graphite foil is composed of 7.2 wt% of carbon black (Vulcan X-72), 0.8 wt% of a polymer binder (polyvinylidene fluoride, PVdF), and 92.0 wt% of a mixing solvent (dimethylacetamide, DMAc). Cyclic voltammograms of both the porous carbon (i.e., Vulcan)-coated graphite foil electrode and the graphite foil electrode without Vulcan showed good reversibility in the hexacyanoferrate(III) (i.e., Fe(CN)63-) and hexacyanoferrate(II) (i.e., Fe(CN)64-) redox couple and 1 M Na2SO4 at room temperature. However, anodic and cathodic current of the Vulcan-coated graphite foil electrode was much higher than those of the graphite foil electrode. Using a bench-scale RED stack, the current-voltage polarization curve of the Vulcan-coated graphite electrode was compared to that of metal electrodes such as iridium (Ir) and platinum (Pt). From the results, it was confirmed that resistance of four different electrodes increased with the following order: the Vulcan-coated graphite foil

Comparison between the Strength Levels of Baseline Nuclear-Grade Graphite and Graphite Irradiated in AGC-2

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

Carroll, Mark Christopher

2015-07-01

This report details the initial comparison of mechanical strength properties between the cylindrical nuclear-grade graphite specimens irradiated in the second Advanced Graphite Creep (AGC-2) experiment with the established baseline, or unirradiated, mechanical properties compiled in the Baseline Graphite Characterization program. The overall comparative analysis will describe the development of an appropriate test protocol for irradiated specimens, the execution of the mechanical tests on the AGC-2 sample population, and will further discuss the data in terms of developing an accurate irradiated property distribution in the limited amount of irradiated data by leveraging the considerably larger property datasets being captured in themore » Baseline Graphite Characterization program. Integrating information on the inherent variability in nuclear-grade graphite with more complete datasets is one of the goals of the VHTR Graphite Materials program. Between “sister” specimens, or specimens with the same geometry machined from the same sub-block of graphite from which the irradiated AGC specimens were extracted, and the Baseline datasets, a comprehensive body of data will exist that can provide both a direct and indirect indication of the full irradiated property distributions that can be expected of irradiated nuclear-grade graphite while in service in a VHTR system. While the most critical data will remain the actual irradiated property measurements, expansion of this data into accurate distributions based on the inherent variability in graphite properties will be a crucial step in qualifying graphite for nuclear use as a structural material in a VHTR environment.« less

Influence of graphite-alloy interactions on corrosion of Ni-Mo-Cr alloy in molten fluorides

NASA Astrophysics Data System (ADS)

Ai, Hua; Hou, Juan; Ye, Xiang-Xi; Zeng, Chao Liu; Sun, Hua; Li, Xiaoyun; Yu, Guojun; Zhou, Xingtai; Wang, Jian-Qiang

2018-05-01

In this study, the effects of graphite-alloy interaction on corrosion of Ni-Mo-Cr alloy in molten FLiNaK salt were investigated. The corrosion tests of Ni-Mo-Cr alloys were conducted in graphite crucibles, to examine the differences of test specimens in conditions of electric contact and isolated with graphite, respectively. The corrosion attack is severer with more weight loss and deeper Cr depletion layer in samples electric contact with graphite than those isolated with graphite. The occurrence of galvanic corrosion between alloy specimens and graphite container was confirmed by electrochemical measurement. The corrosion is controlled by nonelectric transfer in isolated test while electrochemical reaction accelerated corrosion in electric contact test.

The origin of epigenetic graphite: evidence from isotopes

USGS Publications Warehouse

Weis, P.L.; Friedman, I.; Gleason, J.P.

1981-01-01

Stable carbon isotope ratios measured in syngenetic graphite, epigenetic graphite, and graphitic marble suggests that syngenetic graphite forms only by the metamorphism of carbonaceous detritus. Metamorphism of calcareous rocks with carbonaceous detritus is accompanied by an exchange of carbon between the two, which may result in large changes in isotopic composition of the non-carbonate phase but does not affect the relative proportions of the two reactants in the rock. Epigenetic graphite forms only from carbonaceous material or preexisting graphite. The reactions involved are the water gas reaction (C + H2O ??? CO + H2) at 800-900??C, and the Boudouard reaction (2CO ??? C + CO2), which probably takes place at temperatures about 50-100??C lower. ?? 1982.

