Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material.

PubMed

Zhao, Xin; Wang, Cai-Zhuang; Kim, Minsung; Ho, Kai-Ming

2017-12-04

Fe-cluster-based crystal structures are predicted for chalcogenides Fe 3 X 4 (X = S, Se, Te) using an adaptive genetic algorithm. Topologically different from the well-studied layered structures of iron chalcogenides, the newly predicted structures consist of Fe clusters that are either separated by the chalcogen atoms or connected via sharing of the vertex Fe atoms. Using first-principles calculations, we demonstrate that these structures have competitive or even lower formation energies than the experimentally synthesized Fe 3 X 4 compounds and exhibit interesting magnetic and electronic properties. In particular, we show that Fe 3 Te 4 can be a good candidate as a rare-earth-free permanent magnet and Fe 3 S 4 can be a magnetic nodal-line topological material.

Material Properties Analysis of Structural Members in Pumpkin Balloons

NASA Technical Reports Server (NTRS)

Sterling, W. J.

2003-01-01

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

Arc Jet Screening Tests Of Phase 1 Orbiter Tile Repair Materials and Uncoated RSI High Temperature Emittance Measurements

NASA Technical Reports Server (NTRS)

DelPapa, Steven V.

2005-01-01

Arc jet tests of candidate tile repair materials and baseline Orbiter uncoated reusable surface insulation (RSI) were performed in the Johnson Space Center's (JSC) Atmospheric Reentry Materials and Structures Evaluation Facility (ARMSEF) from June 23, 2003, through August 19, 2003. These tests were performed to screen candidate tile repair materials by verifying the high temperature performance and determining the thermal stability. In addition, tests to determine the surface emissivity at high temperatures and the geometric shrinkage of bare RSI were performed. In addition, tests were performed to determine the surface emissivity at high temperatures and the geometric shrinkage of uncoated RSI.

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials.

PubMed

Ashton, Michael; Paul, Joshua; Sinnott, Susan B; Hennig, Richard G

2017-03-10

The Materials Project crystal structure database has been searched for materials possessing layered motifs in their crystal structures using a topology-scaling algorithm. The algorithm identifies and measures the sizes of bonded atomic clusters in a structure's unit cell, and determines their scaling with cell size. The search yielded 826 stable layered materials that are considered as candidates for the formation of two-dimensional monolayers via exfoliation. Density-functional theory was used to calculate the exfoliation energy of each material and 680 monolayers emerge with exfoliation energies below those of already-existent two-dimensional materials. The crystal structures of these two-dimensional materials provide templates for future theoretical searches of stable two-dimensional materials. The optimized structures and other calculated data for all 826 monolayers are provided at our database (https://materialsweb.org).

Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics

DOE PAGES

Isaacs, Eric B.; Wolverton, Chris

2018-02-26

Electronic band structure contains a wealth of information on the electronic properties of a solid and is routinely computed. However, the more difficult problem of designing a solid with a desired band structure is an outstanding challenge. In order to address this inverse band structure design problem, we devise an approach using materials database screening with materials attributes based on the constituent elements, nominal electron count, crystal structure, and thermodynamics. Our strategy is tested in the context of thermoelectric materials, for which a targeted band structure containing both flat and dispersive components with respect to crystal momentum is highly desirable.more » We screen for thermodynamically stable or metastable compounds containing d 8 transition metals coordinated by anions in a square planar geometry in order to mimic the properties of recently identified oxide thermoelectrics with such a band structure. In doing so, we identify 157 compounds out of a total of over half a million candidates. After further screening based on electronic band gap and structural anisotropy, we explicitly compute the band structures for the several of the candidates in order to validate the approach. We successfully find two new oxide systems that achieve the targeted band structure. Electronic transport calculations on these two compounds, Ba 2PdO 3 and La 4PdO 7, confirm promising thermoelectric power factor behavior for the compounds. This methodology is easily adapted to other targeted band structures and should be widely applicable to a variety of design problems.« less

Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics

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

Isaacs, Eric B.; Wolverton, Chris

Electronic band structure contains a wealth of information on the electronic properties of a solid and is routinely computed. However, the more difficult problem of designing a solid with a desired band structure is an outstanding challenge. In order to address this inverse band structure design problem, we devise an approach using materials database screening with materials attributes based on the constituent elements, nominal electron count, crystal structure, and thermodynamics. Our strategy is tested in the context of thermoelectric materials, for which a targeted band structure containing both flat and dispersive components with respect to crystal momentum is highly desirable.more » We screen for thermodynamically stable or metastable compounds containing d 8 transition metals coordinated by anions in a square planar geometry in order to mimic the properties of recently identified oxide thermoelectrics with such a band structure. In doing so, we identify 157 compounds out of a total of over half a million candidates. After further screening based on electronic band gap and structural anisotropy, we explicitly compute the band structures for the several of the candidates in order to validate the approach. We successfully find two new oxide systems that achieve the targeted band structure. Electronic transport calculations on these two compounds, Ba 2PdO 3 and La 4PdO 7, confirm promising thermoelectric power factor behavior for the compounds. This methodology is easily adapted to other targeted band structures and should be widely applicable to a variety of design problems.« less

A Review on the Potential Use of Austenitic Stainless Steels in Nuclear Fusion Reactors

NASA Astrophysics Data System (ADS)

Şahin, Sümer; Übeyli, Mustafa

2008-12-01

Various engineering materials; austenitic stainless steels, ferritic/martensitic steels, vanadium alloys, refractory metals and composites have been suggested as candidate structural materials for nuclear fusion reactors. Among these structural materials, austenitic steels have an advantage of extensive technological database and lower cost compared to other non-ferrous candidates. Furthermore, they have also advantages of very good mechanical properties and fission operation experience. Moreover, modified austenitic stainless (Ni and Mo free) have relatively low residual radioactivity. Nevertheless, they can't withstand high neutron wall load which is required to get high power density in fusion reactors. On the other hand, a protective flowing liquid wall between plasma and solid first wall in these reactors can eliminate this restriction. This study presents an overview of austenitic stainless steels considered to be used in fusion reactors.

Foreign Trip Report MATGEN-IV Sep 24- Oct 26, 2007

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

de Caro, M S

2007-10-30

Gen-IV activities in France, Japan and US focus on the development of new structural materials for Gen-IV nuclear reactors. Oxide dispersion strengthened (ODS) F/M steels have raised considerable interest in nuclear applications. Promising collaborations can be established seeking fundamental knowledge of relevant Gen-IV ODS steel properties (see attached travel report on MATGEN- IV 'Materials for Generation IV Nuclear Reactors'). Major highlights refer to results on future Ferritic/Martensitic steel cladding candidates (relevant to Gen-IV materials properties for LFR Materials Program) and on thermodynamic and mechanic behavior of metallic FeCr binary alloys, base matrix for future candidate steels (for the LLNL-LDRD projectmore » on Critical Issues on Materials for Gen-IV Reactors).« less

Structural Composite Construction Materials Manufactured from Municipal Solid Waste

DTIC Science & Technology

1994-04-20

in Table 1. Candidate matrix materials included polystyrene (PS) or expanded polystyrene (EPS), high density polyethylene (HDPE), and polyethylene...companies make a variety of expanded polystyrene insulation panels that arc used in insulation and roofing systems.46 Thermoplastics are seeing

Coaxial test fixture

DOEpatents

Praeg, W.F.

1984-03-30

This invention pertains to arrangements for performing electrical tests on contact material samples, and in particular for testing contact material test samples in an evacuated environment under high current loads. Frequently, it is desirable in developing high-current separable contact material, to have at least a preliminary analysis of selected candidate conductor materials. Testing of material samples will hopefully identify materials unsuitable for high current electrical contact without requiring incorporation of the materials into a completed and oftentimes complex structure.

A K-BKZ Formulation for Soft-Tissue Viscoelasticity

NASA Technical Reports Server (NTRS)

Freed, Alan D.; Diethelm, Kai

2005-01-01

A viscoelastic model of the K-BKZ (Kaye 1962; Bernstein et al. 1963) type is developed for isotropic biological tissues, and applied to the fat pad of the human heel. To facilitate this pursuit, a class of elastic solids is introduced through a novel strain-energy function whose elements possess strong ellipticity, and therefore lead to stable material models. The standard fractional-order viscoelastic (FOV) solid is used to arrive at the overall elastic/viscoelastic structure of the model, while the elastic potential via the K-BKZ hypothesis is used to arrive at the tensorial structure of the model. Candidate sets of functions are proposed for the elastic and viscoelastic material functions present in the model, including a regularized fractional derivative that was determined to be the best. The Akaike information criterion (AIC) is advocated for performing multi-model inference, enabling an objective selection of the best material function from within a candidate set.

Triboluminescent Materials for Smart Optical Damage Sensors for Space Applications

NASA Technical Reports Server (NTRS)

Aggarwal, Mohan D.; Penn, Benjamin G.; Miller, Jim

2007-01-01

Triboluminescence is light that is produced by pressure, friction or mechanical shock. New composite materials are constantly being reengi neered in an effort to make lightweight spacecrafts for various NASA missions. For these materials there is interest in monitoring the con dition of the composite in real time to detect any delamination or cr acking due to damage, fatigue or external forces. Methods of periodic inspection of composite structures for mechanical damage such as ult rasonic testing are rather mature. However, there is a need to develop a new technique of damage detection for composites, which could dete ct cracking or delamination from any desired location within a materi al structure in real time. This could provide a valuable tool in the confident use of composite materials for various space applications. Recently, triboluminnescent materials have been proposed as smart sen sors of structural damage. To sense the damage, these materials can b e epoxy bonded or coated in a polymer matrix or embedded in a composi te host structure. When the damage or fracture takes place in the hos t structure, it will lead to the fracture of triboluminescent crystal s resulting in a light emission. This will warn, in real time, that a structural damage has occurred. The triboluminescent emission of the candidate phosphor has to be sufficiently bright, so that the light signal reaching from the point of fracture to the detector through a fiber optic cable is sufficiently strong to be detected. There are a large number of triboluminescent materials, but few satisfy the above criterion. Authors have synthesized a Eu based organic material know n as Europium tetrakis (dibenzoylmethide) triethylammonium .(EuD(sub 4)TEA), one of the bright triboluminescent materials, which is a pote ntial candidate for application as a damage sensor and could be made into a wireless sensor with the addition of microchip, antenna and el ectronics. Preliminary results on the synthesis and characterization of this material shall be presented.

An Automated Ab Initio Framework for Identifying New Ferroelectrics

NASA Astrophysics Data System (ADS)

Smidt, Tess; Reyes-Lillo, Sebastian E.; Jain, Anubhav; Neaton, Jeffrey B.

Ferroelectric materials have a wide-range of technological applications including non-volatile RAM and optoelectronics. In this work, we present an automated first-principles search for ferroelectrics. We integrate density functional theory, crystal structure databases, symmetry tools, workflow software, and a custom analysis toolkit to build a library of known and proposed ferroelectrics. We screen thousands of candidates using symmetry relations between nonpolar and polar structure pairs. We use two search strategies 1) polar-nonpolar pairs with the same composition and 2) polar-nonpolar structure type pairs. Results are automatically parsed, stored in a database, and accessible via a web interface showing distortion animations and plots of polarization and total energy as a function of distortion. We benchmark our results against experimental data, present new ferroelectric candidates found through our search, and discuss future work on expanding this search methodology to other material classes such as anti-ferroelectrics and multiferroics.

Vacuum ultraviolet radiation and thermal cycling effects on atomic oxygen protective photovoltaic array blanket materials

NASA Technical Reports Server (NTRS)

Brady, J.; Banks, B.

1990-01-01

The importance of synergistic environmental exposure is demonstrated through the evaluation of DuPont 93-1 in simulated LEO environment. Changes in optical properties, surface condition, and mass loss data are described. The qualitative results indicate the necessity for exposure of materials to a series of simulated LEO environments in order to properly determine synergistic effects and demonstrate the overall LEO durability of candidate materials. It is shown that synergistic effects may occur with vacuum thermal cycling combined with VUV radiation followed by atomic oxygen exposure. Testing the durability of candidate solar array blanket materials in a test sequence with necessary synergistic effects makes it possible to determine the appropriate material for providing structural support and maintaining the proper operating temperature for solar cells in the SSF Photovaltaic Power System.

Electronic structure properties of deep defects in hBN

NASA Astrophysics Data System (ADS)

Dev, Pratibha; Prdm Collaboration

In recent years, the search for room-temperature solid-state qubit (quantum bit) candidates has revived interest in the study of deep-defect centers in semiconductors. The charged NV-center in diamond is the best known amongst these defects. However, as a host material, diamond poses several challenges and so, increasingly, there is an interest in exploring deep defects in alternative semiconductors such as hBN. The layered structure of hBN makes it a scalable platform for quantum applications, as there is a greater potential for controlling the location of the deep defect in the 2D-matrix through careful experiments. Using density functional theory-based methods, we have studied the electronic and structural properties of several deep defects in hBN. Native defects within hBN layers are shown to have high spin ground states that should survive even at room temperature, making them interesting solid-state qubit candidates in a 2D matrix. Partnership for Reduced Dimensional Material (PRDM) is part of the NSF sponsored Partnerships for Research and Education in Materials (PREM).

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

Xu, Gui -Liang; Sheng, Tian; Chong, Lina

Sodium-ion batteries (SIBs) have been considered as one of the promising power source candidates for the stationary storage industries owing to the much lower cost of sodium than lithium. It is well-known that the electrode materials largely determine the energy density of the battery systems. However, recent discoveries on the electrode materials showed that most of them present distinct lithium and sodium storage performance, which is not yet well understood. In this work, we performed a comparative understanding on the structural changes of porous cobalt oxide during its electrochemical lithiation and sodiation process by in operando synchrotron small angel X-raymore » scattering, X-ray diffraction, and X-ray absorption spectroscopy. It was found that compared to the lithiation process, the porous cobalt oxide undergoes less pore structure changes, oxidation state, and local structure changes as well as crystal structure evolution during its sodiation process, which is attributed to the intrinsic low sodiation activity of cobalt oxide as evidenced by ab initio molecular dynamics simulations. Moreover, it was indicated that the sodiation activity of metal sulfides is higher than that of metal oxides, indicating a better candidate for SIBs. Furthermore, such understanding is crucial for future design and improvement of high-performance electrode materials for SIBs.« less

Ballistic Puncture Self-Healing Polymeric Materials

NASA Technical Reports Server (NTRS)

Gordon, Keith L.; Siochi, Emilie J.; Yost, William T.; Bogert, Phil B.; Howell, Patricia A.; Cramer, K. Elliott; Burke, Eric R.

2017-01-01

Space exploration launch costs on the order of $10,000 per pound provide an incentive to seek ways to reduce structural mass while maintaining structural function to assure safety and reliability. Damage-tolerant structural systems provide a route to avoiding weight penalty while enhancing vehicle safety and reliability. Self-healing polymers capable of spontaneous puncture repair show promise to mitigate potentially catastrophic damage from events such as micrometeoroid penetration. Effective self-repair requires these materials to quickly heal following projectile penetration while retaining some structural function during the healing processes. Although there are materials known to possess this capability, they are typically not considered for structural applications. Current efforts use inexpensive experimental methods to inflict damage, after which analytical procedures are identified to verify that function is restored. Two candidate self-healing polymer materials for structural engineering systems are used to test these experimental methods.

Fabrication of Nanovoid-Imbedded Bismuth Telluride with Low Dimensional System

NASA Technical Reports Server (NTRS)

Chu, Sang-Hyon (Inventor); Choi, Sang H. (Inventor); Kim, Jae-Woo (Inventor); Park, Yeonjoon (Inventor); Elliott, James R. (Inventor); King, Glen C. (Inventor); Stoakley, Diane M. (Inventor)

2013-01-01

A new fabrication method for nanovoids-imbedded bismuth telluride (Bi--Te) material with low dimensional (quantum-dots, quantum-wires, or quantum-wells) structure was conceived during the development of advanced thermoelectric (TE) materials. Bismuth telluride is currently the best-known candidate material for solid-state TE cooling devices because it possesses the highest TE figure of merit at room temperature. The innovative process described here allows nanometer-scale voids to be incorporated in Bi--Te material. The final nanovoid structure such as void size, size distribution, void location, etc. can be also controlled under various process conditions.

NASA Office of Aeronautical and Space Technology Summer Workshop. Volume 7: Materials panel

NASA Technical Reports Server (NTRS)

1975-01-01

Materials technology requirements pertinent to structures, power, and propulsion for future space missions are identified along with candidate space flight experiments. Most requirements are mission driven, only four (all relating to space processing of materials) are considered to be opportunity driven. Exploitation of the space environment in performing basic research to improve the understanding of materials phenomena (such as solidification) and manufacturing and assembly in space to support missions such as solar energy stations which require the forming, erection, joining, and repair of structures in space are among the topics discussed.

Mo(3)Sb(7-x)Te(x) for Thermoelectric Power Generation

NASA Technical Reports Server (NTRS)

Snyder, G. Jeffrey; Gascoin, Frank S.; Rasmussen, Julia

2009-01-01

Compounds having compositions of Mo(3)Sb(7-x)Te(x) (where x = 1.5 or 1.6) have been investigated as candidate thermoelectric materials. These compounds are members of a class of semiconductors that includes previously known thermoelectric materials. All of these compounds have complex crystalline and electronic structures. Through selection of chemical compositions and processing conditions, it may be possible to alter the structures to enhance or optimize thermoelectric properties.

Abrasion of Candidate Spacesuit Fabrics by Simulated Lunar Dust

NASA Technical Reports Server (NTRS)

Gaier, James R.; Meador, Mary Ann; Rogers, Kerry J.; Sheehy, Brennan H.

2009-01-01

A protocol has been developed that produced the type of lunar soil abrasion damage observed on Apollo spacesuits. This protocol was then applied to four materials (Kevlar (DuPont), Vectran (Kuraray Co., Ltd.), Orthofabric, and Tyvek (DuPont)) that are candidates for advanced spacesuits. Three of the four new candidate fabrics (all but Vectran) were effective at keeping the dust from penetrating to layers beneath. In the cases of Kevlar and Orthofabric this was accomplished by the addition of a silicone layer. In the case of Tyvek, the paper structure was dense enough to block dust transport. The least abrasive damage was suffered by the Tyvek. This was thought to be due in large part to its non-woven paper structure. The woven structures were all abraded where the top of the weave was struck by the abrasive. Of these, the Orthofabric suffered the least wear, with both Vectran and Kevlar suffering considerably more extensive filament breakage.

Modeling of Lamb Waves and Application to Crack Identification

DTIC Science & Technology

2009-09-01

and Structures, vol. 13, pp. 621–630, 2004. [13] Seth S Kessler , S. Mark Spearing, and Constantinos Soutis, “Damage detection in composite materials...growth in metallic structures. Kessler et al. [13] presented part of an experimental and analytical survey of candidate methods for in-situ damage

OsB 2 and RuB 2, ultra-incompressible, hard materials: First-principles electronic structure calculations

NASA Astrophysics Data System (ADS)

Chiodo, S.; Gotsis, H. J.; Russo, N.; Sicilia, E.

2006-07-01

Recently it has been reported that osmium diboride has an unusually large bulk modulus combined with high hardness, and consequently is a most interesting candidate as an ultra-incompressible and hard material. The electronic and structural properties of the transition metal diborides OsB 2 and RuB 2 have been calculated within the local density approximation (LDA). It is shown that the high hardness is the result of covalent bonding between transition metal d states and boron p states in the orthorhombic structure.

Phenylethynyl reactive diluents

NASA Technical Reports Server (NTRS)

Bryant, Robert G. (Inventor); Jensen, Brian J. (Inventor); Hergenrother, Paul M. (Inventor)

1995-01-01

A composition of matter having a specified general structure is employed to terminate a nucleophilic reagent, resulting in the exclusive production of phenylethynyl terminated reactive oligomers which display unique thermal characteristics. A reactive diluent having a specified general structure is employed to decrease the melt viscosity of a phenylethynyl terminated reactive oligomer and to subsequently react with to provide a thermosetting material of enhanced density. These materials have features which make them attractive candidates for use as composite matrices and adhesives.

Hypervelocity impact testing of advanced materials and structures for micrometeoroid and orbital debris shielding

NASA Astrophysics Data System (ADS)

Ryan, Shannon; Christiansen, Eric L.

2013-02-01

A series of 66 hypervelocity impact experiments have been performed to assess the potential of various materials (aluminium, titanium, copper, stainless steel, nickel, nickel/chromium, reticulated vitreous carbon, silver, ceramic, aramid, ceramic glass, and carbon fibre) and structures (monolithic plates, open-cell foam, flexible fabrics, rigid meshes) for micrometeoroid and orbital debris (MMOD) shielding. Arranged in various single-, double-, and triple-bumper configurations, screening tests were performed with 0.3175 cm diameter Al2017-T4 spherical projectiles at nominally 6.8 km/s and normal incidence. The top performing shields were identified through target damage assessments and their respective weight. The top performing candidate shield at the screening test condition was found to be a double-bumper configuration with a 0.25 mm thick Al3003 outer bumper, 6.35 mm thick 40 PPI aluminium foam inner bumper, and 1.016 mm thick Al2024-T3 rear wall (equal spacing between bumpers and rear wall). In general, double-bumper candidates with aluminium plate outer bumpers and foam inner bumpers were consistently found to be amongst the top performers. For this impact condition, potential weight savings of at least 47% over conventional all-aluminium Whipple shields are possible by utilizing the investigated materials and structures. The results of this study identify materials and structures of interest for further, more in-depth, impact investigations.

Structural modeling for multicell composite rotor blades

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.; Atilgan, Ali R.

1987-01-01

Composite material systems are currently good candidates for aerospace structures, primarily for the design flexibility they offer, i.e., it is possible to tailor the material and manufacturing approach to the application. A working definition of elastic or structural tailoring is the use of structural concept, fiber orientation, ply stacking sequence, and a blend of materials to achieve specific performance goals. In the design process, choices of materials and dimensions are made which produce specific response characteristics, and which permit the selected goals to be achieved. Common choices for tailoring goals are preventing instabilities or vibration resonances or enhancing damage tolerance. An essential, enabling factor in the design of tailored composite structures is structural modeling that accurately, but simply, characterizes response. The objective of this paper is to present a new multicell beam model for composite rotor blades and to validate predictions based on the new model by comparison with a finite element simulation in three benchmark static load cases.

3D polypyrrole structures as a sensing material for glucose detection

NASA Astrophysics Data System (ADS)

Cysewska, Karolina; Szymańska, Magdalena; Jasiński, Piotr

2016-11-01

In this work, 3D polypyrrole (PPy) structures as material for glucose detection is proposed. Polypyrrole was electrochemically polymerized on platinum screen-printed electrode from an aqueous solution of lithium perchlorate and pyrrole. The growth mechanism of such PPy structures was studied by ex-situ scanning electron microscopy. Preliminary studies show that studied here PPy film is a good candidate as a sensing material for glucose biosensor. It exhibits very high sensitivity (28.5 mA·mM-1·cm-2) and can work without any additional dopants, mediators or enzymes. It was also shown that glucose detection depends on the PPy morphology. The same PPy material was immobilized with the glucose oxidase enzyme. Such material exhibited higher signal response, however it lost its stability very fast.

Computational Search for Strong Topological Insulators: An Exercise in Data Mining and Electronic Structure

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

Klintenberg, M.; Haraldsen, Jason T.; Balatsky, Alexander V.

In this paper, we report a data-mining investigation for the search of topological insulators by examining individual electronic structures for over 60,000 materials. Using a data-mining algorithm, we survey changes in band inversion with and without spin-orbit coupling by screening the calculated electronic band structure for a small gap and a change concavity at high-symmetry points. Overall, we were able to identify a number of topological candidates with varying structures and composition. Lastly, our overall goal is expand the realm of predictive theory into the determination of new and exotic complex materials through the data mining of electronic structure.

Computational Search for Strong Topological Insulators: An Exercise in Data Mining and Electronic Structure

DOE PAGES

Klintenberg, M.; Haraldsen, Jason T.; Balatsky, Alexander V.

2014-06-19

In this paper, we report a data-mining investigation for the search of topological insulators by examining individual electronic structures for over 60,000 materials. Using a data-mining algorithm, we survey changes in band inversion with and without spin-orbit coupling by screening the calculated electronic band structure for a small gap and a change concavity at high-symmetry points. Overall, we were able to identify a number of topological candidates with varying structures and composition. Lastly, our overall goal is expand the realm of predictive theory into the determination of new and exotic complex materials through the data mining of electronic structure.

Engineering aspects of the application of structural materials in the 5 MW-ESS-mercury-target

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

Guttek, B.

1996-06-01

A main problem of the ESS-Hg-target development and the design of the components of its primary Hg-circuit is the choice of structural materials. As designing, calculations and experiments with elected materials take time and are very costy, a preview on their successful application has to be done before as detailed as possible. One aspect on this is to have the knowledge of characteristics values of the structural material candidates under the occuring mechanical and thermal loads, irradiation, corrosion and erosion. Another point is the technology of engineering concerning the manufacturing, welding, surface treatment, and quality control of such parts andmore » components under the demand to reach maximum lifetime.« less

Novel polyelectrolyte complex based carbon nanotube composite architectures

NASA Astrophysics Data System (ADS)

Razdan, Sandeep

This study focuses on creating novel architectures of carbon nanotubes using polyelectrolytes. Polyelectrolytes are unique polymers possessing resident charges on the macromolecular chains. This property, along with their biocompatibility (true for most polymers used in this study) makes them ideal candidates for a variety of applications such as membranes, drug delivery systems, scaffold materials etc. Carbon nanotubes are also unique one-dimensional nanoscale materials that possess excellent electrical, mechanical and thermal properties owing to their small size, high aspect ratio, graphitic structure and strength arising from purely covalent bonds in the molecular structure. The present study tries to investigate the synthesis processes and material properties of carbon nanotube composites comprising of polyelectrolyte complexes. Carbon nanotubes are dispersed in a polyelectrolyte and are induced into taking part in a complexation process with two oppositely charged polyelectrolytes. The resulting stoichiometric precipitate is then drawn into fiber form and dried as such. The material properties of the carbon nanotube fibers were characterized and related to synthesis parameters and material interactions. Also, an effort was made to understand and predict fiber morphology resulting from the complexation and drawing process. The study helps to delineate the synthesis and properties of the said polyelectrolyte complex-carbon nanotube architectures and highlights useful properties, such as electrical conductivity and mechanical strength, which could make these structures promising candidates for a variety of applications.

Evaluation and Selection of Replacement Thermal Control Materials for the Hubble Space Telescope

NASA Technical Reports Server (NTRS)

Townsend, Jacqueline A.; Hansen, Patricia A.; McClendon, Mark W.; Dever, Joyce A.; Triolo, Jack J.

1998-01-01

The mechanical and optical properties of the metallized Teflon(Registered Trademark) FEP thermal control materials on the Hubble Space Telescope (HST) have degraded over the nearly seven years the telescope has been in orbit. Given the damage to the outer layer of the multi-layer insulation (MLI) that was apparent during the second servicing mission (SM2), the decision was made to replace the outer layer during subsequent servicing missions. A Failure Review Board was established to investigate the damage to the MLI and identify a replacement material. The replacement material had to meet the stringent thermal requirements of the spacecraft and maintain structural integrity for at least ten years. Ten candidate materials were selected and exposed to ten-year HST-equivalent doses of simulated orbital environments. Samples of the candidates were exposed sequentially to low and high energy electrons and protons, atomic oxygen, x-ray radiation, ultraviolet radiation and thermal cycling. Following the exposures, the mechanical integrity and optical properties of the candidates were investigated using Optical Microscopy, Scanning Electron Microscopy (SEM), and a Laboratory Portable Spectroreflectometer (LPSR). Based on the results of these simulations and analyses, the FRB selected a replacement material and two alternates that showed the highest likelihood of providing the requisite thermal properties and surviving for ten years in orbit.q

Determination of Interlaminar Toughness of IM7/977-2 Composites at Temperature Extremes and Different Thicknesses

NASA Technical Reports Server (NTRS)

Johnson, W. S.; Pavlick, M. M.; Oliver, M. S.

2005-01-01

Composite materials are being used in the aerospace industry as a means of reducing vehicle weight. In particular, polymer matrix composites (PMC) are good candidates due to their high strength-to-weight and high stiffness-to-weight ratios. Future reusable space launch vehicles and space exploration structures will need advanced light weight composites in order to minimize vehicle weight while demonstrating robustness and durability, guaranteeing high factors of safety. In particular, the implementation of composite cryogenic propellant fuel tanks (cryotanks) for future reusable launch vehicles (RLVs) could greatly reduce the vehicle's weight versus identically sized cryotanks constructed of metallic materials. One candidate composite material for future cryotank designs is IM7/977-2, which is a graphite/epoxy system. A successful candidate must demonstrate reasonable structural properties over a wide range of temperatures. Since the matrix material is normally the weak link in the composite, tests that emphasize matrix-dominated behavior need to be conducted. Therefore, the objective of this work is to determine the mode I interlaminar fracture toughness of "unidirectional" 8-ply and 16-ply IM7/977-2 through experimental testing. Tests were performed at -196 degrees Celsius (-320 degrees Fahrenheit), 22 degrees Celsius (72 degrees Fahrenheit), 93 degrees Celsius (200 degrees Fahrenheit) and 160 degrees C (320 degrees Fahrenheit). Low temperature testing was completed while the specimen was submerged in a liquid nitrogen bath. High temperature testing was completed in a temperature-controlled oven.

Insights into the Distinct Lithiation/Sodiation of Porous Cobalt Oxide by in Operando Synchrotron X-ray Techniques and Ab Initio Molecular Dynamics Simulations.

PubMed

Xu, Gui-Liang; Sheng, Tian; Chong, Lina; Ma, Tianyuan; Sun, Cheng-Jun; Zuo, Xiaobing; Liu, Di-Jia; Ren, Yang; Zhang, Xiaoyi; Liu, Yuzi; Heald, Steve M; Sun, Shi-Gang; Chen, Zonghai; Amine, Khalil

2017-02-08

Sodium-ion batteries (SIBs) have been considered as one of the promising power source candidates for the stationary storage industries owing to the much lower cost of sodium than lithium. It is well-known that the electrode materials largely determine the energy density of the battery systems. However, recent discoveries on the electrode materials showed that most of them present distinct lithium and sodium storage performance, which is not yet well understood. In this work, we performed a comparative understanding on the structural changes of porous cobalt oxide during its electrochemical lithiation and sodiation process by in operando synchrotron small angel X-ray scattering, X-ray diffraction, and X-ray absorption spectroscopy. It was found that compared to the lithiation process, the porous cobalt oxide undergoes less pore structure changes, oxidation state, and local structure changes as well as crystal structure evolution during its sodiation process, which is attributed to the intrinsic low sodiation activity of cobalt oxide as evidenced by ab initio molecular dynamics simulations. Moreover, it was indicated that the sodiation activity of metal sulfides is higher than that of metal oxides, indicating a better candidate for SIBs. Such understanding is crucial for future design and improvement of high-performance electrode materials for SIBs.

One-Pot Synthesis of Lithium-Rich Cathode Material with Hierarchical Morphology.

PubMed

Luo, Kun; Roberts, Matthew R; Hao, Rong; Guerrini, Niccoló; Liberti, Emanuela; Allen, Christopher S; Kirkland, Angus I; Bruce, Peter G

2016-12-14

Lithium-rich transition metal oxides, Li 1+x TM 1-x O 2 (TM, transition metal), have attracted much attention as potential candidate cathode materials for next generation lithium ion batteries because their high theoretical capacity. Here we present the synthesis of Li[Li 0.2 Ni 0.2 Mn 0.6 ]O 2 using a facile one-pot resorcinol-formaldehyde method. Structural characterization indicates that the material adopts a hierarchical porous morphology consisting of uniformly distributed small pores and disordered large pore structures. The material exhibits excellent electrochemical cycling stability and a good retention of capacity at high rates. The material has been shown to be both advantageous in terms of gravimetric and volumetric capacities over state of the art commercial cathode materials.

Fusion materials: Technical evaluation of the technology of vandium alloys for use as blanket structural materials in fusion power systems

NASA Astrophysics Data System (ADS)

1993-08-01

The Committee's evaluation of vanadium alloys as a structural material for fusion reactors was constrained by limited data and time. The design of the International Thermonuclear Experimental Reactor is still in the concept stage, so meaningful design requirements were not available. The data on the effect of environment and irradiation on vanadium alloys were sparse, and interpolation of these data were made to select the V-5Cr-5Ti alloy. With an aggressive, fully funded program it is possible to qualify a vanadium alloy as the principal structural material for the ITER blanket in the available 5 to 8-year window. However, the data base for V-5Cr-5Ti is limited and will require an extensive development and test program. Because of the chemical reactivity of vanadium the alloy will be less tolerant of system failures, accidents, and off-normal events than most other candidate blanket structural materials and will require more careful handling during fabrication of hardware. Because of the cost of the material more stringent requirements on processes, and minimal historical working experience, it will cost an order of magnitude to qualify a vanadium alloy for ITER blanket structures than other candidate materials. The use of vanadium is difficult and uncertain; therefore, other options should be explored more thoroughly before a final selection of vanadium is confirmed. The Committee views the risk as being too high to rely solely on vanadium alloys. In viewing the state and nature of the design of the ITER blanket as presented to the Committee, it is obvious that there is a need to move toward integrating fabrication, welding, and materials engineers into the ITER design team. If the vanadium alloy option is to be pursued, a large program needs to be started immediately. The commitment of funding and other resources needs to be firm and consistent with a realistic program plan.

PEN as self-vetoing structural material

NASA Astrophysics Data System (ADS)

Majorovits, B.; Eck, S.; Fischer, F.; Gooch, C.; Hayward, C.; Kraetzschmar, T.; van der Kolk, N.; Muenstermann, D.; Schulz, O.; Simon, F.

2018-01-01

Polyethylene Naphtalate (PEN) is a mechanically very favorable polymer. Earlier it was found that thin foils made from PEN can have very high radio-purity compared to other commercially available foils. In fact, PEN is already in use for low background signal transmission applications (cables). Recently it has been realized that PEN also has favorable scintillating properties. In combination, this makes PEN a very promising candidate as a self-vetoing structural material in low background experiments. Components instrumented with light detectors could be built from PEN. This includes detector holders, detector containments, signal transmission links, etc. The current R&D towards qualification of PEN as a self-vetoing low background structural material is be presented.

Computational predictions of zinc oxide hollow structures

NASA Astrophysics Data System (ADS)

Tuoc, Vu Ngoc; Huan, Tran Doan; Thao, Nguyen Thi

2018-03-01

Nanoporous materials are emerging as potential candidates for a wide range of technological applications in environment, electronic, and optoelectronics, to name just a few. Within this active research area, experimental works are predominant while theoretical/computational prediction and study of these materials face some intrinsic challenges, one of them is how to predict porous structures. We propose a computationally and technically feasible approach for predicting zinc oxide structures with hollows at the nano scale. The designed zinc oxide hollow structures are studied with computations using the density functional tight binding and conventional density functional theory methods, revealing a variety of promising mechanical and electronic properties, which can potentially find future realistic applications.

Effects of thermal cycling on composite materials for space structures

NASA Technical Reports Server (NTRS)

Tompkins, Stephen S.

1989-01-01

The effects of thermal cycling on the thermal and mechanical properties of composite materials that are candidates for space structures are briefly described. The results from a thermal analysis of the orbiting Space Station Freedom is used to define a typical thermal environment and the parameters that cause changes in the thermal history. The interactions of this environment with composite materials are shown and described. The effects of this interaction on the integrity as well as the properties of GR/thermoset, Gr/thermoplastic, Gr/metal and Gr/glass composite materials are discussed. Emphasis is placed on the effects of the interaction that are critical to precision spacecraft. Finally, ground test methodology are briefly discussed.

Thin Film Ceramic Strain Sensor Development for Harsh Environments: Interim Report on Identification of Candidate Thin Film Ceramics to Test for Viability for Static Strain Sensor Development

NASA Technical Reports Server (NTRS)

Wrbanek, John D.; Fralick, Gustave C.; Hunter, Gary W.

2006-01-01

The need to consider ceramic sensing elements is brought about by the temperature limits of metal thin film sensors in propulsion system applications. In order to have a more passive method of negating changes of resistance due to temperature, an effort is underway at NASA Glenn to develop high temperature thin film ceramic static strain gauges for application in turbine engines, specifically in the fan and compressor modules on blades. Other applications can be on aircraft hot section structures and on thermal protection systems. The near-term interim goal of the research effort was to identify candidate thin film ceramic sensor materials to test for viability and provide a list of possible thin film ceramic sensor materials and corresponding properties to test for viability. This goal was achieved by a thorough literature search for ceramics that have the potential for application as high temperature thin film strain gauges, reviewing potential candidate materials for chemical and physical compatibility with our microfabrication procedures and substrates.

Thin Film Ceramic Strain Sensor Development for Harsh Environments: Identification of Candidate Thin Film Ceramics to Test for Viability for Static Strain Sensor Development

NASA Technical Reports Server (NTRS)

Wrbanek, John D.; Fralick, Gustave C.; Hunter, Gary W.

2006-01-01

The need to consider ceramic sensing elements is brought about by the temperature limits of metal thin film sensors in propulsion system applications. In order to have a more passive method of negating changes of resistance due to temperature, an effort is underway at NASA GRC to develop high temperature thin film ceramic static strain gauges for application in turbine engines, specifically in the fan and compressor modules on blades. Other applications include on aircraft hot section structures and on thermal protection systems. The near-term interim goal of this research effort was to identify candidate thin film ceramic sensor materials to test for viability and provide a list of possible thin film ceramic sensor materials and corresponding properties to test for viability. This goal was achieved by a thorough literature search for ceramics that have the potential for application as high temperature thin film strain gauges, reviewing potential candidate materials for chemical & physical compatibility with NASA GRC's microfabrication procedures and substrates.

Advanced materials for space nuclear power systems

NASA Technical Reports Server (NTRS)

Titran, Robert H.; Grobstein, Toni L.; Ellis, David L.

1991-01-01

The overall philosophy of the research was to develop and characterize new high temperature power conversion and radiator materials and to provide spacecraft designers with material selection options and design information. Research on three candidate materials (carbide strengthened niobium alloy PWC-11 for fuel cladding, graphite fiber reinforced copper matrix composites for heat rejection fins, and tungsten fiber reinforced niobium matrix composites for fuel containment and structural supports considered for space power system applications is discussed. Each of these types of materials offers unique advantages for space power applications.

Molecular level studies on interfacial hydration of zwitterionic and other antifouling polymers in situ.

PubMed

Leng, Chuan; Sun, Shuwen; Zhang, Kexin; Jiang, Shaoyi; Chen, Zhan

2016-08-01

Antifouling polymers have wide applications in biomedical engineering and marine industry. Recently, zwitterionic materials have been reported as promising candidates for antifouling applications, while strong hydration is believed to be the key antifouling mechanism. Zwitterionic materials can be designed with various molecular structures, which affect their hydration and antifouling performance. Although strong hydration has been proposed to occur at the material surfaces, probing the solid material/water interfaces is challenging with traditional analytical techniques. Here in this review, we will review our studies on surface hydration of zwitterionic materials and other antifouling materials by using sum frequency generation (SFG) vibrational spectroscopy, which provides molecular understanding of the water structures at various material surfaces. The materials studied include zwitterionic polymer brushes with different molecular structures, amphiphilic polymers with zwitterionic groups, uncharged hydrophilic polymer brushes, amphiphilic polypeptoids, and widely used antifouling material poly(ethylene glycol). We will compare the differences among zwitterionic materials with various molecular structures as well as the differences between antifouling materials and fouling surfaces of control samples. We will also discuss the effects of pH and biological molecules like proteins on the surface hydration of the zwitterionic materials. Using SFG spectroscopy, we have measured the hydration layers of antifouling materials and found that strong hydrogen bonds are key to the formation of strong hydration layers preventing protein fouling at the polymer interfaces. Antifouling polymers have wide applications in biomedical engineering and marine industry. Recently, zwitterionic materials have been reported as promising candidates for antifouling applications, while strong hydration is believed to be the key antifouling mechanism. However, zwitterionic materials can be designed with various molecular structures, which affect their hydration and antifouling performance. Moreover, although strong hydration has been proposed to occur at the material surfaces, probing the solid material/water interfaces is challenging with traditional analytical techniques. Here in this manuscript, we will review our studies on surface hydration of zwitterionic materials and other antifouling materials by using sum frequency generation (SFG) vibrational spectroscopy, which provides molecular understanding of the water structures at various material surfaces. The materials studied include zwitterionic polymer brushes with different molecular structures, amphiphilic polymers with zwitterionic groups, uncharged hydrophilic polymer brushes, amphiphilic polypeptoids, and widely used antifouling material poly(ethylene glycol). We will compare the differences among zwitterionic materials with various molecular structures as well as the differences between antifouling materials and fouling surfaces of control samples. We will also discuss the effects of pH and biological molecules like proteins on the surface hydration of the zwitterionic materials. All the SFG results indicate that strongly hydrogen-bonded water at the materials' surfaces (strong surface hydration) is closely correlated to the good antifouling properties of the materials. This review will be widely interested by readers of Acta Biomaterialia and will impact many different research fields in chemistry, materials, engineering, and beyond. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.

PubMed

Liu, Wei; Fang, Yang; Wei, George Z; Teat, Simon J; Xiong, Kecai; Hu, Zhichao; Lustig, William P; Li, Jing

2015-07-29

Copper(I) iodide (CuI)-based inorganic-organic hybrid materials in the general chemical formula of CuI(L) are well-known for their structural diversity and strong photoluminescence and are therefore considered promising candidates for a number of optical applications. In this work, we demonstrate a systematic, bottom-up precursor approach to developing a series of CuI(L) network structures built on CuI rhomboid dimers. These compounds combine strong luminescence due to the CuI inorganic modules and significantly enhanced thermal stability as a result of connecting individual building units into robust, extended networks. Examination of their optical properties reveals that these materials not only exhibit exceptionally high photoluminescence performance (with internal quantum yield up to 95%) but also that their emission energy and color are systematically tunable through modification of the organic component. Results from density functional theory calculations provide convincing correlations between these materials' crystal structures and chemical compositions and their optophysical properties. The advantages of cost-effective, solution-processable, easily scalable and fully controllable synthesis as well as high quantum efficiency with improved thermal stability, make this phosphor family a promising candidate for alternative, RE-free phosphors in general lighting and illumination. This solution-based precursor approach creates a new blueprint for the rational design and controlled synthesis of inorganic-organic hybrid materials.

Accelerating the design of solar thermal fuel materials through high throughput simulations.

PubMed

Liu, Yun; Grossman, Jeffrey C

2014-12-10

Solar thermal fuels (STF) store the energy of sunlight, which can then be released later in the form of heat, offering an emission-free and renewable solution for both solar energy conversion and storage. However, this approach is currently limited by the lack of low-cost materials with high energy density and high stability. In this Letter, we present an ab initio high-throughput computational approach to accelerate the design process and allow for searches over a broad class of materials. The high-throughput screening platform we have developed can run through large numbers of molecules composed of earth-abundant elements and identifies possible metastable structures of a given material. Corresponding isomerization enthalpies associated with the metastable structures are then computed. Using this high-throughput simulation approach, we have discovered molecular structures with high isomerization enthalpies that have the potential to be new candidates for high-energy density STF. We have also discovered physical principles to guide further STF materials design through structural analysis. More broadly, our results illustrate the potential of using high-throughput ab initio simulations to design materials that undergo targeted structural transitions.

Infrared thermographic evaluation of marine composite structures

NASA Astrophysics Data System (ADS)

Jones, Thomas S.

1995-06-01

Glass fiber composite materials have been used for many years in the construction of pleasure, cruising, and racing marine vessels. These vessels have demonstrated excellent performance characteristics and have been reliable in service. Even so, as with all material systems, they are subject to damage from accident, neglect, and abuse. Traditional nondestructive inspection approaches are not always fully effective for examining composite marine structures. Infrared imaging offers a particularly attractive approach for the inspection of composite material structures. Glass fiber composites frequently possess a combination of thermal properties that make them good candidates for infrared thermographic evaluation while other nondestructive evaluation approaches provide limited success. Infrared thermography combines the advantages of being nondestructive with the capability of rapidly inspecting wide surface areas.

The high temperature creep behavior of oxides and oxide fibers

NASA Technical Reports Server (NTRS)

Jones, Linda E.; Tressler, Richard E.

1991-01-01

A thorough review of the literature was conducted on the high-temperature creep behavior of single and polycrystalline oxides which potentially could serve as fiber reinforcements in ceramics or metal matrix applications. Sapphire when oriented with the basal plane perpendicular to the fiber axis (c-axis oriented) is highly creep resistant at temperatures in excess of 1600 C and applied loads of 100 MPa and higher. Pyramidal slip is preferentially activated in sapphire under these conditions and steady-state creep rates in the range of 10(exp -7) to 10 (exp -8)/s were reported. Data on the creep resistance of polycrystalline beryllia suggest that C-axiz oriented single crystal beryllia may be a viable candidate as a fiber reinforcement material; however, the issure of fabricability and moisture sensitivity must be addressed for this material. Yttrium aluminum garnet (YAG) also appears to be a fiber candidate material having a high resistance to creep which is due to it's complex crystal structure and high Peierl resistance. The high creep resistance of garnet suggests that there may be other complex ternary oxides such as single crystal mullite which may also be candidate materials for fiber reinforcements. Finally, CVD and single crystal SiC, although not oxides, do possess a high resistance to creep in the temperature range between 1550 and 1850 C and under stresses of 110 to 220 MPa. From a review of the literature, it appears that for high creep resistant applications sapphire, silicon carbide, yttrium aluminum garnet, mullite, and beryllia are desirable candidate materials which require further investigation.

A Comparison of the Human Characteristics of Curriculum Materials Used in an Air National Guard Leadership Development Program with the Characteristics of Students Encountering the Materials: A Study Using the Annehurst Curriculum Classification System.

ERIC Educational Resources Information Center

French, Russell L.; And Others

The Annehurst Curriculum Classification System (ACCS), a tool for matching individual learners with appropriate curriculum materials, was used with a group of fifty-nine students (Air National Guard officer candidates) and their four instructor-advisors to examine two issues: (1) the applicability of the ACCS in a highly structured,…

Insights into the distinct lithiation/sodiation of porous cobalt oxide by in operando synchrotron x-ray techniques and ab initio molecular dynamics simulations

DOE PAGES

Xu, Gui -Liang; Sheng, Tian; Chong, Lina; ...

2017-01-10

Sodium-ion batteries (SIBs) have been considered as one of the promising power source candidates for the stationary storage industries owing to the much lower cost of sodium than lithium. It is well-known that the electrode materials largely determine the energy density of the battery systems. However, recent discoveries on the electrode materials showed that most of them present distinct lithium and sodium storage performance, which is not yet well understood. In this work, we performed a comparative understanding on the structural changes of porous cobalt oxide during its electrochemical lithiation and sodiation process by in operando synchrotron small angel X-raymore » scattering, X-ray diffraction, and X-ray absorption spectroscopy. It was found that compared to the lithiation process, the porous cobalt oxide undergoes less pore structure changes, oxidation state, and local structure changes as well as crystal structure evolution during its sodiation process, which is attributed to the intrinsic low sodiation activity of cobalt oxide as evidenced by ab initio molecular dynamics simulations. Moreover, it was indicated that the sodiation activity of metal sulfides is higher than that of metal oxides, indicating a better candidate for SIBs. Furthermore, such understanding is crucial for future design and improvement of high-performance electrode materials for SIBs.« less

Manufacturing Methods and Technology Project Summary Reports

DTIC Science & Technology

1984-06-01

was selected as the composite material. This selection was based upon the following advantages in comparison to aluminum: 0 Stiffness to weight...closer to titanium than aluminum. Other composite candidate materials considered ( glass , Kevlar and metal matrix) did not offer all of these...of the bearing support ring, and the attachment of the bearing support ring to the composite gimbal base plate. A thermal test structure, which

Semiconductor Materials for High Frequency Solid State Sources.

DTIC Science & Technology

1985-01-18

saturation on near and submicron-scale device performance. The motivation for this is as follows: Presently, individual semiconductors are accepted or...basis of all FET scaling procedures; and is a major motivating factor for going to submicron structures. This scaling was tested with the 4 following...performance. The motivation for this is as follows: Presently, individual semiconductors are accepted or rejected as candidate device materials based, in

A One-Piece Lunar Regolith Bag Garage Prototype

NASA Technical Reports Server (NTRS)

Smithers, G. A.; Nehls, M. K.; Hovater, M. A.; Evans, S. W.; Miller, J. S.; Broughton, R. M., Jr.; Beale, D.; Kilinc-Balci, F.

2007-01-01

Shelter structures on the moon, even in early phases of exploration, should incorporate lunar materials as much as possible. This Technical Memorandum details the design and construction of a prototype for a one-piece regolith bag unpressurized garage concept and a materials testing program to investigate six candidate fabrics to learn how they might perform in the lunar environment. The conceptualization was that a lightweight fabric form be launched from Earth and landed on the lunar surface to be robotically filled with raw lunar regolith. Regolith bag fabric candidates included: Vectran(TM), Nextel(TM), Gore PTFE Fabric(TM), Zylon(TM), Twaron(TM), and Nomex(TM). Tensile (including post radiation exposure), fold, abrasion, and hypervelocity impact testing were performed under ambient conditions, and also performed under cold and elevated temperatures. In some cases, Johnson Space Center lunar simulant (JSC-1) was used in conjunction with testing. A series of preliminary structures was constructed during final prototype design based on the principles of the classic masonry arch. The prototype was constructed of Kevlar(TM) and filled with vermiculite. The structure is free-standing, but has not yet been load tested. Future plans would be to construct higher fidelity prototypes and to conduct appropriate tests of the structure.

New materials and structures for photovoltaics

NASA Astrophysics Data System (ADS)

Zunger, Alex; Wagner, S.; Petroff, P. M.

1993-01-01

Despite the fact that over the years crystal chemists have discovered numerous semiconducting substances, and that modern epitaxial growth techniques are able to produce many novel atomic-scale architectures, current electronic and opto-electronic technologies are based but on a handful of ˜10 traditional semiconductor core materials. This paper surveys a number of yet-unexploited classes of semiconductors, pointing to the much-needed research in screening, growing, and characterizing promising members of these classes. In light of the unmanageably large number of a-priori possibilities, we emphasize the role that structural chemistry and modern computer-aided design must play in screening potentially important candidates. The basic classes of materials discussed here include nontraditional alloys, such as non-isovalent and heterostructural semiconductors, materials at reduced dimensionality, including superlattices, zeolite-caged nanostructures and organic semiconductors, spontaneously ordered alloys, interstitial semiconductors, filled tetrahedral structures, ordered vacancy compounds, and compounds based on d and f electron elements. A collaborative effort among material predictor, material grower, and material characterizer holds the promise for a successful identification of new and exciting systems.

p × n-Type Transverse Thermoelectrics: A Novel Type of Thermal Management Material

NASA Astrophysics Data System (ADS)

Tang, Yang; Cui, Boya; Zhou, Chuanle; Grayson, Matthew

2015-06-01

In this paper we review the recently identified p × n-type transverse thermoelectrics and study the thermoelectric properties of the proposed candidate materials. Anisotropic electron and hole conductivity arise from either an artificially engineered band structure or from appropriately anisotropic crystals, and result in orthogonal p-type and n-type directional Seebeck coefficients, inducing a non-zero off-diagonal transverse Seebeck coefficient with appropriately oriented currents. Such materials have potential for new applications of thermoelectric materials in transverse Peltier cooling and transverse thermal energy harvesting. In this paper we review general transverse thermoelectric phenomena to identify advantages of p × n-type transverse thermoelectrics compared with previously studied transverse thermoelectric phenomena. An intuitive overview of the band structure of one such p × n-material, the InAs/GaSb type-II superlattice, is introduced, and the plot of thermoelectric performance as a function of superlattice structure is calculated, as an example of how band structures can be optimized for the best transverse thermoelectric performance.