Method of producing exfoliated graphite, flexible graphite, and nano-scaled graphene platelets

DOEpatents

Zhamu, Aruna; Shi, Jinjun; Guo, Jiusheng; Jang, Bor Z.

2010-11-02

The present invention provides a method of exfoliating a layered material (e.g., graphite and graphite oxide) to produce nano-scaled platelets having a thickness smaller than 100 nm, typically smaller than 10 nm. The method comprises (a) dispersing particles of graphite, graphite oxide, or a non-graphite laminar compound in a liquid medium containing therein a surfactant or dispersing agent to obtain a stable suspension or slurry; and (b) exposing the suspension or slurry to ultrasonic waves at an energy level for a sufficient length of time to produce separated nano-scaled platelets. The nano-scaled platelets are candidate reinforcement fillers for polymer nanocomposites. Nano-scaled graphene platelets are much lower-cost alternatives to carbon nano-tubes or carbon nano-fibers.

METHOD FOR COATING GRAPHITE WITH METALLIC CARBIDES

DOEpatents

Steinberg, M.A.

1960-03-22

A method for producing refractory coatings of metallic carbides on graphite was developed. In particular, the graphite piece to be coated is immersed in a molten solution of 4 to 5% by weight of zirconium, titanium, or niobium dissolved in tin. The solution is heated in an argon atmosphere to above 1400 deg C, whereby the refractory metal reacts with the surface of the graphite to form a layer of metalic carbide. The molten solution is cooled to 300 to 400 deg C, and the graphite piece is removed. Excess tin is wiped from the graphite, which is then heated in vacuum to above 2300 deg C. The tin vaporizes from the graphite surface, leaving the surface coated with a tenacious layer of refractory metallic carbide.

Recent Advances in Preparation, Structure, Properties and Applications of Graphite Oxide.

PubMed

Srivastava, Suneel Kumar; Pionteck, Jürgen

2015-03-01

Graphite oxide, also referred as graphitic oxide or graphitic acid, is an oxidized bulk product of graphite with a variable composition. However, it did not receive immense attention until it was identified as an important and easily obtainable precursor for the preparation of graphene. This inspired many researchers to explore facts related to graphite oxide in exploiting its fascinating features. The present article culminates up-dated review on different preparative methods, morphology and characterization of physical/chemical properties of graphite oxide by XRD, XPS, FTIR, Raman, NMR, UV-visible, and DRIFT analyses. Finally, recent developments on intercalation and applications of GO in multifaceted areas of catalysis, sensor, supercapacitors, water purification, hydrogen storage and magnetic shielding etc. has also been reviewed.

CMB-13 research on carbon and graphite

NASA Technical Reports Server (NTRS)

Smith, M. C.

1972-01-01

The research on graphite and carbon for this period is reported. Topics discussed include: effects of grinding on the Santa Marie graphites, properties and purities of coal-tar, resin-bonded graphite, carbonization of resin components, and glass-like carbon filler.

Tribological Analysis of Copper-Coated Graphite Particle-Reinforced A359 Al/5 wt.% SiC Composites

NASA Astrophysics Data System (ADS)

Lin, C. B.; Wang, T. C.; Chang, Z. C.; Chu, H. Y.

2013-01-01

Copper-coated graphite particles can be mass-produced by the cementation process using simple equipment. Graphite particulates that were coated with electroless copper and 5 wt.% SiC particulates were introduced into an aluminum alloy by compocasting to make A359 Al/5 wt.% SiC(p) composite that contained 2, 4, 6, and 8 wt.% graphite particulate composite. The effects of SiC particles, quantity of graphite particles, normal loading, sliding speed and wear debris on the coefficient of friction, and the wear rate were investigated. The results thus obtained indicate that the wear properties were improved by adding small amounts of SiC and graphite particles into the A359 Al alloy. The coefficient of friction of the A359 Al/5 wt.% SiC(p) composite that contained 6.0 wt.% graphite particulates was reduced to 0.246 and the amount of graphite film that was released on the worn surface increased with the graphite particulate content. The coefficient of friction and the wear rate were insensitive to the variation in the sliding speed and normal loading.

Preparation and characterization of copper-graphite composites by electrical explosion of wire in liquid.