Two-Dimensional Layered Oxide Structures Tailored by Self-Assembled Layer Stacking via Interfacial Strain

DOE PAGES

Zhang, Wenrui; Li, Mingtao; Chen, Aiping; ...

2016-06-13

Two-dimensional (2D) nanostructures emerge as one of leading topics in fundamental materials science and could enable next generation nanoelectronic devices. Beyond graphene and molybdenum disulphide, layered complex oxides are another large group of promising 2D candidates because of their strong interplay of intrinsic charge, spin, orbital and lattice. As a fundamental basis of heteroepitaxial thin film growth, interfacial strain can be used to design materials exhibiting new phenomena beyond their conventional form. Here we report the strain-driven self-assembly of Bismuth-based supercells (SC) with a 2D layered structure, and elucidate the fundamental growth mechanism with combined experimental tools and first-principles calculations.more » The study revealed that the new layered structures were formed by the strain-enabled self-assembled atomic layer stacking, i.e., alternative growth of Bi 2O 2 layer and [Fe 0.5Mn 0.5]O 6 layer. The strain-driven approach is further demonstrated in other SC candidate systems with promising room-temperature multiferroic properties. This well-integrated theoretical and experimental study inspired by the Materials Genome Initiatives opens up a new avenue in searching and designing novel 2D layered complex oxides with enormous promises.« less

Electron Doping a Kagome Spin Liquid

NASA Astrophysics Data System (ADS)

Kelly, Zachary; Gallagher, Miranda; McQueen, Tyrel

In 1987, Anderson proposed that charge doping a material with the resonating valance bond (RVB) state would yield a superconducting state. Ever since, there has been a search for these RVB containing spin liquid materials and their charge doped counterparts. Studies on the most promising spin liquid candidate, Herbertsmithite, ZnCu3(OH)6Cl2, a two dimensional kagomé lattice, show evidence of fractionalized excitations and a gapped ground state. In this work, we report the synthesis and characterization of a newly synthesized electron doped spin liquid, ZnLixCu3(OH)6Cl2 from x = 0 to x = 1.8 (3 / 5 th per Cu2+). Despite heavy doping, the series remains insulating and the magnetism is systematically suppressed. We have done extensive structural studies of the doped series to determine the effect of the intercalated atoms on the structure, and whether these structural differences induce strong localization effects that suppress the metallic and superconducting states. Other doped spin liquid candidates are also being explored to understand if this localization is system dependent or systemic to all doped spin liquid systems. NSF, Division of Materials Research (DMR), Solid State Chemistry (SSMC), CAREER Grant under Award No. DMR- 1253562, Institute for Quantum Matter under Grant No.DE-FG02- 08ER46544, and the David and Lucile Packard Foundation.

Thermally-Conductive Metallic Coatings and Applications for Heat Removal on In-Space Cryogenic Vehicles

NASA Technical Reports Server (NTRS)

Ameen, Lauren; Hervol, David; Waters, Deborah

2017-01-01

For large in-space cryogenic upper stages, substantial axial heat removal from a forward skirt by vapor-based heat interception may not be achieved by simple attachment methods unless sufficient thermal conductance from the skirt to the cooling fluid can be achieved. Preferable methods would allow for the addition of the cooling system to existing structure with minimal impact on the structure. Otherwise, significant modification to the basic structural design andor novel and complex attachment mechanisms with high effective thermal conductance are likely to be required. The approach being pursued by evolvable Cryogenics (eCryo) is to increase the thermal performance of a relatively simple attachment system by applying metallic or other thermally conductive material coatings to the mating surface area of the fluid channel where it is attached the skirt wall. The expectation of candidate materials is that the dramatic increase in conductivity of pure metals at temperatures close to liquid hydrogen vapor temperature will compensate for the reduced actual contact area typical of mechanical joints. Basic contact conductance data at low temperatures for candidate interface materials is required to enable the test approach. A test rig was designed at NASA Glenn Research Center to provide thermal contact resistance testing between small sample coupons coated with conductive material via electron beam evaporation, a low-temperature option that will not affect physical properties of base materials. Average coating thicknesses were 10 k. The test fixture was designed to mount directly to a cryocooler cold head within a vacuum test chamber. The purpose of this test was to determine qualitative contact conductance between various test samples. Results from this effort will be implemented in a sub-scale vapor-based heat interception test, where the applicability for increased heat removal on large structural skirts will be considered.

Characterization and modeling of an advanced flexible thermal protection material for space applications

NASA Technical Reports Server (NTRS)

Clayton, Joseph P.; Tinker, Michael L.

1991-01-01

This paper describes experimental and analytical characterization of a new flexible thermal protection material known as Tailorable Advanced Blanket Insulation (TABI). This material utilizes a three-dimensional ceramic fabric core structure and an insulation filler. TABI is the leading candidate for use in deployable aeroassisted vehicle designs. Such designs require extensive structural modeling, and the most significant in-plane material properties necessary for model development are measured and analytically verified in this study. Unique test methods are developed for damping measurements. Mathematical models are developed for verification of the experimental modulus and damping data, and finally, transverse properties are described in terms of the inplane properties through use of a 12-dof finite difference model of a simple TABI configuration.

Structure solution of network materials by solid-state NMR without knowledge of the crystallographic space group.

PubMed

Brouwer, Darren H

2013-01-01

An algorithm is presented for solving the structures of silicate network materials such as zeolites or layered silicates from solid-state (29)Si double-quantum NMR data for situations in which the crystallographic space group is not known. The algorithm is explained and illustrated in detail using a hypothetical two-dimensional network structure as a working example. The algorithm involves an atom-by-atom structure building process in which candidate partial structures are evaluated according to their agreement with Si-O-Si connectivity information, symmetry restraints, and fits to (29)Si double quantum NMR curves followed by minimization of a cost function that incorporates connectivity, symmetry, and quality of fit to the double quantum curves. The two-dimensional network material is successfully reconstructed from hypothetical NMR data that can be reasonably expected to be obtained for real samples. This advance in "NMR crystallography" is expected to be important for structure determination of partially ordered silicate materials for which diffraction provides very limited structural information. Copyright © 2013 Elsevier Inc. All rights reserved.

The development of composite materials for spacecraft precision reflector panels

NASA Technical Reports Server (NTRS)

Tompkins, Stephen S.; Bowles, David E.; Funk, Joan G.; Towell, Timothy W.; Lavoie, J. A.

1990-01-01

One of the critical technology needs for large precision reflectors required for future astrophysics and optical communications is in the area of structural materials. Therefore, a major area of the Precision Segmented Reflector Program at NASA is to develop lightweight composite reflector panels with durable, space environmentally stable materials which maintain both surface figure and required surface accuracy necessary for space telescope applications. Results from the materials research and development program at NASA Langley Research Center are discussed. Advanced materials that meet the reflector panel requirements are identified. Thermal, mechanical and durability properties of candidate materials after exposure to simulated space environments are compared to the baseline material.

Development of flame-resistant structures for use in the Apollo and Skylab programs

NASA Technical Reports Server (NTRS)

Coskren, R. J.

1973-01-01

Flame-resistant materials have been designed and fabricated to meet certain end-use criteria established by NASA with emphasis on meeting established flammability standards. The program had three general phases: (1) fabrication of candidate sample structures for evaluation by the Structures and Mechanics Division and/or NASA contractors; (2) physical testing of the structures developed; and (3) supply of required quantities of specific items for fabrication into prototype and/or flight items for the Apollo and Skylab programs.

Fractional calculus in biomechanics: a 3D viscoelastic model using regularized fractional derivative kernels with application to the human calcaneal fat pad.

PubMed

Freed, A D; Diethelm, K

2006-11-01

A viscoelastic model of the K-BKZ (Kaye, Technical Report 134, College of Aeronautics, Cranfield 1962; Bernstein et al., Trans Soc Rheol 7: 391-410, 1963) type is developed for isotropic biological tissues and applied to the fat pad of the human heel. To facilitate this pursuit, a class of elastic solids is introduced through a novel strain-energy function whose elements possess strong ellipticity, and therefore lead to stable material models. This elastic potential - via the K-BKZ hypothesis - also produces the tensorial structure of the viscoelastic model. Candidate sets of functions are proposed for the elastic and viscoelastic material functions present in the model, including two functions whose origins lie in the fractional calculus. The Akaike information criterion is used to perform multi-model inference, enabling an objective selection to be made as to the best material function from within a candidate set.

Silica Materials for Medical Applications

PubMed Central

Vallet-Regí, María; Balas, Francisco

2008-01-01

The two main applications of silica-based materials in medicine and biotechnology, i.e. for bone-repairing devices and for drug delivery systems, are presented and discussed. The influence of the structure and chemical composition in the final characteristics and properties of every silica-based material is also shown as a function of the both applications presented. The adequate combination of the synthesis techniques, template systems and additives leads to the development of materials that merge the bioactive behavior with the drug carrier ability. These systems could be excellent candidates as materials for the development of devices for tissue engineering. PMID:19662110

Massively Parallel Nanostructure Assembly Strategies for Sensing and Information Technology. Phase 2

DTIC Science & Technology

2013-05-25

field. This work has focused on the synthesis of new functional materials and the development of high-throughput, facile methods to assemble...Hong (Seoul National University, Korea). Specifically, gapped nanowires (GNW) were identified as candidate materials for synthesis and assembly as...Throughout the course of this grant, we reported major accomplishments both in the synthesis and assembly of such structures. Synthetically, we report three

Perylene-Based All-Organic Redox Battery with Excellent Cycling Stability.

PubMed

Iordache, Adriana; Delhorbe, Virginie; Bardet, Michel; Dubois, Lionel; Gutel, Thibaut; Picard, Lionel

2016-09-07

Organic materials derived from biomass can constitute a viable option as replacements for inorganic materials in lithium-ion battery electrodes owing to their low production costs, recyclability, and structural diversity. Among them, conjugated carbonyls have become the most promising type of organic electrode material as they present high theoretical capacity, fast reaction kinetics, and quasi-infinite structural diversity. In this letter, we report a new perylene-based all-organic redox battery comprising two aromatic conjugated carbonyl electrode materials, the prelithiated tetra-lithium perylene-3,4,9,10-tetracarboxylate (PTCLi6) as negative electrode material and the poly(N-n-hexyl-3,4,9,10-perylene tetracarboxylic)imide (PTCI) as positive electrode material. The resulting battery shows promising long-term cycling stability up to 200 cycles. In view of the enhanced cycling performances, the two organic materials studied herein are proposed as suitable candidates for the development of new all-organic lithium-ion batteries.

Reliability of Scores Obtained from Self-, Peer-, and Teacher-Assessments on Teaching Materials Prepared by Teacher Candidates

ERIC Educational Resources Information Center

Nalbantoglu Yilmaz, Funda

2017-01-01

This study aims to determine the reliability of scores obtained from self-, peer-, and teacher-assessments in terms of teaching materials prepared by teacher candidates. The study group of this research constitutes 56 teacher candidates. In the scope of research, teacher candidates were asked to develop teaching material related to their study.…

Effect of Different Structural Materials on Neutronic Performance of a Hybrid Reactor

NASA Astrophysics Data System (ADS)

Übeyli, Mustafa; Tel, Eyyüp

2003-06-01

Selection of structural material for a fusion-fission (hybrid) reactor is very important by taking into account of neutronic performance of the blanket. Refractory metals and alloys have much higher operating temperatures and neutron wall load (NWL) capabilities than low activation materials (ferritic/martensitic steels, vanadium alloys and SiC/SiC composites) and austenitic stainless steels. In this study, effect of primary candidate refractory alloys, namely, W-5Re, T111, TZM and Nb-1Zr on neutronic performance of the hybrid reactor was investigated. Neutron transport calculations were conducted with the help of SCALE 4.3 System by solving the Boltzmann transport equation with code XSDRNPM. Among the investigated structural materials, tantalum had the worst performance due to the fact that it has higher neutron absorption cross section than others. And W-5Re and TZM having similar results showed the best performance.

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

Xu, Yun; Zhao, Mingyang; Khalid, Syed

The high voltage cathode material, LiMn 1.6Ni 0.4O 4, was prepared by a polymer-assisted method. The novelty of this paper is the substitution of Ni with Mn, which already exists in the crystal structure instead of other isovalent metal ion dopants which would result in capacity loss. The electrochemical performance testing including stability and rate capability was evaluated. The temperature was found to impose a change on the valence and structure of the cathode materials. Specifically, manganese tends to be reduced at a high temperature of 800 °C and leads to structural changes. The manganese substituted LiMn 1.5Ni 0.5O 4more » (LMN) has proved to be a good candidate material for Li-ion battery cathodes displaying good rate capability and capacity retention. Finally, the cathode materials processed at 550 °C showed a stable performance with negligible capacity loss for 400 cycles.« less

Orthotropic Laminated Open-cell Frameworks Retaining Strong Auxeticity under Large Uniaxial Loading

NASA Astrophysics Data System (ADS)

Tanaka, Hiro; Suga, Kaito; Iwata, Naoki; Shibutani, Yoji

2017-01-01

Anisotropic materials form inside living tissue and are widely applied in engineered structures, where sophisticated structural and functional design principles are essential to employing these materials. This paper presents a candidate laminated open-cell framework, which is an anisotropic material that shows remarkable mechanical performance. Using additive manufacturing, artificial frameworks are fabricated by lamination of in-plane orthotropic microstructures made of elbowed beam and column members; this fabricated structure features orthogonal anisotropy in three-dimensional space. Uniaxial loading tests reveal strong auxeticity (high negative Poisson’s ratios) in the out-of-plane direction, which is retained reproducibly up to the nonlinear elastic region, and is equal under tensile and compressive loading. Finite element simulations support the observed auxetic behaviors for a unit cell in the periodic framework, which preserve the theoretical elastic properties of an orthogonal solid. These findings open the possibility of conceptual materials design based on geometry.

Materials technology for an advanced space power nuclear reactor concept: Program summary

NASA Technical Reports Server (NTRS)

Gluyas, R. E.; Watson, G. K.

1975-01-01

The results of a materials technology program for a long-life (50,000 hr), high-temperature (950 C coolant outlet), lithium-cooled, nuclear space power reactor concept are reviewed and discussed. Fabrication methods and compatibility and property data were developed for candidate materials for fuel pins and, to a lesser extent, for potential control systems, reflectors, reactor vessel and piping, and other reactor structural materials. The effects of selected materials variables on fuel pin irradiation performance were determined. The most promising materials for fuel pins were found to be 85 percent dense uranium mononitride (UN) fuel clad with tungsten-lined T-111 (Ta-8W-2Hf).

A structural model for composite rotor blades and lifting surfaces

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.; Atilgan, Ali R.

1987-01-01

Composite material systems are currently candidates for aerospace structures, primarily for the design flexibiity they offer i.e., it is possible to tailor the material and manufacturing approach to the application. Two notable examples are the wing of the Grumman/USAF/DARPA X-29 and rotor blades under development by the U.S.A. Aerostructures Directorate (AVSCOM), Langley Research Center. A working definition of elastic or structural tailoring is the use of structural concept, fiber orientation, ply stacking sequence, and a blend of materials to achieve specific performance goals. In the design process, choices of materials and dimensions are made which produce specific response characteristics which permit the selected goals to be achieved. Common choices for tailoring goals are preventing instabilities or vibration resonances or enhancing damage tolerance. An essential, enabling factor in the design of tailored composite structures is structural modeling that accurately, but simply, characterizes response. The objective of this paper is to improve the single-cell beam model for composite rotor blades or lifting surfaces and to demonstrate its usefullness in applications.

Large scale phononic metamaterials for seismic isolation

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

Aravantinos-Zafiris, N.; Sigalas, M. M.

In this work, we numerically examine structures that could be characterized as large scale phononic metamaterials. These novel structures could have band gaps in the frequency spectrum of seismic waves when their dimensions are chosen appropriately, thus raising the belief that they could be serious candidates for seismic isolation structures. Different and easy to fabricate structures were examined made from construction materials such as concrete and steel. The well-known finite difference time domain method is used in our calculations in order to calculate the band structures of the proposed metamaterials.

Accelerating the Design of Solar Thermal Fuel Materials through High Throughput Simulations

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

Liu, Y; Grossman, JC

2014-12-01

Solar thermal fuels (STF) store the energy of sunlight, which can then be released later in the form of heat, offering an emission-free and renewable solution for both solar energy conversion and storage. However, this approach is currently limited by the lack of low-cost materials with high energy density and high stability. In this Letter, we present an ab initio high-throughput computational approach to accelerate the design process and allow for searches over a broad class of materials. The high-throughput screening platform we have developed can run through large numbers of molecules composed of earth-abundant elements and identifies possible metastablemore » structures of a given material. Corresponding isomerization enthalpies associated with the metastable structures are then computed. Using this high-throughput simulation approach, we have discovered molecular structures with high isomerization enthalpies that have the potential to be new candidates for high-energy density STF. We have also discovered physical principles to guide further STF materials design through structural analysis. More broadly, our results illustrate the potential of using high-throughput ab initio simulations to design materials that undergo targeted structural transitions.« less

Searching for Sustainable and "Greener" Li-ion Batteries

ScienceCinema

Tarascon, Jean-Marie [University of Picardie at Aimens, France

2017-12-09

Lithium-ion batteries are strong candidates for powering upcoming generations of hybrid electric vehicles and plug-in hybrid electric vehicles. But improvements in safety must be achieved while keeping track of materials resources and abundances, as well as materials synthesis and recycling processes, all of which could inflict a heavy energy cost. Thus, electrode materials that have a minimum footprint in nature and are made via eco-efficient processes are sorely needed. The arrival of electrode materials based on minerals such as LiFePO4 (tryphilite) is a significant, but not sufficient, step toward the long-term demand for materials sustainability. The eco-efficient synthesis of LiFePO4 nanopowders via hydrothermal/ solvo-thermal processes using latent bases, structure directing templates, or other bio-related approaches will be presented in this talk. However, to secure sustainability and greeness, organic electrodes appear to be ideal candidates.... We took a fresh look at organic based electrodes; the results of this research into sequentially metal-organic-framework electrodes and Li-based organic electrodes (LixCyOz) will be reported and discussed.

A One-Piece Lunar Regolith-Bag Garage Prototype

NASA Technical Reports Server (NTRS)

Smithers, Gweneth A.; Nehls, Mary K.; Hovater, Mary A.; Evans, Steven W.; Miller, J. Scott; Broughton, Roy M., Jr.; Beale, David; Killinc-Balci, Fatma

2006-01-01

Shelter structures on the moon, even in early phases of exploration, should incorporate lunar materials as much as possible. We designed and constructed a prototype for a one-piece regolith-bag unpressurized garage concept, and, in parallel, we conducted a materials testing program to investigate six candidate fabrics to learn how they might perform in the lunar environment. In our concept, a lightweight fabric form is launched from Earth to be landed on the lunar surface and robotically filled with raw lunar regolith. In the materials testing program, regolith-bag fabric candidates included: VectranTM, NextelTM, Gore PTFE FabricTM, ZylonTM TwaronTM and NomexTM. Tensile (including post radiation exposure), fold, abrasion, and hypervelocity impact testing were performed under ambient conditions, and, within our current means, we also performed these tests under cold and elevated temperatures. In some cases, lunar simulant (JSC-1) was used in conjunction with testing. Our ambition is to continuously refine our testing to reach lunar environmental conditions to the extent possible. A series of preliminary structures were constructed during design of the final prototype. Design is based on the principles of the classic masonry arch. The prototype was constructed of KevlarTM and filled with vermiculite (fairly close to the weight of lunar regolith on the moon). The structure is free-standing, but has not yet been load tested. Our plan for the future would be to construct higher fidelty mockups with each iteration, and to conduct appropriate tests of the structure.

A One-Piece Lunar Regolith-Bag Garage Prototype

NASA Technical Reports Server (NTRS)

Smithers, Gweneth A.; Nehls, Mary K.; Hovater, Mary A.; Evans, Steven W.; Miller, J. Scott; Broughton, Roy M.; Beale, David; Killing-Balci, Fatma

2007-01-01

Shelter structures on the moon, even in early phases of exploration, should incorporate lunar materials as much as possible. We designed and constructed a prototype for a one-piece regolith-bag unpressurized garage concept, and, in parallel, we conducted a materials testing program to investigate six candidate fabrics to learn how they might perform in the lunar environment. In our concept, a lightweight fabric form is launched from Earth to be landed on the lunar surface and robotically filled with raw lunar regolith. In the materials testing program, regolith-bag fabric candidates included: Vectran(TM), Nextel(TM), Gore PTFE Fabric(TM), Zylon(TM), Twaron(TM), and Nomex(TM). Tensile (including post radiation exposure), fold, abrasion, and hypervelocity impact testing were performed under ambient conditions, and, within our current means, we also performed these tests under cold and elevated temperatures. In some cases, lunar simulant (JSC-1) was used in conjunction with testing. Our ambition is to continuously refine our testing to reach lunar environmental conditions to the extent possible. A series of preliminary structures were constructed during design of the final prototype. Design is based on the principles of the classic masonry arch. The prototype was constructed of Kevlar(TM) and filled with vermiculite (fairly close to the weight of lunar regolith on the moon). The structure is free-standing, but has not yet been load tested. Our plan for the future would be to construct higher fidelity mockups with each iteration, and to conduct appropriate tests of the structure.

Oxide Thermoelectric Materials: A Structure-Property Relationship

NASA Astrophysics Data System (ADS)

Nag, Abanti; Shubha, V.

2014-04-01

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

Perovskite Materials: Solar Cell and Optoelectronic Applications

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

Yang, Bin; Geohegan, David B; Xiao, Kai

2017-01-01

Hybrid organometallic trihalide perovskites are promising candidates in the applications for next-generation, high-performance, low-cost optoelectronic devices, including photovoltaics, light emitting diodes, and photodetectors. Particularly, the solar cells based on this type of materials have reached 22% lab scale power conversion efficiency in only about seven years, comparable to the other thin film photovoltaic technologies. Hybrid perovskite materials not only exhibit superior optoelectronic properties, but also show many interesting physical properties such as ion migration and defect physics, which may allow the exploration of more device functionalities. In this article, the fundamental understanding of the interrelationships between crystal structure, electronic structure,more » and material properties is discussed. Various chemical synthesis and processing methods for superior device performance in solar cells and optoelectronic devices are reviewed.« less

High-Reflection Coatings for Gravitational-Wave Detectors: State of The Art and Future Developments

NASA Astrophysics Data System (ADS)

Amato, Alex; Cagnoli, Gianpietro; Canepa, Maurizio; Coillet, Elodie; Degallaix, Jerome; Dolique, Vincent; Forest, Daniele; Granata, Massimo; Martinez, Valérie; Michel, Christophe; Pinard, Laurent; Sassolas, Benoit; Teillon, Julien

2018-02-01

We report on the optical, mechanical and structural characterization of the sputtered coating materials of Advanced LIGO, Advanced Virgo and KAGRA gravitational- waves detectors. We present the latest results of our research program aiming at decreasing coating thermal noise through doping, optimization of deposition parameters and post- deposition annealing. Finally, we propose sputtered Si3N4 as a candidate material for the mirrors of future detectors.

Computational identification of promising thermoelectric materials among known quasi-2D binary compounds

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

Gorai, Prashun; Toberer, Eric S.; Stevanović, Vladan

Quasi low-dimensional structures are abundant among known thermoelectric materials, primarily because of their low lattice thermal conductivities. In this work, we have computationally assessed the potential of 427 known binary quasi-2D structures in 272 different chemistries for thermoelectric performance. To assess the thermoelectric performance, we employ an improved version of our previously developed descriptor for thermoelectric performance [Yan et al., Energy Environ. Sci., 2015, 8, 983]. The improvement is in the explicit treatment of van der Waals interactions in quasi-2D materials, which leads to significantly better predictions of their crystal structures and lattice thermal conductivities. The improved methodology correctly identifiesmore » known binary quasi-2D thermoelectric materials such as Sb2Te3, Bi2Te3, SnSe, SnS, InSe, and In2Se3. As a result, we propose candidate quasi-2D binary materials, a number of which have not been previously considered for thermoelectric applications.« less

Advanced thermoelectric materials with enhanced crystal lattice structure and methods of preparation

NASA Technical Reports Server (NTRS)

Fleurial, Jean-Pierre (Inventor); Caillat, Thierry F. (Inventor); Borshchevsky, Alexander (Inventor)

1998-01-01

New skutterudite phases including Ru.sub.0.5 Pd.sub.0.5 Sb.sub.3, RuSb.sub.2 Te, and FeSb.sub.2 Te, have been prepared having desirable thermoelectric properties. In addition, a novel thermoelectric device has been prepared using skutterudite phase Fe.sub.0.5 Ni.sub.0.5 Sb.sub.3. The skutterudite-type crystal lattice structure of these semiconductor compounds and their enhanced thermoelectric properties results in semiconductor materials which may be used in the fabrication of thermoelectric elements to substantially improve the efficiency of the resulting thermoelectric device. Semiconductor materials having the desired skutterudite-type crystal lattice structure may be prepared in accordance with the present invention by using powder metallurgy techniques. Measurements of electrical and thermal transport properties of selected semiconductor materials prepared in accordance with the present invention, demonstrated high Hall mobilities and good Seebeck coefficients. These materials have low thermal conductivity and relatively low electrical resistivity, and are good candidates for low temperature thermoelectric applications.