PubMed

Bien, T N; Gul, W H; Bac, L H; Kim, J C

2014-11-01

Copper-graphite nanocomposites containing 5 vol.% graphite were prepared by a powder metallurgy route using an electrical wire explosion (EEW) in liquid method and spark plasma sintering (SPS) process. Graphite rods with a 0.3 mm diameter and copper wire with a 0.2 mm diameter were used as raw materials for EEWin liquid. To compare, a pure copper and copper-graphite mixture was also prepared. The fabricated graphite was in the form of a nanosheet, onto which copper particles were coated. Sintering was performed at 900 degrees C at a heating rate of 30 degrees C/min for 10 min and under a pressure of 70 MPa. The density of the sintered composite samples was measured by the Archimedes method. A wear test was performed by a ball-on-disc tribometer under dry conditions at room temperature in air. The presence of graphite effectively reduced the wear of composites. The copper-graphite nanocomposites prepared by EEW had lower wear rates than pure copper material and simple mixed copper-graphite.

Understanding the crack formation of graphite particles in cycled commercial lithium-ion batteries by focused ion beam - scanning electron microscopy

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

Lin, Na; Jia, Zhe; Wang, Zhihui

Here in this paper, the structure degradation of commercial Lithium-ion battery (LIB) graphite anodes with different cycling numbers and charge rates was investigated by focused ion beam (FIB) and scanning electron microscopy (SEM). The cross-section image of graphite anode by FIB milling shows that cracks, resulted in the volume expansion of graphite electrode during long-term cycling, were formed in parallel with the current collector. The crack occurs in the bulk of graphite particles near the lithium insertion surface, which might derive from the stress induced during lithiation and de-lithiation cycles. Subsequently, crack takes place along grain boundaries of the polycrystallinemore » graphite, but only in the direction parallel with the current collector. Furthermore, fast charge graphite electrodes are more prone to form cracks since the tensile strength of graphite is more likely to be surpassed at higher charge rates. Therefore, for LIBs long-term or high charge rate applications, the tensile strength of graphite anode should be taken into account.« less

Understanding the crack formation of graphite particles in cycled commercial lithium-ion batteries by focused ion beam - scanning electron microscopy

DOE PAGES

Lin, Na; Jia, Zhe; Wang, Zhihui; ...

2017-10-01

Here in this paper, the structure degradation of commercial Lithium-ion battery (LIB) graphite anodes with different cycling numbers and charge rates was investigated by focused ion beam (FIB) and scanning electron microscopy (SEM). The cross-section image of graphite anode by FIB milling shows that cracks, resulted in the volume expansion of graphite electrode during long-term cycling, were formed in parallel with the current collector. The crack occurs in the bulk of graphite particles near the lithium insertion surface, which might derive from the stress induced during lithiation and de-lithiation cycles. Subsequently, crack takes place along grain boundaries of the polycrystallinemore » graphite, but only in the direction parallel with the current collector. Furthermore, fast charge graphite electrodes are more prone to form cracks since the tensile strength of graphite is more likely to be surpassed at higher charge rates. Therefore, for LIBs long-term or high charge rate applications, the tensile strength of graphite anode should be taken into account.« less

Study of evaporating the irradiated graphite in equilibrium low-temperature plasma

NASA Astrophysics Data System (ADS)

Bespala, E. V.; Novoselov, I. Yu.; Pavlyuk, A. O.; Kotlyarevskiy, S. G.

2018-01-01

The paper describes a problem of accumulation of irradiated graphite due to operation of uranium-graphite nuclear reactors. The main noncarbon contaminants that contribute to the overall activity of graphite elements are iso-topes 137Cs, 60Co, 90Sr, 36Cl, and 3H. A method was developed for processing of irradiated graphite ensuring the volu-metric decontamination of samples. The calculation results are presented for equilibrium composition of plasma-chemical reactions in systems "irradiated graphite-argon" and "irradiated graphite-helium" for a wide range of tem-peratures. The paper describes a developed mathematical model for the process of purification of a porous graphite surface treated by equilibrium low-temperature plasma. The simulation results are presented for the rate of sublimation of radioactive contaminants as a function of plasma temperature and plasma flow velocity when different plasma-forming gases are used. The extraction coefficient for the contaminant 137Cs from the outer side of graphite pores was calculated. The calculations demonstrated the advantages of using a lighter plasma forming gas, i.e., helium.

Hybridized polymer matrix composites

NASA Technical Reports Server (NTRS)

House, E. E.; Hoggatt, J. T.; Symonds, W. A.

1980-01-01

The extent to which graphite fibers are released from resin matrix composites that are exposed to fire and impact conditions was determined. Laboratory simulations of those conditions that could exist in the event of an aircraft crash and burn situation were evaluated. The effectiveness of various hybridizing concepts in preventing this release of graphite fibers were also evaluated. The baseline (i.e., unhybridized) laminates examined were prepared from commercially available graphite/epoxy, graphite/polyimide, and graphite/phenolic materials. Hybridizing concepts investigated included resin fillers, laminate coatings, resin blending, and mechanical interlocking of the graphite reinforcement. The baseline and hybridized laminates' mechanical properties, before and after isothermal and humidity aging, were also compared. It was found that a small amount of graphite fiber was released from the graphite/epoxy laminates during the burn and impact conditions used in this program. However, the extent to which the fibers were released is not considered a severe enough problem to preclude the use of graphite reinforced composites in civil aircraft structure. It also was found that several hybrid concepts eliminated this fiber release. Isothermal and humidity aging did not appear to alter the fiber release tendencies.

Chemical Characterization and Removal of C-14 from Irradiated Graphite-12010

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

Cleaver, James; McCrory, Shilo; Smith, Tara E.

2012-07-01

Quantities of irradiated graphite waste are expected to drastically increase, which indicates the need for a graphite waste management strategy. Of greatest concern for long-term disposal of irradiated graphite is carbon-14 (C-14), with a half-life of 5730 years. Study of irradiated graphite from nuclear reactors indicates C-14 is concentrated on the outer 5 mm of the graphite structure. The aim of the research described here is to identify the chemical form of C-14 in irradiated graphite and develop a practical method by which C-14 can be removed. Characterization of pre- and post-irradiation graphite was conducted to determine bond type, functionalmore » groups, location and concentration of C-14 and its precursors via the use of surface sensitive characterization techniques. Because most surface C-14 originates from neutron activation of nitrogen, an understanding of nitrogen bonding to graphite may lead to a greater understanding of the formation pathway of C-14. However, no single technique provides a complete picture. Therefore, a portfolio of techniques has been developed, with each technique providing another piece to the puzzle that is the chemical nature of the C-14. Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD), and Raman Spectroscopy were used to evaluate the morphological features of graphite samples. The concentration, chemical composition, and bonding characteristics of C-14 and its precursors were determined through X-ray Photoelectron Spectroscopy (XPS), Time-of-Flight Secondary Ion Mass Spectrometry (SIMS), and Auger and Energy Dispersive X-ray Analysis Spectroscopy (EDX). High-surface-area graphite foam, POCOFoam{sup R}, was exposed to liquid nitrogen and irradiated. Characterization of this material has shown C-14 to C-12 ratios of 0.035. This information was used to optimize the thermal treatment of graphite. Thermal treatment of irradiated graphite as reported by Fachinger et al. (2007) uses naturally adsorbed oxygen complexes to gasify graphite, thus its effectiveness is highly dependent on the availability of adsorbed oxygen compounds. In research presented, the quantity and form of adsorbed oxygen complexes in pre- and post irradiated graphite was studied using SIMS and XPS. SIMS and XPS detected adsorbed oxygen compounds on both irradiated and unirradiated graphite. During thermal treatment graphite samples are heated in the presence of inert argon gas, which carries off gaseous products released during treatment. Experiments were performed at 900 deg. C and 1400 deg. C to evaluate the selective removal of C-14. (authors)« less

Performance evaluation and characterization of metallic bipolar plates in a proton exchange membrane (PEM) fuel cell

NASA Astrophysics Data System (ADS)