Fusible heat sink materials - An identification of alternate candidates. [for astronaut thermoregulation in EVA portable life support systems

NASA Technical Reports Server (NTRS)

Selvaduray, Guna; Lomax, Curtis

1991-01-01

Fusible heat sinks are a possible source for thermal regulation of space suited astronauts. An extensive database search was undertaken to identify candidate materials with liquid solid transformations over the temperature range of -18 C to 5 C; and 1215 candidates were identified. Based on available data, 59 candidate materials with thermal storage capability, DeltaH values higher than that of water were identified. This paper presents the methodology utilized in the study, including the decision process used for materials selection.

Arrow-wing supersonic cruise aircraft structural design concepts evaluation. Volume 3: Sections 12 through 14

NASA Technical Reports Server (NTRS)

Sakata, I. F.; Davis, G. W.

1975-01-01

The design of an economically viable supersonic cruise aircraft requires the lowest attainable structural-mass fraction commensurate with the selected near-term structural material technology. To achieve this goal of minimum structural-mass fraction, various combinations of promising wing and fuselage primary structure were analyzed for the load-temperature environment applicable to the arrow wing configuration. This analysis was conducted in accordance with the design criteria specified and included extensive use of computer-aided analytical methods to screen the candidate concepts and select the most promising concepts for the in-depth structural analysis.

Metal- matrix composite processing technologies for aircraft engine applications

NASA Astrophysics Data System (ADS)

Pank, D. R.; Jackson, J. J.

1993-06-01

Titanium metal-matrix composites (MMC) are prime candidate materials for aerospace applications be-cause of their excellent high-temperature longitudinal strength and stiffness and low density compared with nickel- and steel-base materials. This article examines the steps GE Aircraft Engines (GEAE) has taken to develop an induction plasma deposition (IPD) processing method for the fabrication of Ti6242/SiC MMC material. Information regarding process methodology, microstructures, and mechani-cal properties of consolidated MMC structures will be presented. The work presented was funded under the GE-Aircraft Engine IR & D program.

Review of electronic transport models for thermoelectric materials

NASA Astrophysics Data System (ADS)

Bulusu, A.; Walker, D. G.

2008-07-01

Thermoelectric devices have gained importance in recent years as viable solutions for applications such as spot cooling of electronic components, remote power generation in space stations and satellites etc. These solid-state devices have long been known for their reliability rather than their efficiency; they contain no moving parts, and their performance relies primarily on material selection, which has not generated many excellent candidates. Research in recent years has been focused on developing both thermoelectric structures and materials that have high efficiency. In general, thermoelectric research is two-pronged with (1) experiments focused on finding new materials and structures with enhanced thermoelectric performance and (2) analytical models that predict thermoelectric behavior to enable better design and optimization of materials and structures. While numerous reviews have discussed the importance of and dependence on materials for thermoelectric performance, an overview of how to predict the performance of various materials and structures based on fundamental quantities is lacking. In this paper we present a review of the theoretical models that were developed since thermoelectricity was first observed in 1821 by Seebeck and how these models have guided experimental material search for improved thermoelectric devices. A new quantum model is also presented, which provides opportunities for the optimization of nanoscale materials to enhance thermoelectric performance.

Photothermal characterization of encapsulant materials for photovoltaic modules

NASA Technical Reports Server (NTRS)

Liang, R. H.; Gupta, A.; Distefano, S.

1982-01-01

A photothermal test matrix and a low cost testing apparatus for encapsulant materials of photovoltaic modules were defined. Photothermal studies were conducted to screen and rank existing as well as future encapsulant candidate materials and/or material formulations in terms of their long term physiochemical stability under accelerated photothermal aging conditions. Photothermal characterization of six candidate pottant materials and six candidate outer cover materials were carried out. Principal products of photothermal degradation are identified. Certain critical properties are also monitored as a function of photothermal aging.

Selection of High Temperature Organic Materials for Future Stirling Convertors

NASA Technical Reports Server (NTRS)

Shin, Euy-Sik Eugene

2017-01-01

In the future higher temperature Stirling convertors for improved efficiency and performance, various high temperature organic materials have been demanded as essential components for their unique properties and functions such as bonding, potting, sealing, thread locking, insulation, and lubrication. The higher temperature capabilities would also allow current state-of-the-art (SOA) convertors to be used in additional missions, particularly those that require a Venus flyby for a gravity assist. Stirling convertor radioisotope generators have been developed for potential future space applications including Lunar/Mars surface power or a variety of spacecraft and vehicles, especially with a long mission cycle, sometimes up to 17 years, such as deep space exploration. Thus, performance, durability, and reliability of the organics should be critically evaluated in terms of comprehensive structure-process-service environment relations based on the potential mission specifications. The initial efforts in screening the high temperature candidates focused on the most susceptible organics, such as adhesive, potting compound, o-ring, shrink tubing, and thread locker materials in conjunction with commercially available materials. More systematic and practical test methodologies that were developed and optimized based on the extensive organic evaluations and validations performed for various Stirling convertor types were employed to determine thermal stability, outgassing, and material compatibility of the selected organic candidates against their functional requirements. Processing and fabrication conditions and procedures were also optimized. This paper presents results of the three-step candidate evaluation processes, their application limitations, and the final selection recommendations.

Discovery of Intermetallic Compounds from Traditional to Machine-Learning Approaches.

PubMed

Oliynyk, Anton O; Mar, Arthur

2018-01-16

Intermetallic compounds are bestowed by diverse compositions, complex structures, and useful properties for many materials applications. How metallic elements react to form these compounds and what structures they adopt remain challenging questions that defy predictability. Traditional approaches offer some rational strategies to prepare specific classes of intermetallics, such as targeting members within a modular homologous series, manipulating building blocks to assemble new structures, and filling interstitial sites to create stuffed variants. Because these strategies rely on precedent, they cannot foresee surprising results, by definition. Exploratory synthesis, whether through systematic phase diagram investigations or serendipity, is still essential for expanding our knowledge base. Eventually, the relationships may become too complex for the pattern recognition skills to be reliably or practically performed by humans. Complementing these traditional approaches, new machine-learning approaches may be a viable alternative for materials discovery, not only among intermetallics but also more generally to other chemical compounds. In this Account, we survey our own efforts to discover new intermetallic compounds, encompassing gallides, germanides, phosphides, arsenides, and others. We apply various machine-learning methods (such as support vector machine and random forest algorithms) to confront two significant questions in solid state chemistry. First, what crystal structures are adopted by a compound given an arbitrary composition? Initial efforts have focused on binary equiatomic phases AB, ternary equiatomic phases ABC, and full Heusler phases AB 2 C. Our analysis emphasizes the use of real experimental data and places special value on confirming predictions through experiment. Chemical descriptors are carefully chosen through a rigorous procedure called cluster resolution feature selection. Predictions for crystal structures are quantified by evaluating probabilities. Major results include the discovery of RhCd, the first new binary AB compound to be found in over 15 years, with a CsCl-type structure; the connection between "ambiguous" prediction probabilities and the phenomenon of polymorphism, as illustrated in the case of TiFeP (with TiNiSi- and ZrNiAl-type structures); and the preparation of new predicted Heusler phases MRu 2 Ga and RuM 2 Ga (M = first-row transition metal) that are not obvious candidates. Second, how can the search for materials with desired properties be accelerated? One particular application of strong current interest is thermoelectric materials, which present a particular challenge because their optimum performance depends on achieving a balance of many interrelated physical properties. Making use of a recommendation engine developed by Citrine Informatics, we have identified new candidates for thermoelectric materials, including previously unknown compounds (e.g., TiRu 2 Ga with Heusler structure; Mn(Ru 0.4 Ge 0.6 ) with CsCl-type structure) and previously reported compounds but counterintuitive candidates (e.g., Gd 12 Co 5 Bi). An important lesson in these investigations is that the machine-learning models are only as good as the experimental data used to develop them. Thus, experimental work will continue to be necessary to improve the predictions made by machine learning.

Puncture Self-Healing Polymers for Aerospace Applications

NASA Technical Reports Server (NTRS)

Gordon, Keith L.; Penner, Ronald K.; Bogert, Phil B.; Yost, W. T.; Siochi, Emilie J.

2011-01-01

Space exploration launch costs on the order of $10K per pound provide ample incentive to seek innovative, cost-effective ways to reduce structural mass without sacrificing safety and reliability. Damage-tolerant structural systems can provide a route to avoiding weight penalty while enhancing vehicle safety and reliability. Self-healing polymers capable of spontaneous puncture repair show great promise to mitigate potentially catastrophic damage from events such as micrometeoroid penetration. Effective self-repair requires these materials to heal instantaneously following projectile penetration while retaining structural integrity. Poly(ethylene-co-methacrylic acid) (EMMA), also known as Surlyn is an ionomer-based copolymer that undergoes puncture reversal (self-healing) following high impact puncture at high velocities. However EMMA is not a structural engineering polymer, and will not meet the demands of aerospace applications requiring self-healing engineering materials. Current efforts to identify candidate self-healing polymer materials for structural engineering systems are reported. Rheology, high speed thermography, and high speed video for self-healing semi-crystalline and amorphous polymers will be reported.

Self-Assembled ZnO Nanosheet-Based Spherical Structure as Photoanode in Dye-Sensitized Solar Cells

NASA Astrophysics Data System (ADS)

Ameri, Mohsen; Raoufi, Meysam; Zamani-Meymian, M.-R.; Samavat, Feridoun; Fathollahi, M.-R.; Mohajerani, Ezeddin

2018-03-01

High surface area and enhanced light scattering of ZnO nanosheet aggregates have made them a promising active layer candidate material for fabrication of nanostructure dye-sensitized solar cells. Here, we propose a facile preparation method of such ZnO nanosheet structures, and in order to verify their applicability as photoanode material for dye-sensitized solar cells, we employ morphological, optical, structural and electrical measurements. The results reveal the high surface area available for dye molecules for enhancing adsorption, high light scattering and competitive power conversion efficiencies compared to the works in literature. Finally, the device is optimized with respect to the photoanode thickness. The favorable features shown here can extend the application of the structure to other types of sensitization-based perovskite and quantum dot solar cells.

Computing elastic anisotropy to discover gum-metal-like structural alloys

NASA Astrophysics Data System (ADS)

Winter, I. S.; de Jong, M.; Asta, M.; Chrzan, D. C.

2017-08-01

The computer aided discovery of structural alloys is a burgeoning but still challenging area of research. A primary challenge in the field is to identify computable screening parameters that embody key structural alloy properties. Here, an elastic anisotropy parameter that captures a material's susceptibility to solute solution strengthening is identified. The parameter has many applications in the discovery and optimization of structural materials. As a first example, the parameter is used to identify alloys that might display the super elasticity, super strength, and high ductility of the class of TiNb alloys known as gum metals. In addition, it is noted that the parameter can be used to screen candidate alloys for shape memory response, and potentially aid in the optimization of the mechanical properties of high-entropy alloys.

BMDO materials testing in the EOIM-3 experiment

NASA Technical Reports Server (NTRS)

Chung, Shirley Y.; Brinza, David E.; Minton, Timothy K.; Liang, Ranty H.

1995-01-01

The NASA Evaluation of Oxygen Interactions with Materials-3 (EOIM-3) experiment served as a testbed for a variety of materials that are candidates for Ballistic Missile Defense Organization (BMDO) space assets. The materials evaluated on this flight experiment were provided by BMDO contractors and technology laboratories. A parallel ground-based exposure evaluation was conducted using the Fast Atom Sample Tester (FAST) atomic-oxygen simulation facility at Physical Sciences, Inc. The EOIM-3 flight materials were exposed to an atomic oxygen fluence of approximately 2.3 x 10(exp 20) atoms/sq cm. The ground-based exposure fluence of 2.0 - 2.5 x 10(exp 20) atoms/sq cm permits direct comparison with that of the flight-exposed specimens. The results from the flight test conducted aboard STS-46 and the correlative ground-based exposure are summarized here. A more detailed correlation study is presented in the JPL Publication 93-31 entitled 'Flight-and Ground-Test Correlation Study of BMDO SDS Materials: Phase 1 Report'. In general, the majority of the materials survived the AO environment with their performance tolerances maintained for the duration of the exposure. Optical materials, baffles, and coatings performed extremely well as did most of the thermal coatings and tribological materials. A few of the candidate radiator, threat shielding, and structural materials showed significant degradation. Many of the coatings designed to protect against AO erosion of sensitive materials performed this function well.

Composite materials for precision space reflector panels

NASA Technical Reports Server (NTRS)

Tompkins, Stephen S.; Funk, Joan G.; Bowles, David E.; Towell, Timothy W.; Connell, John W.

1992-01-01

One of the critical technology needs of large precision reflectors for future astrophysical and optical communications satellites lies in the area of structural materials. Results from a materials research and development program at NASA Langley Research Center to provide materials for these reflector applications are discussed. Advanced materials that meet the reflector panel requirements are identified, and thermal, mechanical and durability properties of candidate materials after exposure to simulated space environments are compared. A parabolic, graphite-phenolic honeycomb composite panel having a surface accuracy of 70.8 microinches rms and an areal weight of 1.17 lbm/sq ft was fabricated with T50/ERL1962 facesheets, a PAEI thermoplastic surface film, and Al and SiO(x) coatings.

Design of Perovskite Oxides as Anion-Intercalation-Type Electrodes for Supercapacitors: Cation Leaching Effect.

PubMed

Liu, Yu; Dinh, Jim; Tade, Moses O; Shao, Zongping

2016-09-14

Oxygen ions can be exploited as a charge carrier to effectively realize a new type of anion-intercalation supercapacitor. In this study, to get some useful guidelines for future materials development, we comparatively studied SrCoO3-δ (SC), Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF), and Co3O4 as electrodes in supercapacitors with aqueous alkaline electrolyte. The effect of interaction between the electrode materials with the alkaline solution was focused on the structure and specific surface area of the electrode material, and ultimately the electrochemical performance was emphasized. Both BSCF and SC were found to experience cation leaching in alkaline solution, resulting in an increase in the specific surface area of the material, but overleaching caused the damage of perovskite structure of BSCF. Barium leaching was more serious than strontium, and the cation leaching was component dependent. Although high initial capacitance was achieved for BSCF, it was not a good candidate as intercalation-type electrode for supercapacitor because of poor cycling stability from serious Ba(2+) and Sr(2+) leaching. Instead, SC was a favorable electrode candidate for practical use in supercapacitors due to its high capacity and proper cation leaching capacity, which brought beneficial effect on cycling stability. It is suggested that cation leaching effect should be seriously considered in the development of new perovskite materials as electrodes for supercapacitors.

LUTE primary mirror materials and design study report

NASA Astrophysics Data System (ADS)

Ruthven, Greg

1993-02-01

The major objective of the Lunar Ultraviolet Telescope Experiment (LUTE) Primary Mirror Materials and Design Study is to investigate the feasibility of the LUTE telescope primary mirror. A systematic approach to accomplish this key goal was taken by first understanding the optical, thermal, and structural requirements and then deriving the critical primary mirror-level requirements for ground testing, launch, and lunar operations. After summarizing the results in those requirements which drove the selection of material and the design for the primary mirror are discussed. Most important of these are the optical design which was assumed to be the MSFC baseline (i.e. 3 mirror optical system), telescope wavefront error (WFE) allocations, the telescope weight budget, and the LUTE operational temperature ranges. Mechanical load levels, reflectance and microroughness issues, and options for the LUTE metering structure were discussed and an outline for the LUTE telescope sub-system design specification was initiated. The primary mirror analysis and results are presented. The six material substrate candidates are discussed and four distinct mirror geometries which are considered are shown. With these materials and configurations together with varying the location of the mirror support points, a total of 42 possible primary mirror designs resulted. The polishability of each substrate candidate was investigated and a usage history of 0.5 meter and larger precision cryogenic mirrors (the operational low end LUTE temperature of 60 K is the reason we feel a survey of cryogenic mirrors is appropriate) that were flown or tested are presented.

Nb-Base FS-85 Alloy as a Candidate Structural Material for Space Reactor Applications: Effects of Thermal Aging

NASA Astrophysics Data System (ADS)

Leonard, Keith J.; Busby, Jeremy T.; Hoelzer, David T.; Zinkle, Steven J.

2009-04-01

The proposed uses of fission reactors for manned or deep space missions have typically relied on the potential use of refractory metal alloys as structural materials. Throughout the history of these programs, a leading candidate has been Nb-1Zr, due to its good fabrication and welding characteristics. However, the less-than-optimal creep resistance of this alloy has encouraged interest in the more complex FS-85 (Nb-28Ta-10W-1Zr) alloy. Despite this interest, only a relatively small database exists for the properties of FS-85. Database gaps include the potential microstructural instabilities that can lead to mechanical property degradation. In this work, changes in the microstructure and mechanical properties of FS-85 were investigated following 1100 hours of thermal aging at 1098, 1248, and 1398 K. The changes in electrical resistivity, hardness, and tensile properties between the as-annealed and aged materials are compared. Evaluation of the microstructural changes was performed through optical microscopy (OM), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The development of intragranular and grain-boundary precipitation of Zr-rich compounds as a function of aging temperature was followed. Brittle tensile behavior was measured in the material aged at 1248 K, while ductile behavior occurred in samples aged above and below this temperature. The effect of temperature on the under- and overaging of the grain-boundary particles is believed to have contributed to the mechanical property behavior of the aged materials.

LUTE primary mirror materials and design study report

NASA Technical Reports Server (NTRS)

Ruthven, Greg

1993-01-01

The major objective of the Lunar Ultraviolet Telescope Experiment (LUTE) Primary Mirror Materials and Design Study is to investigate the feasibility of the LUTE telescope primary mirror. A systematic approach to accomplish this key goal was taken by first understanding the optical, thermal, and structural requirements and then deriving the critical primary mirror-level requirements for ground testing, launch, and lunar operations. After summarizing the results in those requirements which drove the selection of material and the design for the primary mirror are discussed. Most important of these are the optical design which was assumed to be the MSFC baseline (i.e. 3 mirror optical system), telescope wavefront error (WFE) allocations, the telescope weight budget, and the LUTE operational temperature ranges. Mechanical load levels, reflectance and microroughness issues, and options for the LUTE metering structure were discussed and an outline for the LUTE telescope sub-system design specification was initiated. The primary mirror analysis and results are presented. The six material substrate candidates are discussed and four distinct mirror geometries which are considered are shown. With these materials and configurations together with varying the location of the mirror support points, a total of 42 possible primary mirror designs resulted. The polishability of each substrate candidate was investigated and a usage history of 0.5 meter and larger precision cryogenic mirrors (the operational low end LUTE temperature of 60 K is the reason we feel a survey of cryogenic mirrors is appropriate) that were flown or tested are presented.

New perspectives on potential hydrogen storage materials using high pressure.

PubMed

Song, Yang

2013-09-21

In addressing the global demand for clean and renewable energy, hydrogen stands out as the most suitable candidate for many fuel applications that require practical and efficient storage of hydrogen. Supplementary to the traditional hydrogen storage methods and materials, the high-pressure technique has emerged as a novel and unique approach to developing new potential hydrogen storage materials. Static compression of materials may result in significant changes in the structures, properties and performance that are important for hydrogen storage applications, and often lead to the formation of unprecedented phases or complexes that have profound implications for hydrogen storage. In this perspective article, 22 types of representative potential hydrogen storage materials that belong to four major classes--simple hydride, complex hydride, chemical hydride and hydrogen containing materials--were reviewed. In particular, their structures, stabilities, and pressure-induced transformations, which were reported in recent experimental works together with supporting theoretical studies, were provided. The important contextual aspects pertinent to hydrogen storage associated with novel structures and transitions were discussed. Finally, the summary of the recent advances reviewed and the insight into the future research in this direction were given.

Design, Progressive Modeling, Manufacture, and Testing of Composite Shield for Turbine Engine Blade Containment

NASA Technical Reports Server (NTRS)

Binienda, Wieslaw K.; Sancaktar, Erol; Roberts, Gary D. (Technical Monitor)

2002-01-01

An effective design methodology was established for composite jet engine containment structures. The methodology included the development of the full and reduced size prototypes, and FEA models of the containment structure, experimental and numerical examination of the modes of failure clue to turbine blade out event, identification of materials and design candidates for future industrial applications, and design and building of prototypes for testing and evaluation purposes.

AGARD standard aeroelastic configurations for dynamic response. Candidate configuration I.-wing 445.6

NASA Technical Reports Server (NTRS)

Yates, E. Carson, Jr.

1987-01-01

To promote the evaluation of existing and emerging unsteady aerodynamic codes and methods for applying them to aeroelastic problems, especially for the transonic range, a limited number of aerodynamic configurations and experimental dynamic response data sets are to be designated by the AGARD Structures and Materials Panel as standards for comparison. This set is a sequel to that established several years ago for comparisons of calculated and measured aerodynamic pressures and forces. This report presents the information needed to perform flutter calculations for the first candidate standard configuration for dynamic response along with the related experimental flutter data.

Phenylethynyl terminated reactive oligomer

NASA Technical Reports Server (NTRS)

Bryant, Robert G. (Inventor); Jensen, Brian J. (Inventor); Hergenrother, Paul M. (Inventor)

1995-01-01

A composition of matter having the general structure: ##STR1## (wherein X is F, Cl, or NO.sub.2, and Y is CO, SO.sub.2 or C(CF.sub.3).sub.2) is employed to terminate a nucleophilic reagent, resulting in the exclusive production of phenylethynyl terminated reactive oligomers which display unique thermal characteristics. A reactive diluent having the general structure: ##STR2## (wherein R is any aliphatic or aromatic moiety) is employed to decrease the melt viscosity of a phenylethynyl terminated reactive oligomer and to subsequently react therewith to provide a thermosetting material of enhanced density. These materials have features which make them attractive candidates for use as composite matrices and adhesives.

Tests Of Protective Coats For Carbon Steel

NASA Technical Reports Server (NTRS)

Macdowell, Louis G., III

1995-01-01

Report describes laboratory and field tests of candidate paints (primers, tie coats, and topcoats) for use in protecting carbon-steel structures against corrosion in seaside environment at Kennedy Space Center. Coating materials selected because of utility in preventing corrosion, also on basis of legal requirements, imposed in several urban areas, for reduction of volatile organic contents.

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

Brandt, Riley E.; Poindexter, Jeremy R.; Gorai, Prashun

Recently, we and others have proposed screening criteria for 'defect-tolerant' photovoltaic (PV) absorbers, identifying several classes of semiconducting compounds with electronic structures similar to those of hybrid lead-halide perovskites. In this work, we reflect on the accuracy and prospects of these new design criteria through a combined experimental and theoretical approach. We construct a model to extract photoluminescence lifetimes of six of these candidate PV absorbers, including four (InI, SbSI, SbSeI, and BiOI) for which time-resolved photoluminescence has not been previously reported. The lifetimes of all six candidate materials exceed 1 ns, a threshold for promising early stage PV devicemore » performance. However, there are variations between these materials, and none achieve lifetimes as high as those of the hybrid lead-halide perovskites, suggesting that the heuristics for defect-tolerant semiconductors are incomplete. Here, we explore this through first-principles point defect calculations and Shockley-Read-Hall recombination models to describe the variation between the measured materials. In light of these insights, we discuss the evolution of screening criteria for defect tolerance and high-performance PV materials.« less

Ab-Initio Calculation of the Magnetic Properties of Metal-Doped Boron-Nitrogen Nanoribbon

NASA Astrophysics Data System (ADS)

Rufinus, J.

2017-10-01

The field of spintronics has been continuously attracting researchers. Tremendous efforts have been made in the quest to find good candidates for future spintronic devices. One particular type of material called graphene is under extensive theoretical study as a feasible component for practical applications. However, pristine graphene is diamagnetic. Thus, a lot of research has been performed to modify the graphene-based structure to achieve meaningful magnetic properties. Recently, a new type of graphene-based one-dimensional material called Boron Nitrogen nanoribbon (BNNR) has been of interest, due to the theoretical predictions that this type of material shows half-metallic property. Here we present the results of the theoretical and computational study of M-doped (M = Cr, Mn) Zigzag BNNR (ZBNNR), the objective of which is to determine whether the presence of these dopants will give rise to ferromagnetism. We have found that the concentration and the atomic distance among the dopants affect the magnetic ordering of this type of material. These results provide a meaningful theoretical prediction of M-doped ZBNNR as a basic candidate of future spintronic devices.

Nuclear Structure in 78Ge

NASA Astrophysics Data System (ADS)

Forney, Anne M.; Walters, W. B.; Sethi, J.; Chiara, C. J.; Harker, J.; Janssens, R. V. F.; Zhu, S.; Carpenter, M.; Alcorta, M.; Gürdal, G.; Hoffman, C. R.; Kay, B. P.; Kondev, F. G.; Lauristen, T.; Lister, C. J.; McCutchan, E. A.; Rogers, A. M.; Seweryniak, D.