Hung, Yue

Bipolar plate and membrane electrode assembly (MEA) are the two most repeated components of a proton exchange membrane (PEM) fuel cell stack. Bipolar plates comprise more than 60% of the weight and account for 30% of the total cost of a fuel cell stack. The bipolar plates perform as current conductors between cells, provide conduits for reactant gases, facilitate water and thermal management through the cell, and constitute the backbone of a power stack. In addition, bipolar plates must have excellent corrosion resistance to withstand the highly corrosive environment inside the fuel cell, and they must maintain low interfacial contact resistance throughout the operation to achieve optimum power density output. Currently, commercial bipolar plates are made of graphite composites because of their relatively low interfacial contact resistance (ICR) and high corrosion resistance. However, graphite composite's manufacturability, permeability, and durability for shock and vibration are unfavorable in comparison to metals. Therefore, metals have been considered as a replacement material for graphite composite bipolar plates. Since bipolar plates must possess the combined advantages of both metals and graphite composites in the fuel cell technology, various methods and techniques are being developed to combat metallic corrosion and eliminate the passive layer formed on the metal surface that causes unacceptable power reduction and possible fouling of the catalyst and the electrolyte. The main objective of this study was to explore the possibility of producing efficient, cost-effective and durable metallic bipolar plates that were capable of functioning in the highly corrosive fuel cell environment. Bulk materials such as Poco graphite, graphite composite, SS310, SS316, incoloy 800, titanium carbide and zirconium carbide were investigated as potential bipolar plate materials. In this work, different alloys and compositions of chromium carbide coatings on aluminum and SS316 substrates were also tested for suitability in performing as PEM fuel cell bipolar plates. Interfacial contact resistance and accelerated corrosion resistance tests were carried out for various bulk materials and chromium carbide coatings. Results of the study showed that chromium carbide protective coatings had relatively low interfacial contact resistance and moderate corrosion resistance in comparison to other metals. Single fuel cells with 6.45cm2 and 50cm2 active areas were fabricated and tested for performance and lifetime durability using chromium carbide coated aluminum bipolar plates and graphite composite bipolar plates as a control reference. Polarization curves and power curves were recorded from these single cells under various load conditions. The results showed that coated aluminum bipolar plates had an advantage of anchoring the terminals directly into the plates resulting in higher power density of the fuel cell. This was due to the elimination of additional ICR to the power stack caused by the need for extra terminal plates. However, this study also revealed that direct terminal anchoring was efficient and useable only with metallic bipolar plates but was inapplicable to graphite composite plates due to the poor mechanical strength and brittleness of the graphite composite material. In addition, the 1000 hour lifetime testing of coated aluminum single cells conducted at 70°C cell temperature under cyclic loading condition showed minimal power degradation (<5%) due to metal corrosion. Surface characterization was also conducted on the bipolar plates and MEAs to identify possible chemical change to their surfaces during the fuel cell operation and the electrochemical reaction. The single cell performance evaluation was complemented by an extended study on the fuel cell stack level. For the latter, a ten-cell graphite composite stack with a 40 cm2 active area was fabricated and evaluated for the effect of humidity and operating temperature on the stack performance. Graphite plates were selected for this study to eliminate any possible metal corrosion. A finite element analysis (FEA) model of a bipolar plate was developed to evaluate the effect of air cooling system design parameters and different bipolar plate materials on maintaining the PEM power stack at a safe operating temperature of 80°C or less. In the final stage of this work, a three-cell metallic stack with a 50 cm2 active area and coated aluminum bipolar plates was fabricated based on the positive results that were obtained from earlier studies. The three-cell stack was successfully operated and tested for 750 hours at different temperatures and power densities. This laboratory testing coupled with characterization studies showed that small amounts of aluminum oxide were observed on the coating surface due to localized imperfections in the coating and a lack of protection in the uncoated areas, such as internal manifolds and mounting plates. However, the scanning electron microscopy (SEM) and the energy dispersive x-ray spectroscopy (EDX) showed that coating thickness, chemistry, and surface morphology remained consistent after 750 hours of operation.

High speed hydrogen/graphite interaction

NASA Technical Reports Server (NTRS)

Kelly, A. J.; Hamman, R.; Sharma, O. P.; Harrje, D. T.

1974-01-01

Various aspects of a research program on high speed hydrogen/graphite interaction are presented. Major areas discussed are: (1) theoretical predictions of hydrogen/graphite erosion rates; (2) high temperature, nonequilibrium hydrogen flow in a nozzle; and (3) molecular beam studies of hydrogen/graphite erosion.

RECOVERY OF VALUABLE MATERIAL FROM GRAPHITE BODIES

DOEpatents

Fromm, L.W. Jr.

1959-09-01

An electrolytic process for recovering uranium from a graphite fuel element is described. The uraniumcontaining graphite body is disposed as the anode of a cell containing a nitric acid electrolyte and a 5 amp/cm/sup 2/ current passed to induce a progressive disintegration of the graphite body. The dissolved uranium is quickly and easily separated from the resulting graphite particles by simple mechanical means, such as centrifugation, filtration, and decontamination.

Interface Character of Aluminum-Graphite Metal Matrix Composites.