2017-01-01

Owing to the importance of the structure of 76Ge in interpreting double β decay studies, the structures of adjacent nuclei have been of considerable interest. Recently reported features for the structures of 72,74,76Ge indicate both shape coexistence and triaxiality. New data for the excited states of 78Ge will be reported arising from Gammasphere studies of multinucleon transfer reactions between a 76Ge beam and thick heavy targets at the ATLAS facility at Argonne National Laboratory. The previously known yrast band is extended to higher spins, candidate levels for a triaxial sequence have been observed, and the associated staggering determined. The staggering in 78Ge found in this work is not in agreement with theoretical work. Candidates for negative-parity states and seniority-four states will be discussed. This material is based upon work supported by the U.S. DOE under DE-AC02-06CH11357 and DE-FG02-94ER40834. Resources of ANL's ATLAS setup, a DOE Office of Science user facility, were used.

Potential countersample materials for in vitro simulation wear testing.

PubMed

Shortall, Adrian C; Hu, Xiao Q; Marquis, Peter M

2002-05-01

Any laboratory investigation of the wear resistance of dental materials needs to consider oral conditions so that in vitro wear results can be correlated with in vivo findings. The choice of the countersample is a critical factor in establishing the pattern of tribological wear and in achieving an efficient in vitro wear testing system. This research investigated the wear behavior and surface characteristics associated with three candidate countersample materials used for in vitro wear testing in order to identify a possible suitable substitute for human dental enamel. Three candidate materials, stainless steel, steatite and dental porcelain were evaluated and compared to human enamel. A variety of factors including hardness, wear surface evolution and frictional coefficients were considered, relative to the tribology of the in vivo situation. The results suggested that the dental porcelain investigated bore the closest similarity to human enamel of the materials investigated. Assessment of potential countersample materials should be based on the essential tribological simulation supported by investigations of mechanical, chemical and structural properties. The selected dental porcelain had the best simulating ability among the three selected countersample materials and this class of material may be considered as a possible countersample material for in vitro wear test purposes. Further studies are required, employing a wider range of dental ceramics, in order to optimise the choice of countersample material for standardized in vitro wear testing.

Topologic connection between 2-D layered structures and 3-D diamond structures for conventional semiconductors

PubMed Central

Wang, Jianwei; Zhang, Yong

2016-01-01

When coming to identify new 2D materials, our intuition would suggest us to look from layered instead of 3D materials. However, since graphite can be hypothetically derived from diamond by stretching it along its [111] axis, many 3D materials can also potentially be explored as new candidates for 2D materials. Using a density functional theory, we perform a systematic study over the common Group IV, III–V, and II–VI semiconductors along different deformation paths to reveal new structures that are topologically connected to but distinctly different from the 3D parent structure. Specifically, we explore two major phase transition paths, originating respectively from wurtzite and NiAs structure, by applying compressive and tensile strain along the symmetry axis, and calculating the total energy changes to search for potential metastable states, as well as phonon spectra to examine the structural stability. Each path is found to further split into two branches under tensile strain–low buckled and high buckled structures, which respectively lead to a low and high buckled monolayer structure. Most promising new layered or planar structures identified include BeO, GaN, and ZnO on the tensile strain side, Ge, Si, and GaP on the compressive strain side. PMID:27090430

Recent research progress on iron- and manganese-based positive electrode materials for rechargeable sodium batteries

PubMed Central

Yabuuchi, Naoaki; Komaba, Shinichi

2014-01-01

Large-scale high-energy batteries with electrode materials made from the Earth-abundant elements are needed to achieve sustainable energy development. On the basis of material abundance, rechargeable sodium batteries with iron- and manganese-based positive electrode materials are the ideal candidates for large-scale batteries. In this review, iron- and manganese-based electrode materials, oxides, phosphates, fluorides, etc, as positive electrodes for rechargeable sodium batteries are reviewed. Iron and manganese compounds with sodium ions provide high structural flexibility. Two layered polymorphs, O3- and P2-type layered structures, show different electrode performance in Na cells related to the different phase transition and sodium migration processes on sodium extraction/insertion. Similar to layered oxides, iron/manganese phosphates and pyrophosphates also provide the different framework structures, which are used as sodium insertion host materials. Electrode performance and reaction mechanisms of the iron- and manganese-based electrode materials in Na cells are described and the similarities and differences with lithium counterparts are also discussed. Together with these results, the possibility of the high-energy battery system with electrode materials made from only Earth-abundant elements is reviewed. PMID:27877694

Recent research progress on iron- and manganese-based positive electrode materials for rechargeable sodium batteries.

PubMed

Yabuuchi, Naoaki; Komaba, Shinichi

2014-08-01

Large-scale high-energy batteries with electrode materials made from the Earth-abundant elements are needed to achieve sustainable energy development. On the basis of material abundance, rechargeable sodium batteries with iron- and manganese-based positive electrode materials are the ideal candidates for large-scale batteries. In this review, iron- and manganese-based electrode materials, oxides, phosphates, fluorides, etc, as positive electrodes for rechargeable sodium batteries are reviewed. Iron and manganese compounds with sodium ions provide high structural flexibility. Two layered polymorphs, O3- and P2-type layered structures, show different electrode performance in Na cells related to the different phase transition and sodium migration processes on sodium extraction/insertion. Similar to layered oxides, iron/manganese phosphates and pyrophosphates also provide the different framework structures, which are used as sodium insertion host materials. Electrode performance and reaction mechanisms of the iron- and manganese-based electrode materials in Na cells are described and the similarities and differences with lithium counterparts are also discussed. Together with these results, the possibility of the high-energy battery system with electrode materials made from only Earth-abundant elements is reviewed.

Evaluation available encapsulation materials for low-cost long-life silicon photovoltaic arrays

NASA Technical Reports Server (NTRS)

Carmichael, D. C.; Gaines, G. B.; Noel, G. T.; Sliemers, F. A.; Nance, G. P.; Bunk, A. R.; Brockway, M. C.

1978-01-01

Experimental evaluation of selected encapsulation designs and materials based on an earlier study which have potential for use in low cost, long-life photovoltaic arrays are reported. The performance of candidate materials and encapsulated cells were evaluated principally for three types of encapsulation designs based on their potentially low materials and processing costs: (1) polymeric coatings, transparent conformal coatings over the cell with a structural-support substrate; (2) polymeric film lamination, cells laminated between two films or sheets of polymeric materials; and (3) glass-covered systems, cells adhesively bonded to a glass cover (superstrate) with a polymeric pottant and a glass or other substrate material. Several other design types, including those utilizing polymer sheet and pottant materials, were also included in the investigation.

Friction Stir Welding of ODS and RAFM Steels

DOE PAGES

Yu, Zhenzhen; Feng, Zhili; Hoelzer, David; ...

2015-09-14

Advanced structural materials such as oxide dispersion strengthened steels and reduced-activation ferritic/martensitic steels are desired in fusion reactors as primary candidate materials for first wall and blanket structures, due to their excellent radiation and high-temperature creep resistance. However, their poor fusion weldability has been the major technical challenge limiting practical applications. For this reason, solid-state friction stir welding (FSW) has been considered for such applications. In this paper, the effect of FSW parameters on joining similar and dissimilar advanced structural steels was investigated. Scanning electron microscopy and electron backscatter diffraction methods were used to reveal the effects of FSW onmore » grain size, micro-texture distribution, and phase stability. Hardness mapping was performed to evaluate mechanical properties. Finally, post weld heat treatment was also performed to tailor the microstructure in the welds in order to match the weld zone mechanical properties to the base material.« less

Bioinspired Bouligand cellulose nanocrystal composites: a review of mechanical properties

NASA Astrophysics Data System (ADS)

Natarajan, Bharath; Gilman, Jeffrey W.

2017-12-01

The twisted plywood, or Bouligand, structure is the most commonly observed microstructural motif in natural materials that possess high mechanical strength and toughness, such as that found in bone and the mantis shrimp dactyl club. These materials are isotropically toughened by a low volume fraction of soft, energy-dissipating polymer and by the Bouligand structure itself, through shear wave filtering and crack twisting, deflection and arrest. Cellulose nanocrystals (CNCs) are excellent candidates for the bottom-up fabrication of these structures, as they naturally self-assemble into `chiral nematic' films when cast from solutions and possess outstanding mechanical properties. In this article, we present a review of the fabrication techniques and the corresponding mechanical properties of Bouligand biomimetic CNC nanocomposites, while drawing comparison to the performance standards set by tough natural composite materials. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

A Review of Tribological Coatings for Control Drive Mechanisms in Space Reactors

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

CJ Larkin; JD Edington; BJ Close

2006-02-21

Tribological coatings must provide lubrication for moving components of the control drive mechanism for a space reactor and prevent seizing due to friction or diffusion welding to provide highly reliable and precise control of reflector position over the mission lifetime. Several coatings were evaluated based on tribological performance at elevated temperatures and in ultrahigh vacuum environments. Candidates with proven performance in the anticipated environment are limited primarily to disulfide materials. Irradiation data for these coatings is nonexistent. Compatibility issues between coating materials and structural components may require the use of barrier layers between the solid lubricant and structural components tomore » prevent deleterious interactions. It would be advisable to consider possible lubricant interactions prior to down-selection of structural materials. A battery of tests was proposed to provide the necessary data for eventual solid lubricant/coating selection.« less

Wormhole Formation in RSRM Nozzle Joint Backfill

NASA Technical Reports Server (NTRS)

Stevens, J.

2000-01-01

The RSRM nozzle uses a barrier of RTV rubber upstream of the nozzle O-ring seals. Post flight inspection of the RSRM nozzle continues to reveal occurrence of "wormholes" into the RTV backfill. The term "wormholes", sometimes called "gas paths", indicates a gas flow path not caused by pre-existing voids, but by a little-understood internal failure mode of the material during motor operation. Fundamental understanding of the mechanics of the RSRM nozzle joints during motor operation, nonlinear viscoelastic characterization of the RTV backfill material, identification of the conditions that predispose the RTV to form wormholes, and screening of candidate replacement materials is being pursued by a joint effort between Thiokol Propulsion, NASA, and the Army Propulsion & Structures Directorate at Redstone Arsenal. The performance of the RTV backfill in the joint is controlled by the joint environment. Joint movement, which applies a tension and shear load on the material, coupled with the introduction of high pressure gas in combination create an environment that exceeds the capability of the material to withstand the wormhole effect. Little data exists to evaluate why the material fails under the modeled joint conditions, so an effort to characterize and evaluate the material under these conditions was undertaken. Viscoelastic property data from characterization testing will anchor structural analysis models. Data over a range of temperatures, environmental pressures, and strain rates was used to develop a nonlinear viscoelastic model to predict material performance, develop criteria for replacement materials, and quantify material properties influencing wormhole growth. Three joint simulation analogs were developed to analyze and validate joint thermal barrier (backfill) material performance. Two exploratory tests focus on detection of wormhole failure under specific motor operating conditions. A "validation" test system provides data to "validate" computer models and predictions. Finally, two candidate replacement materials are being screened and "validated" using the developed test systems.

Postirradiation thermocyclic loading of ferritic-martensitic structural materials

NASA Astrophysics Data System (ADS)

Belyaeva, L.; Orychtchenko, A.; Petersen, C.; Rybin, V.

Thermonuclear fusion reactors of the Tokamak-type will be unique power engineering plants to operate in thermocyclic mode only. Ferritic-martensitic stainless steels are prime candidate structural materials for test blankets of the ITER fusion reactor. Beyond the radiation damage, thermomechanical cyclic loading is considered as the most detrimental lifetime limiting phenomenon for the above structure. With a Russian and a German facility for thermal fatigue testing of neutron irradiated materials a cooperation has been undertaken. Ampule devices to irradiate specimens for postirradiation thermal fatigue tests have been developed by the Russian partner. The irradiation of these ampule devices loaded with specimens of ferritic-martensitic steels, like the European MANET-II, the Russian 05K12N2M and the Japanese Low Activation Material F82H-mod, in a WWR-M-type reactor just started. A description of the irradiation facility, the qualification of the ampule device and the modification of the German thermal fatigue facility will be presented.

Effect of temperature and gap opening rate on the resiliency of candidate solid rocket booster O-ring materials

NASA Technical Reports Server (NTRS)

Lach, Cynthia L.

1992-01-01

In the redesign of the Space Shuttle solid rocket motor following the Challenger accident, the field and nozzle-to-case joints were designed to minimize gap opening caused by internal motor pressurization during ignition. The O-ring seals and glands for these joints were designed both to accommodate structural deflections and to promote pressure assisted sealing. The resiliency behavior of several candidate O-ring materials was evaluated for the effects of temperature and gap opening rates. The performance of three of the elastomeric materials was tested under the specific redesign gap opening requirement. Dynamic flexure conditions unique to launch produce low frequency vibrations in the gap opening. The effect of these vibrations on the ability of the O-ring to maintain contact with the sealing surface was addressed. The resiliency of the O-ring materials was found to be extremely sensitive to variations in temperature and gap opening rate. The top three elastomeric materials tracked the simulated solid rocket booster (SRB) field joint deflection at 75 and 120 F. The external tank/SRB attach strut load vibrations had a negligible effect on the ability of the O-ring to track the simulated SRB field joint deflection.

Searching for “Defect-Tolerant” Photovoltaic Materials: Combined Theoretical and Experimental Screening

DOE PAGES

Brandt, Riley E.; Poindexter, Jeremy R.; Gorai, Prashun; ...

2017-05-09

Recently, we and others have proposed screening criteria for 'defect-tolerant' photovoltaic (PV) absorbers, identifying several classes of semiconducting compounds with electronic structures similar to those of hybrid lead-halide perovskites. In this work, we reflect on the accuracy and prospects of these new design criteria through a combined experimental and theoretical approach. We construct a model to extract photoluminescence lifetimes of six of these candidate PV absorbers, including four (InI, SbSI, SbSeI, and BiOI) for which time-resolved photoluminescence has not been previously reported. The lifetimes of all six candidate materials exceed 1 ns, a threshold for promising early stage PV devicemore » performance. However, there are variations between these materials, and none achieve lifetimes as high as those of the hybrid lead-halide perovskites, suggesting that the heuristics for defect-tolerant semiconductors are incomplete. Here, we explore this through first-principles point defect calculations and Shockley-Read-Hall recombination models to describe the variation between the measured materials. In light of these insights, we discuss the evolution of screening criteria for defect tolerance and high-performance PV materials.« less

77 FR 38395 - Agency Information Collection Activities (Advertising, Sales, and Enrollment Materials, and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-27

... Activities (Advertising, Sales, and Enrollment Materials, and Candidate Handbooks) Under OMB Review AGENCY....'' SUPPLEMENTARY INFORMATION: Title: Advertising, Sales, and Enrollment Materials, and Candidate Handbooks, 38 CFR... such tests, must maintain a complete record of all advertising, sales materials, enrollment materials...

Metallo-supramolecular modules as a paradigm for materials science

PubMed Central

Kurth, Dirk G.

2008-01-01

Metal ion coordination in discrete or extended metallo-supramolecular assemblies offers ample opportunity to fabricate and study devices and materials that are equally important for fundamental research and new technologies. Metal ions embedded in a specific ligand field offer diverse thermodynamic, kinetic, chemical, physical and structural properties that make these systems promising candidates for active components in functional materials. A key challenge is to improve and develop methodologies for placing these active modules in suitable device architectures, such as thin films or mesophases. This review highlights recent developments in extended, polymeric metallo-supramolecular systems and discrete polyoxometalates with an emphasis on materials science. PMID:27877929

Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure

DOE PAGES

Timoshenko, J.; Shivhare, A.; Scott, R. W.; ...

2016-06-30

We adopted ab-initio X-ray Absorption Near Edge Structure (XANES) modelling for structural refinement of local environments around metal impurities in a large variety of materials. Our method enables both direct modelling, where the candidate structures are known, and the inverse modelling, where the unknown structural motifs are deciphered from the experimental spectra. We present also estimates of systematic errors, and their influence on the stability and accuracy of the obtained results. We illustrate our approach by following the evolution of local environment of palladium atoms in palladium-doped gold thiolate clusters upon chemical and thermal treatments.

Temperature-driven topological quantum phase transitions in a phase-change material Ge2Sb2Te5.

PubMed

Eremeev, S V; Rusinov, I P; Echenique, P M; Chulkov, E V

2016-12-13

The Ge 2 Sb 2 Te 5 is a phase-change material widely used in optical memory devices and is a leading candidate for next generation non-volatile random access memory devices which are key elements of various electronics and portable systems. Despite the compound is under intense investigation its electronic structure is currently not fully understood. The present work sheds new light on the electronic structure of the Ge 2 Sb 2 Te 5 crystalline phases. We demonstrate by predicting from first-principles calculations that stable crystal structures of Ge 2 Sb 2 Te 5 possess different topological quantum phases: a topological insulator phase is realized in low-temperature structure and Weyl semimetal phase is a characteristic of the high-temperature structure. Since the structural phase transitions are caused by the temperature the switching between different topologically non-trivial phases can be driven by variation of the temperature. The obtained results reveal the rich physics of the Ge 2 Sb 2 Te 5 compound and open previously unexplored possibility for spintronics applications of this material, substantially expanding its application potential.

Crystal structure and crystal growth of the polar ferrimagnet CaBaFe4O7

NASA Astrophysics Data System (ADS)

Perry, R. S.; Kurebayashi, H.; Gibbs, A.; Gutmann, M. J.

2018-05-01

Magnetic materials are a cornerstone for developing spintronic devices for the transport of information via magnetic excitations. To date, relatively few materials have been investigated for the purpose of spin transport, mostly due to the paucity of suitable candidates as these materials are often chemically complex and difficult to synthesize. We present the crystal growth and a structure solution on the high-temperature crystal structure of the layered, polar ferrimagnet CaBaFe4O7 , which is a possible new contender for spintronics research. The space group is identified as P 3 by refinement of single crystal and powder neutron diffraction data. At 400 K, the trigonal lattice parameters are a =11.0114 (11 )Å and c =10.330 (3 )Å . The structure is similar to the low-temperature phase with alternating layers of triangular and Kagome-arranged Fe-O tetrahedra. We also present details of the crystal growth by traveling solvent method.

Stardust Interstellar Preliminary Examination V: XRF Analyses of Interstellar Dust Candidates at ESRF ID13

NASA Technical Reports Server (NTRS)

Brenker, Frank E.; Westphal, Andrew J.; Simionovici, Alexandre S.; Flynn, George J.; Gainsforth, Zack; Allen, Carlton C.; Sanford, Scott; Zolensky, Michael E.; Bastien, Ron K.; Frank, David R.

2014-01-01

Here, we report analyses by synchrotron X-ray fluorescence microscopy of the elemental composition of eight candidate impact features extracted from the Stardust Interstellar Dust Collector (SIDC). Six of the features were unambiguous tracks, and two were crater-like features. Five of the tracks are so-called midnight tracks that is, they had trajectories consistent with an origin either in the interstellar dust stream or as secondaries from impacts on the Sample Return Capsule (SRC). In a companion paper reporting synchrotron X-ray diffraction analyses of ISPE candidates, we show that two of these particles contain natural crystalline materials: the terminal particle of track 30contains olivine and spinel, and the terminal particle of track 34 contains olivine. Here, we show that the terminal particle of track 30, Orion, shows elemental abundances, normalized to Fe, that are close to CI values, and a complex, fine-grained structure. The terminal particle of track 34, Hylabrook, shows abundances that deviate strongly from CI, but shows little fine structure and is nearly homogenous. The terminal particles of other midnight tracks, 29 and 37, had heavy element abundances below detection threshold. A third, track28, showed a composition inconsistent with an extraterrestrial origin, but also inconsistent with known spacecraft materials. A sixth track, with a trajectory consistent with secondary ejecta from an impact on one of the spacecraft solar panels, contains abundant Ce and Zn. This is consistent with the known composition of the glass covering the solar panel. Neither crater-like feature is likely to be associated with extraterrestrial materials. We also analyzed blank aerogel samples to characterize background and variability between aerogel tiles. We found significant differences in contamination levels and compositions, emphasizing the need for local background subtraction for accurate quantification.

Higher-Order Theory for Functionally Graded Materials

NASA Technical Reports Server (NTRS)

Aboudi, J.; Pindera, M. J.; Arnold, Steven M.

2001-01-01

Functionally graded materials (FGM's) are a new generation of engineered materials wherein the microstructural details are spatially varied through nonuniform distribution of the reinforcement phase(s). Engineers accomplish this by using reinforcements with different properties, sizes, and shapes, as well as by interchanging the roles of the reinforcement and matrix phases in a continuous manner (ref. 1). The result is a microstructure that produces continuously or discretely changing thermal and mechanical properties at the macroscopic or continuum scale. This new concept of engineering the material's microstructure marks the beginning of a revolution both in the materials science and mechanics of materials areas since it allows one, for the first time, to fully integrate the material and structural considerations into the final design of structural components. Functionally graded materials are ideal candidates for applications involving severe thermal gradients, ranging from thermal structures in advanced aircraft and aerospace engines to computer circuit boards. Owing to the many variables that control the design of functionally graded microstructures, full exploitation of the FGM's potential requires the development of appropriate modeling strategies for their response to combined thermomechanical loads. Previously, most computational strategies for the response of FGM's did not explicitly couple the material's heterogeneous microstructure with the structural global analysis. Rather, local effective or macroscopic properties at a given point within the FGM were first obtained through homogenization based on a chosen micromechanics scheme and then subsequently used in a global thermomechanical analysis.

Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material

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

Zhao, Xin; Wang, Cai-Zhuang; Kim, Minsung

Here, Fe-cluster-based crystal structures are predicted for chalcogenides Fe 3X 4 (X = S, Se, Te) using an adaptive genetic algorithm. Topologically different from the well-studied layered structures of iron chalcogenides, the newly predicted structures consist of Fe clusters that are either separated by the chalcogen atoms or connected via sharing of the vertex Fe atoms. Additionally, using first-principles calculations, we demonstrate that these structures have competitive or even lower formation energies than the experimentally synthesized Fe 3X 4 compounds and exhibit interesting magnetic and electronic properties. In particular, we show that Fe 3X 4 can be a good candidatemore » as a rare-earth-free permanent magnet and Fe 3X 4 can be a magnetic nodal-line topological material.« less

Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material

DOE PAGES

Zhao, Xin; Wang, Cai-Zhuang; Kim, Minsung; ...

2017-11-13

Here, Fe-cluster-based crystal structures are predicted for chalcogenides Fe 3X 4 (X = S, Se, Te) using an adaptive genetic algorithm. Topologically different from the well-studied layered structures of iron chalcogenides, the newly predicted structures consist of Fe clusters that are either separated by the chalcogen atoms or connected via sharing of the vertex Fe atoms. Additionally, using first-principles calculations, we demonstrate that these structures have competitive or even lower formation energies than the experimentally synthesized Fe 3X 4 compounds and exhibit interesting magnetic and electronic properties. In particular, we show that Fe 3X 4 can be a good candidatemore » as a rare-earth-free permanent magnet and Fe 3X 4 can be a magnetic nodal-line topological material.« less

Analysis of singular interface stresses in dissimilar material joints for plasma facing components

NASA Astrophysics Data System (ADS)

You, J. H.; Bolt, H.

2001-10-01

Duplex joint structures are typical material combinations for the actively cooled plasma facing components of fusion devices. The structural integrity under the incident heat loads from the plasma is one of the most crucial issues in the technology of these components. The most critical domain in a duplex joint component is the free surface edge of the bond interface between heterogeneous materials. This is due to the fact that the thermal stress usually shows a singular intensification in this region. If the plasma facing armour tile consists of a brittle material, the existence of the stress singularity can be a direct cause of failure. The present work introduces a comprehensive analytical tool to estimate the impact of the stress singularity for duplex PFC design and quantifies the relative stress intensification in various materials joints by use of a model formulated by Munz and Yang. Several candidate material combinations of plasma facing armour and metallic heat sink are analysed and the results are compared with each other.

Recent Progress in Iron-Based Electrode Materials for Grid-Scale Sodium-Ion Batteries.

PubMed

Fang, Yongjin; Chen, Zhongxue; Xiao, Lifen; Ai, Xinping; Cao, Yuliang; Yang, Hanxi

2018-03-01

Grid-scale energy storage batteries with electrode materials made from low-cost, earth-abundant elements are needed to meet the requirements of sustainable energy systems. Sodium-ion batteries (SIBs) with iron-based electrodes offer an attractive combination of low cost, plentiful structural diversity and high stability, making them ideal candidates for grid-scale energy storage systems. Although various iron-based cathode and anode materials have been synthesized and evaluated for sodium storage, further improvements are still required in terms of energy/power density and long cyclic stability for commercialization. In this Review, progress in iron-based electrode materials for SIBs, including oxides, polyanions, ferrocyanides, and sulfides, is briefly summarized. In addition, the reaction mechanisms, electrochemical performance enhancements, structure-composition-performance relationships, merits and drawbacks of iron-based electrode materials for SIBs are discussed. Such iron-based electrode materials will be competitive and attractive electrodes for next-generation energy storage devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computational Modeling of Mixed Solids for CO2 CaptureSorbents

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

Duan, Yuhua

2015-01-01

Since current technologies for capturing CO2 to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO2 reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO2 capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of differentmore » classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO2 sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we apply our screening methodology to mixing solid systems to adjust the turnover temperature to help on developing CO2 capture Technologies.« less

CRISPR/Cas9 Technology-Based Xenograft Tumors as Candidate Reference Materials for Multiple EML4-ALK Rearrangements Testing.

PubMed

Peng, Rongxue; Zhang, Rui; Lin, Guigao; Yang, Xin; Li, Ziyang; Zhang, Kuo; Zhang, Jiawei; Li, Jinming

2017-09-01

The echinoderm microtubule-associated protein-like 4 and anaplastic lymphoma kinase (ALK) receptor tyrosine kinase (EML4-ALK) rearrangement is an important biomarker that plays a pivotal role in therapeutic decision making for non-small-cell lung cancer (NSCLC) patients. Ensuring accuracy and reproducibility of EML4-ALK testing by fluorescence in situ hybridization, immunohistochemistry, RT-PCR, and next-generation sequencing requires reliable reference materials for monitoring assay sensitivity and specificity. Herein, we developed novel reference materials for various kinds of EML4-ALK testing. CRISPR/Cas9 was used to edit various NSCLC cell lines containing EML4-ALK rearrangement variants 1, 2, and 3a/b. After s.c. inoculation, the formalin-fixed, paraffin-embedded (FFPE) samples from xenografts were prepared and tested for suitability as candidate reference materials by fluorescence in situ hybridization, immunohistochemistry, RT-PCR, and next-generation sequencing. Sample validation and commutability assessments showed that all types of FFPE samples derived from xenograft tumors have typical histological structures, and EML4-ALK testing results were similar to the clinical ALK-positive NSCLC specimens. Among the four methods for EML4-ALK detection, the validation test showed 100% concordance. Furthermore, these novel FFPE reference materials showed good stability and homogeneity. Without limitations on variant types and production, our novel FFPE samples based on CRISPR/Cas9 editing and xenografts are suitable as candidate reference materials for the validation, verification, internal quality control, and proficiency testing of EML4-ALK detection. Copyright © 2017 American Society for Investigative Pathology and the Association for Molecular Pathology. Published by Elsevier Inc. All rights reserved.

Screening of High Temperature Organic Materials for Future Stirling Convertors

NASA Technical Reports Server (NTRS)

Shin, Euy-sik E.; Scheiman, Daniel A.

2017-01-01

Along with major advancement of Stirling-based convertors, high temperature organics are needed to develop future higher temperature convertors for much improved efficiencies as well as to improve the margin of reliability for the current SOA (State-of-the-Art) convertors. The higher temperature capabilities would improve robustness of the convertors and also allow them to be used in additional missions, particularly ones that require a Venus flyby for a gravity assist. Various organic materials have been employed as essential components in the convertor for their unique properties and functions such as bonding, potting, sealing, thread locking, insulation, and lubrication. The Stirling convertor radioisotope generators have been developed for potential future space applications including Lunar/Mars surface power or a variety of spacecraft and vehicles, especially with a long mission cycle, sometimes up to 17 years, such as deep space exploration. Thus, performance, durability, and reliability of the organics should be critically evaluated in terms of every possible material structure-process-service environment relations based on the potential mission specifications. The initial efforts in screening the high temperature candidates focused on the most susceptible organics, such as adhesive, potting compound, O-ring, shrink tubing, and thread locker materials in conjunction with commercially available materials. More systematic and practical test methodologies that were developed and optimized based on the extensive organic evaluations and validations performed for various Stirling convertor types were employed to determine thermal stability, outgassing, and material compatibility of the selected organic candidates against their functional requirements. Processing and fabrication conditions and procedures were also optimized. This report presents results of the three-step candidate evaluation processes, their application limitations, and the final selection recommendations.

A hybrid computational-experimental approach for automated crystal structure solution

NASA Astrophysics Data System (ADS)

Meredig, Bryce; Wolverton, C.

2013-02-01

Crystal structure solution from diffraction experiments is one of the most fundamental tasks in materials science, chemistry, physics and geology. Unfortunately, numerous factors render this process labour intensive and error prone. Experimental conditions, such as high pressure or structural metastability, often complicate characterization. Furthermore, many materials of great modern interest, such as batteries and hydrogen storage media, contain light elements such as Li and H that only weakly scatter X-rays. Finally, structural refinements generally require significant human input and intuition, as they rely on good initial guesses for the target structure. To address these many challenges, we demonstrate a new hybrid approach, first-principles-assisted structure solution (FPASS), which combines experimental diffraction data, statistical symmetry information and first-principles-based algorithmic optimization to automatically solve crystal structures. We demonstrate the broad utility of FPASS to clarify four important crystal structure debates: the hydrogen storage candidates MgNH and NH3BH3; Li2O2, relevant to Li-air batteries; and high-pressure silane, SiH4.

Comparison of candidate scaffolds for tissue engineering for stress urinary incontinence and pelvic organ prolapse repair.

PubMed

Mangera, Altaf; Bullock, Anthony J; Roman, Sabiniano; Chapple, Christopher R; MacNeil, Sheila

2013-09-01

To identify candidate materials which have sufficient potential to be taken forward for an in vivo tissue-engineering approach to restoring the tissue structure of the pelvic floor in women with stress urinary incontinence (SUI) or pelvic organ prolapse (POP). Oral mucosal fibroblasts were seeded onto seven different scaffold materials, AlloDerm ( LifeCell Corp., Branchburg, NJ, USA), cadaveric dermis, porcine dermis, polypropylene, sheep forestomach, porcine small intestinal submucosa (SIS) and thermoannealed poly(L) lactic acid (PLA) under both free and restrained conditions. The scaffolds were assessed for: cell attachment using AlamarBlue and 4,6-diamidino-2-phenylindole (DAPI); contraction using serial photographs; and extracellular matrix production using Sirius red staining, immunostaining and scanning electron microscopy. Finally the biomechanical properties of all the scaffolds were assessed. Of the seven, there were two biodegradable scaffolds, synthetic PLA and natural SIS, which supported good cell attachment and proliferation. Immunostaining confirmed the presence of collagen I, III and elastin which was highest in SIS and PLA. The mechanical properties of PLA were closest to native tissue with an ultimate tensile strength of 0.72 ± 0.18 MPa, ultimate tensile strain 0.53 ± 0.16 and Young's modulus 4.5 ± 2.9 MPa. Scaffold restraint did not have a significant impact on the above properties in the best scaffolds. These data support both PLA and SIS as good candidate materials for use in making a tissue-engineered repair material for SUI or POP. © 2013 BJU International.

High-throughput density functional calculations to optimize properties and interfacial chemistry of piezoelectric materials

NASA Astrophysics Data System (ADS)

Barr, Jordan A.; Lin, Fang-Yin; Ashton, Michael; Hennig, Richard G.; Sinnott, Susan B.

2018-02-01

High-throughput density functional theory calculations are conducted to search through 1572 A B O3 compounds to find a potential replacement material for lead zirconate titanate (PZT) that exhibits the same excellent piezoelectric properties as PZT and lacks both its use of the toxic element lead (Pb) and the formation of secondary alloy phases with platinum (Pt) electrodes. The first screening criterion employed a search through the Materials Project database to find A -B combinations that do not form ternary compounds with Pt. The second screening criterion aimed to eliminate potential candidates through first-principles calculations of their electronic structure, in which compounds with a band gap of 0.25 eV or higher were retained. Third, thermodynamic stability calculations were used to compare the candidates in a Pt environment to compounds already calculated to be stable within the Materials Project. Formation energies below or equal to 100 meV/atom were considered to be thermodynamically stable. The fourth screening criterion employed lattice misfit to identify those candidate perovskites that have low misfit with the Pt electrode and high misfit of potential secondary phases that can be formed when Pt alloys with the different A and B components. To aid in the final analysis, dynamic stability calculations were used to determine those perovskites that have dynamic instabilities that favor the ferroelectric distortion. Analysis of the data finds three perovskites warranting further investigation: CsNb O3 , RbNb O3 , and CsTa O3 .

Geopolymers for Structural Ceramic Applications

DTIC Science & Technology

2006-08-31

Applications of geopolymers have included ceramic matrix composites ,ŕ, 3 waste encapsulation 9-11and alternative cements.7,12,14 As adhesives... compositions of the geopolymer adhesive interfaces were studied with scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). Durable...after thermal shock testing. In response, chopped-fiber reinforced geopolymer composites were processed as possible candidate mold materials for casting

Design and Comparative Study of O3/P2 Hybrid Structures for Room Temperature Sodium-Ion Batteries.

PubMed

Qi, Xingguo; Liu, Lilu; Song, Ningning; Gao, Fei; Yang, Kai; Lu, Yaxiang; Yang, Haitao; Hu, Yong-Sheng; Cheng, Zhao-Hua; Chen, Liquan

2017-11-22

Rechargeable sodium-ion batteries have drawn increasing attention as candidates for the post lithium-ion batteries in large-scale energy storage systems. Layered oxides are the most promising cathode materials and their pure phases (e.g., P2, O3) have been widely investigated. Here we report a series of cathode materials with O3/P2 hybrid phase for sodium-ion batteries, which possesses advantages of both P2 and O3 structures. The designed material, Na 0.78 Ni 0.2 Fe 0.38 Mn 0.42 O 2 , can deliver a capacity of 86 mAh g -1 with great rate capability and cycling performance. 66% capacity is still maintained when the current rate reaches as high as 10C, and the capacity retention is 90% after 1500 cycles. Moreover, in situ XRD was performed to examine the structure change during electrochemical testing in different voltage ranges, and the results demonstrate 4 V as the optimized upper voltage limit, with which smaller polarization, better structural stability, and better cycling performance are achieved. The results obtained here provide new insights in designing cathode materials with optimal structure and improved performance for sodium-ion batteries.

Chemical vapor deposition growth

NASA Technical Reports Server (NTRS)

Ruth, R. P.; Manasevit, H. M.; Campbell, A. G.; Johnson, R. E.; Kenty, J. L.; Moudy, L. A.; Shaw, G. L.; Simpson, W. I.; Yang, J. J.

1978-01-01

The objective was to investigate and develop chemical vapor deposition (CVD) techniques for the growth of large areas of Si sheet on inexpensive substrate materials, with resulting sheet properties suitable for fabricating solar cells that would meet the technical goals of the Low Cost Silicon Solar Array Project. The program involved six main technical tasks: (1) modification and test of an existing vertical-chamber CVD reactor system; (2) identification and/or development of suitable inexpensive substrate materials; (3) experimental investigation of CVD process parameters using various candidate substrate materials; (4) preparation of Si sheet samples for various special studies, including solar cell fabrication; (5) evaluation of the properties of the Si sheet material produced by the CVD process; and (6) fabrication and evaluation of experimental solar cell structures, using impurity diffusion and other standard and near-standard processing techniques supplemented late in the program by the in situ CVD growth of n(+)/p/p(+) sheet structures subsequently processed into experimental cells.

Observation of unusual topological surface states in half-Heusler compounds LnPtBi (Ln=Lu, Y)

DOE PAGES

Liu, Z. K.; Yang, L. X.; Wu, S. -C.; ...

2016-09-27

Topological quantum materials represent a new class of matter with both exotic physical phenomena and novel application potentials. Many Heusler compounds, which exhibit rich emergent properties such as unusual magnetism, superconductivity and heavy fermion behaviour, have been predicted to host non-trivial topological electronic structures. The coexistence of topological order and other unusual properties makes Heusler materials ideal platform to search for new topological quantum phases (such as quantum anomalous Hall insulator and topological superconductor). By carrying out angle-resolved photoemission spectroscopy and ab initio calculations on rare-earth half-Heusler compounds LnPtBi (Ln=Lu, Y), we directly observe the unusual topological surface states onmore » these materials, establishing them as first members with non-trivial topological electronic structure in this class of materials. Moreover, as LnPtBi compounds are non-centrosymmetric superconductors, our discovery further highlights them as promising candidates of topological superconductors.« less

Observation of unusual topological surface states in half-Heusler compounds LnPtBi (Ln=Lu, Y)

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

Liu, Z. K.; Yang, L. X.; Wu, S. -C.

Topological quantum materials represent a new class of matter with both exotic physical phenomena and novel application potentials. Many Heusler compounds, which exhibit rich emergent properties such as unusual magnetism, superconductivity and heavy fermion behaviour, have been predicted to host non-trivial topological electronic structures. The coexistence of topological order and other unusual properties makes Heusler materials ideal platform to search for new topological quantum phases (such as quantum anomalous Hall insulator and topological superconductor). By carrying out angle-resolved photoemission spectroscopy and ab initio calculations on rare-earth half-Heusler compounds LnPtBi (Ln=Lu, Y), we directly observe the unusual topological surface states onmore » these materials, establishing them as first members with non-trivial topological electronic structure in this class of materials. Moreover, as LnPtBi compounds are non-centrosymmetric superconductors, our discovery further highlights them as promising candidates of topological superconductors.« less

Evaluation of high temperature structural adhesives for extended service

NASA Technical Reports Server (NTRS)

Hill, S. G.; Peters, P. D.; Hendricks, C. L.

1982-01-01

The evaluation, selection, and demonstration of structural adhesive systems for supersonic cruise research applications, and establishment of environmental durability of selected systems for up to 20,000 hours is described. Ten candidate adhesives were initially evaluated. During screening and evaluation, these candidates were narrowed to three of the most promising for environmental durability testing. The three adhesives were LARC-13, PPQ, and NR056X. The LARC-13 was eliminated because of a lack of stability at 505 K. The NRO56X was removed from the market. The LARC-TPI was added after preliminary evaluation and an abbreviated screening test. Only PPQ and LARC-TPI remained as the reasonable candidates late into the durability testing. Large area bond panels were fabricated to demonstrate the processibility of the selected systems. Specifications were prepared to assure control over critical material and process parameters. Surface characterization concentrated primarily upon titanium surface treatments of 10 volt chronic acid anodize, 5 volt chromic acid anodize and PASA-JELL. Failure analysis was conducted on lap shear adhesive bond failures which occurred in PPQ and LARC-13 test specimens after 10,000 hours at 505 K.

Fire resistivity and toxicity studies of candidate aircraft passenger seat materials

NASA Technical Reports Server (NTRS)

Fewell, L. L.; Trabold, E. L.; Spieth, H.

1978-01-01

Fire resistivity studies were conducted on a wide range of candidate nonmetallic materials being considered for the construction of improved fire resistant aircraft passenger seats. These materials were evaluated on the basis of FAA airworthiness burn and smoke generation tests, colorfastness, limiting oxygen index, and animal toxicity tests. Physical, mechanical, and aesthetic properties were also assessed. Candidate seat materials that have significantly improved thermal response to various thermal loads corresponding to reasonable fire threats as they relate to in-flight fire situations, are identified.

Lightning strike protection of composites

NASA Astrophysics Data System (ADS)

Gagné, Martin; Therriault, Daniel

2014-01-01

Aircraft structures are being redesigned to use fiber-reinforced composites mainly due to their high specific stiffness and strength. One of the main drawbacks from changing from electrically conductive metals to insulating or semi-conducting composites is the higher vulnerability of the aircraft to lightning strike damage. The current protection approach consists of bonding a metal mesh to the surface of the composite structure, but this weight increase negatively impact the fuel efficiency. This review paper presents an overview of the lightning strike problematic, the regulations, the lightning damage to composite, the current protection solutions and other material or technology alternatives. Advanced materials such as polymer-based nanocomposites and carbon nanotube buckypapers are promising candidates for lightweight lightning strike protection technology.

Electrodeposited Ni nanowires-track etched P.E.T. composites as selective solar absorbers

NASA Astrophysics Data System (ADS)

Lukhwa, R.; Sone, B.; Kotsedi, L.; Madjoe, R.; Maaza, M.

2018-05-01

This contribution reports on the structural, optical and morphological properties of nanostructured flexible solar-thermal selective absorber composites for low temperature applications. The candidate material in the system is consisting of electrodeposited nickel nano-cylinders embedded in track-etched polyethylene terephthalate (PET) host membrane of pore sizes ranging between 0.3-0.8µm supported by conductive nickel thin film of about 0.5µm. PET were irradiated with 11MeV/u high charged xenon (Xe) ions at normal incidence. The tubular and metallic structure of the nickel nano-cylinders within the insulator polymeric host forms a typical ceramic-metal nano-composite "Cermet". The produced material was characterized by the following techniques: X-ray diffraction (XRD) for structural characterization to determine preferred crystallographic structure, and grain size of the materials; Scanning electron microscopy (SEM) to determine surface morphology, particle size, and visual imaging of distribution of structures on the surface of the substrate; Atomic force microscopy (AFM) to characterize surface roughness, surface morphology, and film thickness, and UV-Vis-NIR spectrophotometer to measure the reflectance, then to determine solar absorption

Investigation of wetting property between liquid lead lithium alloy and several structural materials for Chinese DEMO reactor

NASA Astrophysics Data System (ADS)

Lu, Wei; Wang, Weihua; Jiang, Haiyan; Zuo, Guizhong; Pan, Baoguo; Xu, Wei; Chu, Delin; Hu, Jiansheng; Qi, Junli

2017-10-01

The dual-cooled lead lithium (PbLi) blanket is considered as one of the main options for the Chinese demonstration reactor (DEMO). Liquid PbLi alloy is used as the breeder material and coolant. Reduced activation ferritic/martensitic (RAFM) steel, stainless steel and the silicon carbide ceramic matrix composite (SiCf) are selected as the substrate materials for different use. To investigate the wetting property and inter-facial interactions of PbLi/RAFM steel, PbLi/SS316L, PbLi/SiC and PbLi/SiCf couples, in this paper, the special vacuum experimental device is built, and the 'dispensed droplet' modification for the classic sessile droplet technique is made. Contact angles are measured between the liquid PbLi and the various candidate materials at blanket working temperature from 260 to 480 °C. X-ray photoelectron spectroscopy (XPS) is used to characterize the surface components of PbLi droplets and substrate materials, in order to study the element trans-port and corrosion mechanism. Results show that SiC composite (SiCf) and SiC ceramic show poor wetting properties with the liquid PbLi alloy. Surface roughness and testing temperature only provide tiny improvements on the wetting property below 480 °C. RAFM steel performs better wetting properties and corrosion residence when contacted with molten PbLi, while SS316L shows low corrosion residence above 420 °C for the decomposition of protective surface film mainly consisted of chromic sesquioxide. The results could provide meaningful compatibility database of liquid PbLi alloy and valuable reference in engineering design of candidate structural and functional materials for future fusion blanket.

Potential of Glassy Carbon and Silicon Carbide Photonic Structures as Electromagnetic Radiation Shields for Atmospheric Re-entry

NASA Technical Reports Server (NTRS)

Komarevskiy,Nikolay; Shklover, Valery; Braginsky, Leonid; Hafner, Christian; Lawson, John W.

2012-01-01

During high-velocity atmospheric entries, space vehicles can be exposed to strong electromagnetic radiation from ionized gas in the shock layer. Glassy carbon (GC) and silicon carbide (SiC) are candidate thermal protection materials due to their high melting point and also their good thermal and mechanical properties. Based on data from shock tube experiments, a significant fraction of radiation at hypersonic entry conditions is in the frequency range from 215 to 415 THz. We propose and analyze SiC and GC photonic structures to increase the reflection of radiation in that range. For this purpose, we performed numerical optimizations of various structures using an evolutionary strategy. Among the considered structures are layered, porous, woodpile, inverse opal and guided-mode resonance structures. In order to estimate the impact of fabrication inaccuracies, the sensitivity of the reflectivity to structural imperfections is analyzed. We estimate that the reflectivity of GC photonic structures is limited to 38% in the aforementioned range, due to material absorption. However, GC material can be effective for photonic reflection of individual, strong spectral line. SiC on the other hand can be used to design a good reflector for the entire frequency range.

Potential of glassy carbon and silicon carbide photonic structures as electromagnetic radiation shields for atmospheric re-entry.

PubMed

Komarevskiy, Nikolay; Shklover, Valery; Braginsky, Leonid; Hafner, Christian; Lawson, John

2012-06-18

During high-velocity atmospheric entries, space vehicles can be exposed to strong electromagnetic radiation from ionized gas in the shock layer. Glassy carbon (GC) and silicon carbide (SiC) are candidate thermal protection materials due to their high melting point and also their good thermal and mechanical properties. Based on data from shock tube experiments, a significant fraction of radiation at hypersonic entry conditions is in the frequency range from 215 to 415 THz. We propose and analyze SiC and GC photonic structures to increase the reflection of radiation in that range. For this purpose, we performed numerical optimizations of various structures using an evolutionary strategy. Among the considered structures are layered, porous, woodpile, inverse opal and guided-mode resonance structures. In order to estimate the impact of fabrication inaccuracies, the sensitivity of the reflectivity to structural imperfections is analyzed. We estimate that the reflectivity of GC photonic structures is limited to 38% in the aforementioned range, due to material absorption. However, GC material can be effective for photonic reflection of individual, strong spectral line. SiC on the other hand can be used to design a good reflector for the entire frequency range.

Intermetallics for Thermal Protection Systems

NASA Astrophysics Data System (ADS)

Marcos, J.

2009-01-01

Future Reusable Launch Vehicles (RLV's) will require improved Thermal Protection Systems (TPS) to achieve the ambitious goal of reducing the cost of delivering a payload to orbit by, at least, an order of magnitude. In this context, metallic materials are good candidates for their use in TPS and hot structures. Up to date, only two major type of materials have been considered and developed in Europe for such type of applications: Oxide Dispersion Strengthened (ODS) and intermetallics (ϒ-TiAl). INASMET, during last years, has been working with the orthorhombic titanium aluminides, whose specific properties are comparable, to those of ODS and ϒ-TiAl materials. The EXPERT mission represents a unique opportunity to test under re-entry conditions this material.

Porous graphene materials for water remediation.

PubMed

Niu, Zhiqiang; Liu, Lili; Zhang, Li; Chen, Xiaodong

2014-09-10

Water remediation has been a critical issue over the past decades due to the expansion of wastewater discharge to the environment. Currently, a variety of functional materials have been successfully prepared for water remediation applications. Among them, graphene is an attractive candidate due to its high specific surface area, tunable surface behavior, and high strength. This Concept paper summarizes the design strategy of porous graphene materials and their applications in water remediation, such as the cleanup of oil, removal of heavy metal ions, and elimination of water soluble organic contaminants. The progress made so far will guide further development in structure design strategy of porous materials based on graphene and exploration of such materials in environmental remediation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds.

PubMed

Mounet, Nicolas; Gibertini, Marco; Schwaller, Philippe; Campi, Davide; Merkys, Andrius; Marrazzo, Antimo; Sohier, Thibault; Castelli, Ivano Eligio; Cepellotti, Andrea; Pizzi, Giovanni; Marzari, Nicola

2018-03-01

Two-dimensional (2D) materials have emerged as promising candidates for next-generation electronic and optoelectronic applications. Yet, only a few dozen 2D materials have been successfully synthesized or exfoliated. Here, we search for 2D materials that can be easily exfoliated from their parent compounds. Starting from 108,423 unique, experimentally known 3D compounds, we identify a subset of 5,619 compounds that appear layered according to robust geometric and bonding criteria. High-throughput calculations using van der Waals density functional theory, validated against experimental structural data and calculated random phase approximation binding energies, further allowed the identification of 1,825 compounds that are either easily or potentially exfoliable. In particular, the subset of 1,036 easily exfoliable cases provides novel structural prototypes and simple ternary compounds as well as a large portfolio of materials to search from for optimal properties. For a subset of 258 compounds, we explore vibrational, electronic, magnetic and topological properties, identifying 56 ferromagnetic and antiferromagnetic systems, including half-metals and half-semiconductors.

Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

NASA Astrophysics Data System (ADS)

Mounet, Nicolas; Gibertini, Marco; Schwaller, Philippe; Campi, Davide; Merkys, Andrius; Marrazzo, Antimo; Sohier, Thibault; Castelli, Ivano Eligio; Cepellotti, Andrea; Pizzi, Giovanni; Marzari, Nicola

2018-02-01

Two-dimensional (2D) materials have emerged as promising candidates for next-generation electronic and optoelectronic applications. Yet, only a few dozen 2D materials have been successfully synthesized or exfoliated. Here, we search for 2D materials that can be easily exfoliated from their parent compounds. Starting from 108,423 unique, experimentally known 3D compounds, we identify a subset of 5,619 compounds that appear layered according to robust geometric and bonding criteria. High-throughput calculations using van der Waals density functional theory, validated against experimental structural data and calculated random phase approximation binding energies, further allowed the identification of 1,825 compounds that are either easily or potentially exfoliable. In particular, the subset of 1,036 easily exfoliable cases provides novel structural prototypes and simple ternary compounds as well as a large portfolio of materials to search from for optimal properties. For a subset of 258 compounds, we explore vibrational, electronic, magnetic and topological properties, identifying 56 ferromagnetic and antiferromagnetic systems, including half-metals and half-semiconductors.

Functional materials discovery using energy-structure-function maps

NASA Astrophysics Data System (ADS)

Pulido, Angeles; Chen, Linjiang; Kaczorowski, Tomasz; Holden, Daniel; Little, Marc A.; Chong, Samantha Y.; Slater, Benjamin J.; McMahon, David P.; Bonillo, Baltasar; Stackhouse, Chloe J.; Stephenson, Andrew; Kane, Christopher M.; Clowes, Rob; Hasell, Tom; Cooper, Andrew I.; Day, Graeme M.

2017-03-01

Molecular crystals cannot be designed in the same manner as macroscopic objects, because they do not assemble according to simple, intuitive rules. Their structures result from the balance of many weak interactions, rather than from the strong and predictable bonding patterns found in metal-organic frameworks and covalent organic frameworks. Hence, design strategies that assume a topology or other structural blueprint will often fail. Here we combine computational crystal structure prediction and property prediction to build energy-structure-function maps that describe the possible structures and properties that are available to a candidate molecule. Using these maps, we identify a highly porous solid, which has the lowest density reported for a molecular crystal so far. Both the structure of the crystal and its physical properties, such as methane storage capacity and guest-molecule selectivity, are predicted using the molecular structure as the only input. More generally, energy-structure-function maps could be used to guide the experimental discovery of materials with any target function that can be calculated from predicted crystal structures, such as electronic structure or mechanical properties.

Functional materials discovery using energy-structure-function maps.