DTIC Science & Technology

1983-01-27

studied included the commer- cial A/graphite composites; layered model systems on single crystal and poly- crystalline graphite substrates as well as...composition and thickness of the composite interface, and graphite crystal orientation. 3 For the model systems in this study , single crystal graphite...been reviewed by Kingcry. Segregation at surfaces in single- crystal MgO of Fe, Cr and Sc, which were Dresent in concentrations within the single- 3phase

Structure and Performance of Epoxy Resin Cladded Graphite Used as Anode

NASA Astrophysics Data System (ADS)

Zhou, Zhentao; Li, Haijun

This paper is concerning to prepare modified natural graphite which is low-cost and advanced materials used as lithium ion battery anode using the way of cladding natural graphite with epoxy resin. The results shows that the specific capacity and circular performance of the modified natural graphite, which is prepared in the range of 600°C and 1000°C, have been apparently improved compare with the not-modified natural graphite. The first reversible capacity of the modified natural graphite is 338mAh/g and maintain more than 330mAh/g after 20 charge/discharge circles.

Artificially-built solid electrolyte interphase via surface-bonded vinylene carbonate derivative on graphite by molecular layer deposition

NASA Astrophysics Data System (ADS)

Chae, Seulki; Lee, Jeong Beom; Lee, Jae Gil; Lee, Tae-jin; Soon, Jiyong; Ryu, Ji Heon; Lee, Jin Seok; Oh, Seung M.

2017-12-01

Vinylene carbonate (VC) is attached in a ring-opened form on a graphite surface by molecular layer deposition (MLD) method, and its role as a solid electrolyte interphase (SEI) former is studied. When VC is added into the electrolyte solution of a graphite/LiNi0.5Mn1.5O4 (LNMO) full-cell, it is reductively decomposed to form an effective SEI on the graphite electrode. However, VC in the electrolyte solution has serious adverse effects due to its poor stability against electrochemical oxidation on the LNMO positive electrode. A excessive acid generation as a result of VC oxidation is observed, causing metal dissolution from the LNMO electrode. The dissolved metal ions are plated on the graphite electrode to destroy the SEI layer, eventually causing serious capacity fading and poor Coulombic efficiency. The VC derivative on the graphite surface also forms an effective SEI layer on the graphite negative electrode via reductive decomposition. The detrimental effects on the LNMO positive electrode, however, can be avoided because the bonded VC derivative on the graphite surface cannot move to the LNMO electrode. Consequently, the graphite/LNMO full-cell fabricated with the VC-attached graphite outperforms the cells without VC or with VC in the electrolyte, in terms of Coulombic efficiency and capacity retention.

Micro-fabrication method of graphite mesa microdevices based on optical lithography technology

NASA Astrophysics Data System (ADS)

Zhang, Cheng; Wen, Donghui; Zhu, Huamin; Zhang, Xiaorui; Yang, Xing; Shi, Yunsheng; Zheng, Tianxiang

2017-12-01

Graphite mesa microdevices have incommensurate contact nanometer interfaces, superlubricity, high-speed self-retraction, and other characteristics, which have potential applications in high-performance oscillators and micro-scale switches, memory devices, and gyroscopes. However, the current method of fabricating graphite mesa microdevices is mainly based on high-cost, low efficiency electron beam lithography technology. In this paper, the processing technologies of graphite mesa microdevices with various shapes and sizes were investigated by a low-cost micro-fabrication method, which was mainly based on optical lithography technology. The characterization results showed that the optical lithography technology could realize a large-area of patterning on the graphite surface, and the graphite mesa microdevices, which have a regular shape, neat arrangement, and high verticality could be fabricated in large batches through optical lithography technology. The experiments and analyses showed that the graphite mesa microdevices fabricated through optical lithography technology basically have the same self-retracting characteristics as those fabricated through electron beam lithography technology, and the maximum size of the graphite mesa microdevices with self-retracting phenomenon can reach 10 µm  ×  10 µm. Therefore, the proposed method of this paper can realize the high-efficiency and low-cost processing of graphite mesa microdevices, which is significant for batch fabrication and application of graphite mesa microdevices.

Graphite tail powder and liquid biofertilizer as trace elements source for ground nut

NASA Astrophysics Data System (ADS)

Hindersah, Reginawanti; Setiawati, M. Rochimi; Fitriatin, B. Natalie; Suryatama, Pujawati; Asmiran, Priyanka; Panatarani, Camellia; Joni, I. Made

2018-02-01

Utilization of graphite tail waste from the mineral beneficiation processing is very important since it contain significant amount of essential minerals which are necessary for plant growth. These mineral are required in biochemical processes and mainly play an important role as cofactor in enzymatic reaction. The objective of this research is to investigate the performance of graphite tail on supporting plant growth and yield of ground nut (Arachishypogeae L.). A field experiment has been performed to test the performance of mixed graphite tail and reduced organic matter dose. The graphite tail size were reduced to various sieved size, -80 mesh, -100 mesh and -200 mesh. The experiment was setup in randomized block design with 4 treatments and 6 replications for each treatment, while the control plot is received without graphite tail. The results demonstrated that reduced organic matter along with -200 mesh tail has potentially decreased plant height at the end of vegetative growth stage, in contrast for to -80 mesh tail amendment increased individual fresh plant biomass. Statistically, there was no change of plant nodule, individual shoot fresh and dry weight, root nodule, number of pod following any mesh of graphite tail amendment. Reducing organic matter while adding graphite tail of 5% did not change bean weight in all plot. In contrast, reduced organic matter along with 80-mesh graphite tail amendment improved the nut yield per plot. This experiment suggests that graphite tail, mainly -80 mesh graphite tail can be possibly used in legume production.

40 CFR 436.380 - Applicability; description of the graphite subcategory.

Code of Federal Regulations, 2011 CFR

2011-07-01

... graphite subcategory. 436.380 Section 436.380 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS MINERAL MINING AND PROCESSING POINT SOURCE CATEGORY Graphite Subcategory § 436.380 Applicability; description of the graphite subcategory. The provisions of this subpart...

40 CFR 436.380 - Applicability; description of the graphite subcategory.

Code of Federal Regulations, 2010 CFR

2010-07-01

... graphite subcategory. 436.380 Section 436.380 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) EFFLUENT GUIDELINES AND STANDARDS MINERAL MINING AND PROCESSING POINT SOURCE CATEGORY Graphite Subcategory § 436.380 Applicability; description of the graphite subcategory. The provisions of this subpart...

Application of Artificial Intelligence For Euler Solutions Clustering

NASA Astrophysics Data System (ADS)

Mikhailov, V.; Galdeano, A.; Diament, M.; Gvishiani, A.; Agayan, S.; Bogoutdinov, Sh.; Graeva, E.; Sailhac, P.

Results of Euler deconvolution strongly depend on the selection of viable solutions. Synthetic calculations using multiple causative sources show that Euler solutions clus- ter in the vicinity of causative bodies even when they do not group densely about perimeter of the bodies. We have developed a clustering technique to serve as a tool for selecting appropriate solutions. The method RODIN, employed in this study, is based on artificial intelligence and was originally designed for problems of classification of large data sets. It is based on a geometrical approach to study object concentration in a finite metric space of any dimension. The method uses a formal definition of cluster and includes free parameters that facilitate the search for clusters of given proper- ties. Test on synthetic and real data showed that the clustering technique successfully outlines causative bodies more accurate than other methods of discriminating Euler solutions. In complicated field cases such as the magnetic field in the Gulf of Saint Malo region (Brittany, France), the method provides geologically insightful solutions. Other advantages of the clustering method application are: - Clusters provide solutions associated with particular bodies or parts of bodies permitting the analysis of different clusters of Euler solutions separately. This may allow computation of average param- eters for individual causative bodies. - Those measurements of the anomalous field that yield clusters also form dense clusters themselves. The application of cluster- ing technique thus outlines areas where the influence of different causative sources is more prominent. This allows one to focus on areas for reinterpretation, using different window sizes, structural indices and so on.

Temperature effect of friction and wear characteristics for solid lubricating graphite

NASA Astrophysics Data System (ADS)

Kim, Yeonwook; Kim, Jaehoon

2015-03-01

Graphite is one of the effective lubricant additives due to its excellent high-temperature endurance and self-lubricating properties. In this study, wear behavior of graphite used as sealing materials to cut off hot gas is evaluated at room and elevated temperature. Wear occurs on graphite seal due to the friction of driving shaft and graphite. Thus, a reciprocating wear test to evaluate the wear generated for the graphite by means of the relative motion between a shaft material and a graphite seal was carried out. The friction coefficient and specific wear rate for the changes of applied load and sliding speed were compared under different temperature conditions considering the actual operating environment. Through SEM observation of the worn surface, the lubricating film was observed and compared with test conditions.