PubMed

Pulido, Angeles; Chen, Linjiang; Kaczorowski, Tomasz; Holden, Daniel; Little, Marc A; Chong, Samantha Y; Slater, Benjamin J; McMahon, David P; Bonillo, Baltasar; Stackhouse, Chloe J; Stephenson, Andrew; Kane, Christopher M; Clowes, Rob; Hasell, Tom; Cooper, Andrew I; Day, Graeme M

2017-03-30

Molecular crystals cannot be designed in the same manner as macroscopic objects, because they do not assemble according to simple, intuitive rules. Their structures result from the balance of many weak interactions, rather than from the strong and predictable bonding patterns found in metal-organic frameworks and covalent organic frameworks. Hence, design strategies that assume a topology or other structural blueprint will often fail. Here we combine computational crystal structure prediction and property prediction to build energy-structure-function maps that describe the possible structures and properties that are available to a candidate molecule. Using these maps, we identify a highly porous solid, which has the lowest density reported for a molecular crystal so far. Both the structure of the crystal and its physical properties, such as methane storage capacity and guest-molecule selectivity, are predicted using the molecular structure as the only input. More generally, energy-structure-function maps could be used to guide the experimental discovery of materials with any target function that can be calculated from predicted crystal structures, such as electronic structure or mechanical properties.

Soluble fullerene derivatives: The effect of electronic structure on transistor performance and air stability

NASA Astrophysics Data System (ADS)

Ball, James M.; Bouwer, Ricardo K. M.; Kooistra, Floris B.; Frost, Jarvist M.; Qi, Yabing; Domingo, Ester Buchaca; Smith, Jeremy; de Leeuw, Dago M.; Hummelen, Jan C.; Nelson, Jenny; Kahn, Antoine; Stingelin, Natalie; Bradley, Donal D. C.; Anthopoulos, Thomas D.

2011-07-01

The family of soluble fullerene derivatives comprises a widely studied group of electron transporting molecules for use in organic electronic and optoelectronic devices. For electronic applications, electron transporting (n-channel) materials are required for implementation into organic complementary logic circuit architectures. To date, few soluble candidate materials have been studied that fulfill the stringent requirements of high carrier mobility and air stability. Here we present a study of three soluble fullerenes with varying electron affinity to assess the impact of electronic structure on device performance and air stability. Through theoretical and experimental analysis of the electronic structure, characterization of thin-film structure, and characterization of transistor device properties we find that the air stability of the present series of fullerenes not only depends on the absolute electron affinity of the semiconductor but also on the disorder within the thin-film.

Prediction of a new graphenelike Si2BN solid

NASA Astrophysics Data System (ADS)

Andriotis, Antonis N.; Richter, Ernst; Menon, Madhu

2016-02-01

While the possibility to create a single-atom-thick two-dimensional layer from any material remains, only a few such structures have been obtained other than graphene and a monolayer of boron nitride. Here, based upon ab initio theoretical simulations, we propose a new stable graphenelike single-atomic-layer Si2BN structure that has all of its atoms with s p2 bonding with no out-of-plane buckling. The structure is found to be metallic with a finite density of states at the Fermi level. This structure can be rolled into nanotubes in a manner similar to graphene. Combining first- and second-row elements in the Periodic Table to form a one-atom-thick material that is also flat opens up the possibility for studying new physics beyond graphene. The presence of Si will make the surface more reactive and therefore a promising candidate for hydrogen storage.

Joint Test Report for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel

NASA Technical Reports Server (NTRS)

Lewis, Pattie

2007-01-01

Headquarters National Aeronautics and Space Administration (NASA) chartered the NASA Acquisition Pollution Prevention (AP2) Office to coordinate agency activities affecting pollution prevention issues identified during system and component acquisition and sustainment processes. The primary objectives of the AP2 Office are to: (1) Reduce or eliminate the use of hazardous materials or hazardous processes at manufacturing, remanufacturing, and sustainment locations. (2) Avoid duplication of effort in actions required to reduce or eliminate hazardous materials through joint center cooperation and technology sharing. The objective of this project was to qualify candidate alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel applications at NASA facilities. This project compares the surface preparation/depainting performance of the proposed alternatives to existing surface preparation/depainting systems or standards. This Joint Test Report (JTR) contains the results of testing as per the outlines of the Joint Test Protocol (JTP), Joint Test Protocol for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel, and the Field Test Plan (FTP), Field Evaluations Test Plan for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel, for critical requirements and tests necessary to qualify alternatives for coating removal systems. These tests were derived from engineering, performance, and operational impact (supportability) requirements defined by a consensus of government and industry participants. This JTR documents the results of the testing as well as any test modifications made during the execution of the project. This JTR is made available as a reference for future pollution prevention endeavors by other NASA Centers, the Department of Defense and commercial users to minimize duplication of effort. The current coating removal processes identified herein are for polyurethane, epoxy and other paint systems applied by conventional wet-spray processes. A table summarizes the target hazardous materials, processes and materials, applications, affected programs, and candidate substrates.

Lightweight evacuated multilayer insulation systems for the space shuttle vehicle

NASA Technical Reports Server (NTRS)

Barclay, D. L.; Bell, J. E.; Zimmerman, D. K.

1973-01-01

The elements in the evacuated multilayer insulation system were investigated, and the major weight contributors for optimization selected. Outgassing tests were conducted on candidate vacuum jacket materials and experiments were conducted to determine the vacuum and structural integrity of selected vacuum jacket configurations. A nondestructive proof test method, applicable to externally pressurized shells, was validated on this program.

Measurement of europium (III)/europium (II) couple in fluoride molten salt for redox control in a molten salt reactor concept

NASA Astrophysics Data System (ADS)

Guo, Shaoqiang; Shay, Nikolas; Wang, Yafei; Zhou, Wentao; Zhang, Jinsuo

2017-12-01

The fluoride molten salt such as FLiNaK and FLiBe is one of the coolant candidates for the next generation nuclear reactor concepts, for example, the fluoride salt cooled high temperature reactor (FHR). For mitigating corrosion of structural materials in molten fluoride salt, the redox condition of the salts needs to be monitored and controlled. This study investigates the feasibility of applying the Eu3+/Eu2+ couple for redox control. Cyclic voltammetry measurements of the Eu3+/Eu2+ couple were able to obtain the concentrations ratio of Eu3+/Eu2+ in the melt. Additionally, the formal standard potential of Eu3+/Eu2+ was characterized over the FHR's operating temperatures allowing for the application of the Nernst equation to establish a Eu3+/Eu2+ concentration ratio below 0.05 to prevent corrosion of candidate structural materials. A platinum quasi-reference electrode with potential calibrated by potassium reduction potential is shown as reliable for the redox potential measurement. These results show that the Eu3+/Eu2+ couple is a feasible redox buffering agent to control the redox condition in molten fluoride salts.

Atomic Oxygen Exposure of Power System and other Spacecraft Materials: Results of the EOIM-3 Experiment

NASA Technical Reports Server (NTRS)

Morton, Thomas L.; Ferguson, Dale C.

1997-01-01

In order to test their reactivity with Atomic Oxygen, twenty five materials were flown on the EOIM-3 (Evaluation of Oxygen Interactions with Materials) portion of the STS-46 Mission. These materials include refractory metals, candidate insulation materials, candidate radiator coatings, and a selection of miscellaneous materials. This report documents the results of the pre- and post-flight analysis of these materials.

Synergistic effects of ultraviolet radiation, thermal cycling and atomic oxygen on altered and coated Kapton surfaces

NASA Technical Reports Server (NTRS)

Dever, Joyce A.; Bruckner, Eric J.; Rodriguez, Elvin

1992-01-01

The photovoltaic (PV) power system for Space Station Freedom (SSF) uses solar array blankets which provide structural support for the solar cells and house the electrical interconnections. In the low earth orbital (LEO) environment where SSF will be located, surfaces will be exposed to potentially damaging environmental conditions including solar ultraviolet (UV) radiation, thermal cycling, and atomic oxygen. It is necessary to use ground based tests to determine how these environmental conditions would affect the mass loss and optical properties of candidate SSF blanket materials. Silicone containing, silicone coated, and SiO(x) coated polyimide film materials were exposed to simulated LEO environmental conditions to determine their durability and whether the environmental conditions of UV, thermal cycling and oxygen atoms act synergistically on these materials. A candidate PV blanket material called AOR Kapton, a polysiloxane polyimide cast from a solution mixture, shows an improvement in durability to oxygen atoms erosion after exposure to UV radiation or thermal cycling combined with UV radiation. This may indicate that the environmental conditions react synergistically with this material, and the damage predicted by exposure to atomic oxygen alone is more severe than that which would occur in LEO where atomic oxygen, thermal cycling and UV radiation are present together.

Synergistic effects of ultraviolet radiation, thermal cycling, and atomic oxygen on altered and coated Kapton surfaces

NASA Technical Reports Server (NTRS)

Dever, Joyce A.; Bruckner, Eric J.; Rodriguez, Elvin

1992-01-01

The photovoltaic (PV) power system for Space Station Freedom (SSF) uses solar array blankets which provide structural support for the solar cells and house the electrical interconnections. In the low Earth orbital (LEO) environment where SSF will be located, surfaces will be exposed to potentially damaging environmental conditions including solar ultraviolet (UV) radiation, thermal cycling, and atomic oxygen. It is necessary to use ground based tests to determine how these environmental conditions would affect the mass loss and optical properties of candidate SSF blanket materials. Silicone containing, silicone coated, and SiO(x) coated polyimide film materials were exposed to simulated LEO environmental conditions to determine there durability and whether the environmental conditions of UV, thermal cycling and oxygen atoms act synergistically on these materials. A candidate PV blanket material called AOR Kapton, a polysiloxane polyimide cast from a solution mixture, shows an improvement in durability to oxygen atoms erosion after exposure to UV radiation or thermal cycling combined with UV radiation. This may indicate that the environmental conditions react synergistically with this material, and the damage predicted by exposure to atomic oxygen alone is more severe than that which would occur in LEO where atomic oxygen, thermal cycling and UV radiation are present together.

Engineering of M13 Bacteriophage for Development of Tissue Engineering Materials.

PubMed

Jin, Hyo-Eon; Lee, Seung-Wuk

2018-01-01

M13 bacteriophages have several qualities that make them attractive candidates as building blocks for tissue regenerating scaffold materials. Through genetic engineering, a high density of functional peptides and proteins can be simultaneously displayed on the M13 bacteriophage's outer coat proteins. The resulting phage can self-assemble into nanofibrous network structures and can guide the tissue morphogenesis through proliferation, differentiation and apoptosis. In this manuscript, we will describe methods to develop major coat-engineered M13 phages as a basic building block and aligned tissue-like matrices to develop regenerative nanomaterials.

Possible 6-qubit NMR quantum computer device material; simulator of the NMR line width

NASA Astrophysics Data System (ADS)

Hashi, K.; Kitazawa, H.; Shimizu, T.; Goto, A.; Eguchi, S.; Ohki, S.

2002-12-01

For an NMR quantum computer, splitting of an NMR spectrum must be larger than a line width. In order to find a best device material for a solid-state NMR quantum computer, we have made a simulation program to calculate the NMR line width due to the nuclear dipole field by the 2nd moment method. The program utilizes the lattice information prepared by commercial software to draw a crystal structure. By applying this program, we can estimate the NMR line width due to the nuclear dipole field without measurements and find a candidate material for a 6-qubit solid-state NMR quantum computer device.

Nanostructured Na2Ti9O19 for Hybrid Sodium-Ion Capacitors with Excellent Rate Capability.

PubMed

Bhat, Swetha S M; Babu, Binson; Feygenson, Mikhail; Neuefeind, Joerg C; Shaijumon, M M

2018-01-10

Herein, we report a new Na-insertion electrode material, Na 2 Ti 9 O 19 , as a potential candidate for Na-ion hybrid capacitors. We study the structural properties of nanostructured Na 2 Ti 9 O 19 , synthesized by a hydrothermal technique, upon electrochemical cycling vs Na. Average and local structures of Na 2 Ti 9 O 19 are elucidated from neutron Rietveld refinement and pair distribution function (PDF), respectively, to investigate the initial discharge and charge events. Rietveld refinement reveals electrochemical cycling of Na 2 Ti 9 O 19 is driven by single-phase solid solution reaction during (de)sodiation without any major structural deterioration, keeping the average structure intact. Unit cell volume and lattice evolution on discharge process is inherently related to TiO 6 distortion and Na ion perturbations, while the PDF reveals the deviation in the local structure after sodiation. Raman spectroscopy and X-ray photoelectron spectroscopy studies further corroborate the average and local structural behavior derived from neutron diffraction measurements. Also, Na 2 Ti 9 O 19 shows excellent Na-ion kinetics with a capacitve nature of 86% at 1.0 mV s -1 , indicating that the material is a good anode candidate for a sodium-ion hybrid capacitor. A full cell hybrid Na-ion capacitor is fabricated by using Na 2 Ti 9 O 19 as anode and activated porous carbon as cathode, which exhibits excellent electrochemical properties, with a maximum energy density of 54 Wh kg -1 and a maximum power density of 5 kW kg -1 . Both structural insights and electrochemical investigation suggest that Na 2 Ti 9 O 19 is a promising negative electrode for sodium-ion batteries and hybrid capacitors.

Thermal control requirements for large space structures

NASA Technical Reports Server (NTRS)

Manoff, M.

1978-01-01

Performance capabilities and weight requirements of large space structure systems will be significantly influenced by thermal response characteristics. Analyses have been performed to determine temperature levels and gradients for structural configurations and elemental concepts proposed for advanced system applications ranging from relatively small, low-power communication antennas to extremely large, high-power Satellite Power Systems (SPS). Results are presented for selected platform configurations, candidate strut elements, and potential mission environments. The analyses also incorporate material and surface optical property variation. The results illustrate many of the thermal problems which may be encountered in the development of three systems.

Porous membrane with high curvature, three-dimensional heat-resistance skeleton: a new and practical separator candidate for high safety lithium ion battery

NASA Astrophysics Data System (ADS)

Shi, Junli; Xia, Yonggao; Yuan, Zhizhang; Hu, Huasheng; Li, Xianfeng; Zhang, Huamin; Liu, Zhaoping

2015-02-01

Separators with high reliability and security are in urgent demand for the advancement of high performance lithium ion batteries. Here, we present a new and practical porous membrane with three-dimension (3D) heat-resistant skeleton and high curvature pore structure as a promising separator candidate to facilitate advances in battery safety and performances beyond those obtained from the conventional separators. The unique material properties combining with the well-developed structural characteristics enable the 3D porous skeleton to own several favorable properties, including superior thermal stability, good wettability with liquid electrolyte, high ion conductivity and internal short-circuit protection function, etc. which give rise to acceptable battery performances. Considering the simply and cost-effective preparation process, the porous membrane is deemed to be an interesting direction for the future lithium ion battery separator.

Porous membrane with high curvature, three-dimensional heat-resistance skeleton: a new and practical separator candidate for high safety lithium ion battery

PubMed Central

Shi, Junli; Xia, Yonggao; Yuan, Zhizhang; Hu, Huasheng; Li, Xianfeng; Zhang, Huamin; Liu, Zhaoping

2015-01-01

Separators with high reliability and security are in urgent demand for the advancement of high performance lithium ion batteries. Here, we present a new and practical porous membrane with three-dimension (3D) heat-resistant skeleton and high curvature pore structure as a promising separator candidate to facilitate advances in battery safety and performances beyond those obtained from the conventional separators. The unique material properties combining with the well-developed structural characteristics enable the 3D porous skeleton to own several favorable properties, including superior thermal stability, good wettability with liquid electrolyte, high ion conductivity and internal short-circuit protection function, etc. which give rise to acceptable battery performances. Considering the simply and cost-effective preparation process, the porous membrane is deemed to be an interesting direction for the future lithium ion battery separator. PMID:25653104

Porous membrane with high curvature, three-dimensional heat-resistance skeleton: a new and practical separator candidate for high safety lithium ion battery.

PubMed

Shi, Junli; Xia, Yonggao; Yuan, Zhizhang; Hu, Huasheng; Li, Xianfeng; Zhang, Huamin; Liu, Zhaoping

2015-02-05

Separators with high reliability and security are in urgent demand for the advancement of high performance lithium ion batteries. Here, we present a new and practical porous membrane with three-dimension (3D) heat-resistant skeleton and high curvature pore structure as a promising separator candidate to facilitate advances in battery safety and performances beyond those obtained from the conventional separators. The unique material properties combining with the well-developed structural characteristics enable the 3D porous skeleton to own several favorable properties, including superior thermal stability, good wettability with liquid electrolyte, high ion conductivity and internal short-circuit protection function, etc. which give rise to acceptable battery performances. Considering the simply and cost-effective preparation process, the porous membrane is deemed to be an interesting direction for the future lithium ion battery separator.

Self-Substitution and the Temperature Effects on the Electrochemical Performance in the High Voltage Cathode System LiMn 1.5+xNi 0.5-xO 4 (x = 0.1)

DOE PAGES

Xu, Yun; Zhao, Mingyang; Khalid, Syed; ...

2017-05-09

The high voltage cathode material, LiMn 1.6Ni 0.4O 4, was prepared by a polymer-assisted method. The novelty of this paper is the substitution of Ni with Mn, which already exists in the crystal structure instead of other isovalent metal ion dopants which would result in capacity loss. The electrochemical performance testing including stability and rate capability was evaluated. The temperature was found to impose a change on the valence and structure of the cathode materials. Specifically, manganese tends to be reduced at a high temperature of 800 °C and leads to structural changes. The manganese substituted LiMn 1.5Ni 0.5O 4more » (LMN) has proved to be a good candidate material for Li-ion battery cathodes displaying good rate capability and capacity retention. Finally, the cathode materials processed at 550 °C showed a stable performance with negligible capacity loss for 400 cycles.« less

Hierarchical Co-based Porous Layered Double Hydroxide Arrays Derived via Alkali Etching for High-performance Supercapacitors

NASA Astrophysics Data System (ADS)

Abushrenta, Nasser; Wu, Xiaochao; Wang, Junnan; Liu, Junfeng; Sun, Xiaoming

2015-08-01

Hierarchical nanoarchitecture and porous structure can both provide advantages for improving the electrochemical performance in energy storage electrodes. Here we report a novel strategy to synthesize new electrode materials, hierarchical Co-based porous layered double hydroxide (PLDH) arrays derived via alkali etching from Co(OH)2@CoAl LDH nanoarrays. This structure not only has the benefits of hierarchical nanoarrays including short ion diffusion path and good charge transport, but also possesses a large contact surface area owing to its porous structure which lead to a high specific capacitance (23.75 F cm-2 or 1734 F g-1 at 5 mA cm-2) and excellent cycling performance (over 85% after 5000 cycles). The enhanced electrode material is a promising candidate for supercapacitors in future application.

Hierarchical Co-based Porous Layered Double Hydroxide Arrays Derived via Alkali Etching for High-performance Supercapacitors

PubMed Central

Abushrenta, Nasser; Wu, Xiaochao; Wang, Junnan; Liu, Junfeng; Sun, Xiaoming

2015-01-01

Hierarchical nanoarchitecture and porous structure can both provide advantages for improving the electrochemical performance in energy storage electrodes. Here we report a novel strategy to synthesize new electrode materials, hierarchical Co-based porous layered double hydroxide (PLDH) arrays derived via alkali etching from Co(OH)2@CoAl LDH nanoarrays. This structure not only has the benefits of hierarchical nanoarrays including short ion diffusion path and good charge transport, but also possesses a large contact surface area owing to its porous structure which lead to a high specific capacitance (23.75 F cm−2 or 1734 F g−1 at 5 mA cm−2) and excellent cycling performance (over 85% after 5000 cycles). The enhanced electrode material is a promising candidate for supercapacitors in future application. PMID:26278334

Effects of Ga substitution on the structural and magnetic properties of half metallic Fe2MnSi Heusler compound

NASA Astrophysics Data System (ADS)

Pedro, S. S.; Caraballo Vivas, R. J.; Andrade, V. M.; Cruz, C.; Paixão, L. S.; Contreras, C.; Costa-Soares, T.; Caldeira, L.; Coelho, A. A.; Carvalho, A. Magnus G.; Rocco, D. L.; Reis, M. S.

2015-01-01

The so-called half-metallic magnets have been proposed as good candidates for spintronic applications due to the feature of exhibiting a hundred percent spin polarization at the Fermi level. Such materials follow the Slater-Pauling rule, which relates the magnetic moment with the valence electrons in the system. In this paper, we study the bulk polycrystalline half-metallic Fe2MnSi Heusler compound replacing Si by Ga to determine how the Ga addition changes the magnetic, the structural, and the half-metal properties of this compound. The material does not follow the Slater-Pauling rule, probably due to a minor structural disorder degree in the system, but a linear dependence on the magnetic transition temperature with the valence electron number points to the half-metallic behavior of this compound.

Structural and Electrical Properties of Lithium-Ion Rechargeable Battery Using the LiFePO4/Carbon Cathode Material.

PubMed

Kim, Young-Sung; Jeoung, Tae-Hoon; Nam, Sung-Pill; Lee, Seung-Hwan; Kim, Jea-Chul; Lee, Sung-Gap

2015-03-01

LiFePO4/C composite powder as cathode material and graphite powder as anode material for Li-ion batteries were synthesized by using the sol-gel method. An electrochemical improvement of LiFePO4 materials has been achieved by adding polyvinyl alcohol as a carbon source into as-prepared materials. The samples were characterized by elemental analysis (EA), X-ray diffraction (XRD), and field emission scanning electron microscopy (FE-EM). The chemical composition of LiFePO4/C powders was in a good agreement with that of the starting solution. The capacity loss after 500 cycles of LiFePO4/C cell is 11.1% in room temperature. These superior electrochemical properties show that LiFePO4/C composite materials are promising candidates as cathode materials.

77 FR 20886 - Proposed Information Collection (Advertising, Sales, and Enrollment Materials, and Candidate...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-06

... information needed to ensure that educational institutions or agents enrollment materials meet VA's guidelines... information technology. Title: Advertising, Sales, and Enrollment Materials, and Candidate Handbooks, 38 CFR... collection. Abstract: VA approved educational institutions offering courses approved for the enrollment of...

Calcium Orthophosphate-Containing Biocomposites and Hybrid Biomaterials for Biomedical Applications

PubMed Central

Dorozhkin, Sergey V.

2015-01-01

The state-of-the-art on calcium orthophosphate (CaPO4)-containing biocomposites and hybrid biomaterials suitable for biomedical applications is presented. Since these types of biomaterials offer many significant and exciting possibilities for hard tissue regeneration, this subject belongs to a rapidly expanding area of biomedical research. Through the successful combinations of the desired properties of matrix materials with those of fillers (in such systems, CaPO4 might play either role), innovative bone graft biomaterials can be designed. Various types of CaPO4-based biocomposites and hybrid biomaterials those are either already in use or being investigated for biomedical applications are extensively discussed. Many different formulations in terms of the material constituents, fabrication technologies, structural and bioactive properties, as well as both in vitro and in vivo characteristics have been already proposed. Among the others, the nano-structurally controlled biocomposites, those containing nanodimensional compounds, biomimetically fabricated formulations with collagen, chitin and/or gelatin, as well as various functionally graded structures seem to be the most promising candidates for clinical applications. The specific advantages of using CaPO4-based biocomposites and hybrid biomaterials in the selected applications are highlighted. As the way from a laboratory to a hospital is a long one and the prospective biomedical candidates have to meet many different necessities, the critical issues and scientific challenges that require further research and development are also examined. PMID:26262645

Impact of neutron irradiation on the structural and optical properties of PVP/gelatin blends doped with dysprosium (III) chloride

NASA Astrophysics Data System (ADS)

Basha, Ahmad Fouad; Basha, Mohammad Ahmad-Fouad

2017-12-01

Polymer composites of a system of Polyvinylpyrrolidone (PVP)/gelatin/DyCl3.6H2O were prepared in three groups that have different concentrations of PVP/gelatin contents to study the effect of neutron irradiation on their structural and optical properties. Results showed that the interaction of neutrons led to various complex phenomena, mainly bond breaking, main chain scission and intermolecular cross-linking. These processes introduced defects inside the material that were responsible for the changes in their optical and structural properties. All the calculated parameters were found to be dependent on the irradiation fluence in a uniform manner that makes these materials excellent candidates in the applications of dosimetry and radiology. Moreover, the sensitivity of the three groups of composites to the irradiation doses was found to be different. The variation in the structure of the composite group that contains the least PVP content was found to be less significant; hence, these materials were more stable against high doses that make them suitable for high radiation dose applications.

Insights into Inverse Materials Design from Phase Transitions in Shape Space

NASA Astrophysics Data System (ADS)

Cersonsky, Rose; van Anders, Greg; Dodd, Paul M.; Glotzer, Sharon C.

In designing new materials for synthesis, the inverse materials design approach posits that, given a structure, we can predict a building block optimized for self- assembly. How does that building block change as pressure is varied to maintain the same crystal structure? We address this question for entropically stabilized colloidal crystals by working in a generalized statistical thermodynamic ensemble where an alchemical potential variable is fixed and its conjugate variable, particle shape, is allowed to fluctuate. We show that there are multiple regions of shape behavior and phase transitions in shape space between these regions. Furthermore, while past literature has looked towards packing arguments for proposing shape-filling candidate building blocks for structure formation, we show that even at very high pressures, a structure will attain lowest free energy by modifying these space-filling shapes. U.S. Army Research Office under Grant Award No. W911NF-10-1-0518, Emerging Frontiers in Research and Innovation Award EFRI-1240264, National Science Foundation Grant Number ACI- 1053575, XSEDE award DMR 140129, Rackham Merit Fellowship Program.

Porous mixed metal oxides: design, formation mechanism, and application in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Wu, Fangfang; Bai, Jing; Feng, Jinkui; Xiong, Shenglin

2015-10-01

The relentless pursuit of new electrode materials for lithium ion batteries (LIBs) has been conducted for decades. Structures with either porous or nanostructure configurations have been confirmed as advantageous candidates for energy storage/conversion applications. The integration of the two features into one structure can provide another chance to improve the electroactivities. Recently, single-phased mixed metal oxides (MMOs) containing different metal cations, in particular, have confirmed high electrochemical activities because of their complex chemical composition, interfacial effects, and the synergic effects of the multiple metal species. In this review, we will focus on recent research advances of MMOs with porous architectures as anode materials in the matter of structural arrangement and compositional manipulation. Moreover, the application of self-supported MMO-based porous structures as LIB anodes is also explained herein. More importantly, investigations on the synthetic system and formation mechanism of porous MMOs will be highlighted. Some future trends for the innovative design of new electrode materials are also discussed in this review. The challenges and prospects will draw many researchers' attention.

Graphene-based two-dimensional Janus materials

NASA Astrophysics Data System (ADS)

Ng, Sze-Wing; Noor, Nuruzzaman; Zheng, Zijian

2018-04-01

Two-dimensional (2D) Janus materials with opposing components and properties on two sides have recently attracted fevered attention from various research fields for use as, for example, oil/water separating membranes, interfacial layers for mass transfer, 2D sensors and actuators. The Janus structure allows for a unidirectional transportation system and programmed response to certain stimuli to be achieved. Graphene, the 2D honeycomb network formed from one atomic layer of carbon atoms, has also received substantial research interest because of its intriguing structure and fascinating properties. The high mechanical strength, flexibility and optical transparency make graphene a unique candidate as a building block of 2D Janus materials through asymmetric modification with different functional groups on the graphene surfaces. This article reviews graphene-based 2D Janus materials, starting with a theoretical understanding of the behavior of Janus graphene. Then, different strategies for fabricating Janus graphene and its derivatives are reviewed in detail according to the chemical strategies of the modification methods. The applications of graphene-based Janus materials are discussed with a specific focus on the Janus structures that lead to bandgap engineering, as well as the construction of a responsive system on graphene.

The effect of strontium and barium doping on perovskite-structured energy materials for photovoltaic applications

NASA Astrophysics Data System (ADS)

Wu, Ming-Chung; Chen, Wei-Cheng; Chan, Shun-Hsiang; Su, Wei-Fang

2018-01-01

Perovskite solar cell is a novel photovoltaic technology with the superior progress in efficiency and the simple solution processes. Develop lead-free or lead-reduced perovskite materials is a significant concern for high-performance perovskite solar cell. Among the alkaline earth metals, the Sr2+ and Ba2+ are suitable for Pb2+ replacement in perovskite film due to fitting Goldschmidt's tolerance factor. In this study, we adopted Ba-doped and Sr-doped perovskite structured materials with different doping levels, including 1.0, 5.0, and 10.0 mol%, to prepare perovskite solar cells. Both Ba-doped and Sr-doped perovskite structured materials have a related tendency in absorption behavior and surface morphology. At 10.0 mol% doping level, the power conversion efficiency (PCE) of Sr-doped perovskite solar cells is only ∼0.5%, but the PCE of Ba-doped perovskite solar cells can be achieved to ∼9.7%. Ba-doped perovskite solar cells showed the acceptable photovoltaic characteristics than Sr-doped perovskite solar cells. Ba dopant can partially replace the amount of lead in the perovskite solar cells, and it could be a potential candidate in the field of lead-free or lead-reduced perovskite energy materials.

Preparation, one- and two-photon properties of carbazole derivatives containing nitrogen heterocyclic ring

NASA Astrophysics Data System (ADS)

Zhang, Yichi; Wang, Ping; Li, Liang; Chen, Zhimin; He, Chunying; Wu, Yiqun

Preparation of recording materials with high two-photon absorption activities is one of the important issues to superhigh- density two-photon absorption (TPA) three-dimensional (3D) optical data storage. In this paper, three new carbazole derivatives containing nitrogen heterocyclic ring with symmetric and asymmetric structures are prepared using ethylene as the π bridge between the carbazole unit and nitrogen heterocyclic ring, namely, 9-butyl-3-(2-(1,8- naphthyridin)vinyl)-carbazole (material 1), 9-butyl-3,6-bis(2-(1,8-naphthyl)vinyl)-carbazole (material 2) and 9-butyl-3,6- bis(2-(quinolin)vinyl)-carbazole (material 3). Their one photon properties including linear absorption spectra, fluorescence emission spectra, and fluorescence quantum yields are studied. The fluorescence excited by 120 fs pulse at 800 nm Ti: sapphire laser operating at 1 kHz repetition rate with different incident powers of 9-butyl-3-(2-(quinolin) vinyl)-carbazole (material 3) was investigated, and two-photon absorption cross-sections has been obtained. It is shown that material 3 containing quinoline rings as electron acceptor with symmetric structure exhibit high two-photon absorption activity. The result implies that material 3 (9-butyl-3-(2-(quinolin) vinyl)-carbazole) is a good candidate as a promising recording material for super-high-density two-photon absorption (TPA) three-dimensional (3D) optical data storage. The influence of chemical structure of the materials on the optical properties is discussed.

Computational screening of organic polymer dielectrics for novel accelerator technologies

DOE PAGES

Pilania, Ghanshyam; Weis, Eric; Walker, Ethan M.; ...

2018-06-18

The use of infrared lasers to power accelerating dielectric structures is a developing area of research. Within this technology, the choice of the dielectric material forming the accelerating structures, such as the photonic band gap (PBG) structures, is dictated by a range of interrelated factors including their dielectric and optical properties, amenability to photo-polymerization, thermochemical stability and other target performance metrics of the particle accelerator. In this direction, electronic structure theory aided computational screening and design of dielectric materials can play a key role in identifying potential candidate materials with the targeted functionalities to guide experimental synthetic efforts. In anmore » attempt to systematically understand the role of chemistry in controlling the electronic structure and dielectric properties of organic polymeric materials, here we employ empirical screening and density functional theory (DFT) computations, as a part of our multi-step hierarchal screening strategy. Our DFT based analysis focused on the bandgap, dielectric permittivity, and frequency-dependent dielectric losses due to lattice absorption as key properties to down-select promising polymer motifs. In addition to the specific application of dielectric laser acceleration, the general methodology presented here is deemed to be valuable in the design of new insulators with an attractive combination of dielectric properties.« less

Functional Polymer Opals and Porous Materials by Shear-Induced Assembly of Tailor-Made Particles.

PubMed

Gallei, Markus

2018-02-01

Photonic band-gap materials attract enormous attention as potential candidates for a steadily increasing variety of applications. Based on the preparation of easily scalable monodisperse colloids, such optically attractive photonic materials can be prepared by an inexpensive and convenient bottom-up process. Artificial polymer opals can be prepared by shear-induced assembly of core/shell particles, yielding reversibly stretch-tunable materials with intriguing structural colors. This feature article highlights recent developments of core/shell particle design and shear-induced opal formation with focus on the combination of hard and soft materials as well as crosslinking strategies. Structure formation of opal materials relies on both the tailored core/shell architecture and the parameters for polymer processing. The emphasis of this feature article is on elucidating the particle design and incorporation of addressable moieties, i.e., stimuli-responsive polymers as well as elaborated crosslinking strategies for the preparation of smart (inverse) opal films, inorganic/organic opals, and ceramic precursors by shear-induced ordering. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cotton-based Cellulose Nanomaterials for Applications in Composites and Electronics

NASA Astrophysics Data System (ADS)

Farahbakhsh, Nasim

A modern society demands development of highly valued and sustainable products via innovative process technologies and utilizing bio-based alternatives for petroleum based materials. Systematic comparative study of nanocellulose particles as a biodegradable and renewable reinforcing agent can help to develop criteria for selecting an appropriate candidate to be incorporated in polymer nanocomposites. Of particular interest has been nanocellulosic materials including cellulose nanocrystal (CNC) and micro/nanofibrilated cellulose (MFC/NFC) which possess a hierarchical structure that permits an ordered structure with unique properties that has served as building blocks for the design of green and novel materials composites for applications in flexible electronics, medicine and composites. Key differences exist in nanocellulosic materials as a result the process by which the material is produced. This research demonstrates the applicability for the use of recycled cotton as promising sustainable material to be utilized as a substrate for electronic application and a reinforcing agent choice that can be produced without any intensive purification process and be applied to synthetic-based polymer nanocomposites in melt-processing. (Abstract shortened by ProQuest.).

Sound absorption of low-temperature reusable surface insulation candidate materials

NASA Technical Reports Server (NTRS)

Johnston, J. D.

1974-01-01

Sound absorption data from tests of four candidate low-temperature reusable surface insulation materials are presented. Limitations on the use of the data are discussed, conclusions concerning the effective absorption of the materials are drawn, and the relative significance to Vibration and Acoustic Test Facility test planning of the absorption of each material is assessed.

Thermal Protection System Aerothermal Screening Tests in HYMETS Facility

NASA Technical Reports Server (NTRS)

Szalai, Christine E.; Beck, Robin A. S.; Gasch, Matthew J.; Alumni, Antonella I.; Chavez-Garcia, Jose F.; Splinter, Scott C.; Gragg, Jeffrey G.; Brewer, Amy

2011-01-01

The Entry, Descent, and Landing (EDL) Technology Development Project has been tasked to develop Thermal Protection System (TPS) materials for insertion into future Mars Entry Systems. A screening arc jet test of seven rigid ablative TPS material candidates was performed in the Hypersonic Materials Environmental Test System (HYMETS) facility at NASA Langley Research Center, in both an air and carbon dioxide test environment. Recession, mass loss, surface temperature, and backface thermal response were measured for each test specimen. All material candidates survived the Mars aerocapture relevant heating condition, and some materials showed a clear increase in recession rate in the carbon dioxide test environment. These test results supported subsequent down-selection of the most promising material candidates for further development.

Space station protective coating development

NASA Technical Reports Server (NTRS)

Pippin, H. G.; Hill, S. G.

1989-01-01

A generic list of Space Station surfaces and candidate material types is provided. Environmental exposures and performance requirements for the different Space Station surfaces are listed. Coating materials and the processing required to produce a viable system, and appropriate environmental simulation test facilities are being developed. Mass loss data from the original version of the atomic oxygen test chamber and the improved facility; additional environmental exposures performed on candidate materials; and materials properties measurements on candidate coatings to determine the effects of the exposures are discussed. Methodologies of production, and coating materials, used to produce the large scale demonstration articles are described. The electronic data base developed for the contract is also described. The test chamber to be used for exposure of materials to atomic oxygen was built.

Efficient linear phase contrast in scanning transmission electron microscopy with matched illumination and detector interferometry

DOE PAGES

Ophus, Colin; Ciston, Jim; Pierce, Jordan; ...

2016-02-29

The ability to image light elements in soft matter at atomic resolution enables unprecedented insight into the structure and properties of molecular heterostructures and beam-sensitive nanomaterials. In this study, we introduce a scanning transmission electron microscopy technique combining a pre-specimen phase plate designed to produce a probe with structured phase with a high-speed direct electron detector to generate nearly linear contrast images with high efficiency. We demonstrate this method by using both experiment and simulation to simultaneously image the atomic-scale structure of weakly scattering amorphous carbon and strongly scattering gold nanoparticles. Our method demonstrates strong contrast for both materials, makingmore » it a promising candidate for structural determination of heterogeneous soft/hard matter samples even at low electron doses comparable to traditional phase-contrast transmission electron microscopy. Ultimately, simulated images demonstrate the extension of this technique to the challenging problem of structural determination of biological material at the surface of inorganic crystals.« less

Efficient linear phase contrast in scanning transmission electron microscopy with matched illumination and detector interferometry.

PubMed

Ophus, Colin; Ciston, Jim; Pierce, Jordan; Harvey, Tyler R; Chess, Jordan; McMorran, Benjamin J; Czarnik, Cory; Rose, Harald H; Ercius, Peter

2016-02-29

The ability to image light elements in soft matter at atomic resolution enables unprecedented insight into the structure and properties of molecular heterostructures and beam-sensitive nanomaterials. In this study, we introduce a scanning transmission electron microscopy technique combining a pre-specimen phase plate designed to produce a probe with structured phase with a high-speed direct electron detector to generate nearly linear contrast images with high efficiency. We demonstrate this method by using both experiment and simulation to simultaneously image the atomic-scale structure of weakly scattering amorphous carbon and strongly scattering gold nanoparticles. Our method demonstrates strong contrast for both materials, making it a promising candidate for structural determination of heterogeneous soft/hard matter samples even at low electron doses comparable to traditional phase-contrast transmission electron microscopy. Simulated images demonstrate the extension of this technique to the challenging problem of structural determination of biological material at the surface of inorganic crystals.

Mechanical Model Development for Composite Structural Supercapacitors

NASA Technical Reports Server (NTRS)

Ricks, Trenton M.; Lacy, Thomas E., Jr.; Santiago, Diana; Bednarcyk, Brett A.

2016-01-01

Novel composite structural supercapacitor concepts have recently been developed as a means both to store electrical charge and to provide modest mechanical load carrying capability. Double-layer composite supercapacitors are often fabricated by impregnating a woven carbon fiber fabric, which serves as the electrodes, with a structural polymer electrolyte. Polypropylene or a glass fabric is often used as the separator material. Recent research has been primarily limited to evaluating these composites experimentally. In this study, mechanical models based on the Multiscale Generalized Method of Cells (MSGMC) were developed and used to calculate the shear and tensile properties and response of two composite structural supercapacitors from the literature. The modeling approach was first validated against traditional composite laminate data. MSGMC models for composite supercapacitors were developed, and accurate elastic shear/tensile properties were obtained. It is envisioned that further development of the models presented in this work will facilitate the design of composite components for aerospace and automotive applications and can be used to screen candidate constituent materials for inclusion in future composite structural supercapacitor concepts.

Efficient linear phase contrast in scanning transmission electron microscopy with matched illumination and detector interferometry

PubMed Central

Ophus, Colin; Ciston, Jim; Pierce, Jordan; Harvey, Tyler R.; Chess, Jordan; McMorran, Benjamin J.; Czarnik, Cory; Rose, Harald H.; Ercius, Peter

2016-01-01

The ability to image light elements in soft matter at atomic resolution enables unprecedented insight into the structure and properties of molecular heterostructures and beam-sensitive nanomaterials. In this study, we introduce a scanning transmission electron microscopy technique combining a pre-specimen phase plate designed to produce a probe with structured phase with a high-speed direct electron detector to generate nearly linear contrast images with high efficiency. We demonstrate this method by using both experiment and simulation to simultaneously image the atomic-scale structure of weakly scattering amorphous carbon and strongly scattering gold nanoparticles. Our method demonstrates strong contrast for both materials, making it a promising candidate for structural determination of heterogeneous soft/hard matter samples even at low electron doses comparable to traditional phase-contrast transmission electron microscopy. Simulated images demonstrate the extension of this technique to the challenging problem of structural determination of biological material at the surface of inorganic crystals. PMID:26923483

Impacts of doping on thermal and thermoelectric properties of nanomaterials.

PubMed

Zhang, Gang; Li, Baowen

2010-07-01

Thermal transport in nanoscale structures has attracted an increasing interest in the last two decades. On the one hand, the low dimensional nanostructured materials are platforms for testing novel phonon transport theories. On the other hand, nanomaterials are promising candidates for nanoscale on-chip coolers. This review is focused on the thermal conductance, thermoelectric property, and impacts of doping on these properties.

Chemical vapor deposition growth

NASA Technical Reports Server (NTRS)

Ruth, R. P.; Manasevit, H. M.; Kenty, J. L.; Moudy, L. A.; Simpson, W. I.; Yang, J. J.

1976-01-01

The chemical vapor deposition (CVD) method for the growth of Si sheet on inexpensive substrate materials is investigated. The objective is to develop CVD techniques for producing large areas of Si sheet on inexpensive substrate materials, with sheet properties suitable for fabricating solar cells meeting the technical goals of the Low Cost Silicon Solar Array Project. Specific areas covered include: (1) modification and test of existing CVD reactor system; (2) identification and/or development of suitable inexpensive substrate materials; (3) experimental investigation of CVD process parameters using various candidate substrate materials; (4) preparation of Si sheet samples for various special studies, including solar cell fabrication; (5) evaluation of the properties of the Si sheet material produced by the CVD process; and (6) fabrication and evaluation of experimental solar cell structures, using standard and near-standard processing techniques.

Recent Applications of 2D Inorganic Nanosheets for Emerging Energy Storage System.

PubMed

Oh, Seung Mi; Patil, Sharad B; Jin, Xiaoyan; Hwang, Seong-Ju

2018-04-03

Among many types of nanostructured inorganic materials, highly anisotropic 2D nanosheets provide unique advantages in designing and synthesizing efficient electrode and electrocatalyst materials for novel energy storage technologies. 2D inorganic nanosheets boast lots of unique characteristics such as high surface area, short ion diffusion path, tailorable compositions, and tunable electronic structures. These merits of 2D inorganic nanosheets render them promising candidate materials as electrodes for diverse secondary batteries and supercapacitors, and electrocatalysts. A wide spectrum of examples is presented for inorganic nanosheet-based electrodes and electrocatalysts. Future perspectives in research about 2D nanosheet-based functional materials are discussed to provide insight for the development of next-generation energy storage systems using 2D nanostructured materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Semiconductor Metal-Organic Frameworks: Future Low-Bandgap Materials.

PubMed

Usman, Muhammad; Mendiratta, Shruti; Lu, Kuang-Lieh

2017-02-01

Metal-organic frameworks (MOFs) with low density, high porosity, and easy tunability of functionality and structural properties, represent potential candidates for use as semiconductor materials. The rapid development of the semiconductor industry and the continuous miniaturization of feature sizes of integrated circuits toward the nanometer (nm) scale require novel semiconductor materials instead of traditional materials like silicon, germanium, and gallium arsenide etc. MOFs with advantageous properties of both the inorganic and the organic components promise to serve as the next generation of semiconductor materials for the microelectronics industry with the potential to be extremely stable, cheap, and mechanically flexible. Here, a perspective of recent research is provided, regarding the semiconducting properties of MOFs, bandgap studies, and their potential in microelectronic devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Down-selection of candidate alloys for further testing of advanced replacement materials for LWR core internals

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

Was, Gary; Leonard, Keith J.; Tan, Lizhen

Life extension of the existing nuclear reactors imposes irradiation of high fluences to structural materials, resulting in significant challenges to the traditional reactor materials such as type 304 and 316 stainless steels. Advanced alloys with superior radiation resistance will increase safety margins, design flexibility, and economics for not only the life extension of the existing fleet but also new builds with advanced reactor designs. The Electric Power Research Institute (EPRI) teamed up with Department of Energy (DOE) Light Water Reactor Sustainability Program to initiate the Advanced Radiation Resistant Materials (ARRM) program, aiming to identify and develop advanced alloys with superiormore » degradation resistance in light water reactor (LWR)-relevant environments by 2024.« less

Fracture Characteristics of Monolayer CVD-Graphene

PubMed Central

Hwangbo, Yun; Lee, Choong-Kwang; Kim, Sang-Min; Kim, Jae-Hyun; Kim, Kwang-Seop; Jang, Bongkyun; Lee, Hak-Joo; Lee, Seoung-Ki; Kim, Seong-Su; Ahn, Jong-Hyun; Lee, Seung-Mo

2014-01-01

We have observed and analyzed the fracture characteristics of the monolayer CVD-graphene using pressure bulge testing setup. The monolayer CVD-graphene has appeared to undergo environmentally assisted subcritical crack growth in room condition, i.e. stress corrosion cracking arising from the adsorption of water vapor on the graphene and the subsequent chemical reactions. The crack propagation in graphene has appeared to be able to be reasonably tamed by adjusting applied humidity and stress. The fracture toughness, describing the ability of a material containing inherent flaws to resist catastrophic failure, of the CVD-graphene has turned out to be exceptionally high, as compared to other carbon based 3D materials. These results imply that the CVD-graphene could be an ideal candidate as a structural material notwithstanding environmental susceptibility. In addition, the measurements reported here suggest that specific non-continuum fracture behaviors occurring in 2D monoatomic structures can be macroscopically well visualized and characterized. PMID:24657996

Effect Of Gravity On Porous Tricalcium Phosphate And Nonstoichiometric Titanium Carbide Produced Via Combustion Synthesis

NASA Technical Reports Server (NTRS)

Castillo, M.; Moore, J. J.; Schowengerdt, F. D.; Ayers, R. A.

2003-01-01

Novel processing techniques, such as self-propagating high temperature synthesis (SHS), have the capability to rapidly produce advanced porous materials that are difficult to fabricate by other methods. This processing technique is also capable of near net shape synthesis, while variable gravity allows the manipulation of the structure and composition of the material. The creation of porous tricalcium phosphate (TCP) is advantageous in the biomaterials field, since it is both a biocompatible material and an osteoconductive material. Porous tricalcium phosphate produced via SHS is an excellent candidate for bone scaffold material in the bone regeneration process. The porosity allows for great vascularization and ingrowth of tissue. Titanium Carbide is a nonstoichiometric biocompatible material that can be incorporated into a TiC-Ti composite system using combustion synthesis. The TiC-Ti composite exhibits a wide range of mechanical and chemical properties. Both of these material systems (TCP and TiC-Ti) can be used to advantage in designing novel bone replacement materials. Gravity plays an important role in both the pore structure and the chemical uniformity of these composite systems and offers considerable potential in advanced bone engineering.

Certification of biological candidates reference materials by neutron activation analysis

NASA Astrophysics Data System (ADS)

Kabanov, Denis V.; Nesterova, Yulia V.; Merkulov, Viktor G.

2018-03-01

The paper gives the results of interlaboratory certification of new biological candidate reference materials by neutron activation analysis recommended by the Institute of Nuclear Chemistry and Technology (Warsaw, Poland). The correctness and accuracy of the applied method was statistically estimated for the determination of trace elements in candidate reference materials. The procedure of irradiation in the reactor thermal fuel assembly without formation of fast neutrons was carried out. It excluded formation of interfering isotopes leading to false results. The concentration of more than 20 elements (e.g., Ba, Br, Ca, Co, Ce, Cr, Cs, Eu, Fe, Hf, La, Lu, Rb, Sb, Sc, Ta, Th, Tb, Yb, U, Zn) in candidate references of tobacco leaves and bottom sediment compared to certified reference materials were determined. It was shown that the average error of the applied method did not exceed 10%.

Degradable and porous Fe-Mn-C alloy for biomaterials candidate

NASA Astrophysics Data System (ADS)

Pratesa, Yudha; Harjanto, Sri; Larasati, Almira; Suharno, Bambang; Ariati, Myrna

2018-02-01

Nowadays, degradable implants attract attention to be developed because it can improve the quality of life of patients. The degradable implant is expected to degrade easily in the body until the bone healing process already achieved. However, there is limited material that could be used as a degradable implant, polymer, magnesium, and iron. In the previous study, Fe-Mn-C alloys had succesfully produced austenitic phase. However, the weakness of the alloy is degradation rate of materials was considered below the expectation. This study aimed to produce porous Fe-Mn-C materials to improve degradation rate and reduce the density of alloy without losing it non-magnetic properties. Potassium carbonate (K2CO3) were chosen as filler material to produce foam structure by sintering and dissolution process. Multisteps sintering process under argon gas environment was performed to generate austenite phase. The product showed an increment of the degradation rate of the foamed Fe-Mn-C alloy compared with the solid Fe-Mn-C alloy without losing the Austenitic Structure

Multifunctional Stiff Carbon Foam Derived from Bread.

PubMed

Yuan, Ye; Ding, Yujie; Wang, Chunhui; Xu, Fan; Lin, Zaishan; Qin, Yuyang; Li, Ying; Yang, Minglong; He, Xiaodong; Peng, Qingyu; Li, Yibin

2016-07-06

The creation of stiff yet multifunctional three-dimensional porous carbon architecture at very low cost is still challenging. In this work, lightweight and stiff carbon foam (CF) with adjustable pore structure was prepared by using flour as the basic element via a simple fermentation and carbonization process. The compressive strength of CF exhibits a high value of 3.6 MPa whereas its density is 0.29 g/cm(3) (compressive modulus can be 121 MPa). The electromagnetic interference (EMI) shielding effectiveness measurements (specific EMI shielding effectiveness can be 78.18 dB·cm(3)·g(-1)) indicate that CF can be used as lightweight, effective shielding material. Unlike ordinary foam structure materials, the low thermal conductivity (lowest is 0.06 W/m·K) with high resistance to fire makes CF a good candidate for commercial thermal insulation material. These results demonstrate a promising method to fabricate an economical, robust carbon material for applications in industry as well as topics regarding environmental protection and improvement of energy efficiency.

NERVA irradiation program. GTR 23, volume 1: Combined effects of reactor radiation and cryogenic temperature on NERVA structural materials

NASA Technical Reports Server (NTRS)

Mcdaniel, R. H.; Bradford, E. W.; Lewis, J. H.; Wattier, J. B.

1973-01-01

Specimens fabricated from structural materials that were candidates for certain NERVA applications were irradiated in liquid nitrogen (LN2), liquid hydrogen (LH2), water, and air. The specimens irradiated in LN2 were stored in LN2 and finally tested in LN2, or at some higher temperature in a few instances. The specimens irradiated in LH2 underwent an unplanned warmup while in storage so this portion of the test was lost; some specimens were tested in LN2 but none were tested in LH2. The Ground Test Reactor was the radiation source. The test specimens consisted mainly of tensile and fracture toughness specimens of several different materials, but other types of specimens such as tear, flexure, springs, and lubricant were also irradiated. Materials tested include Hastelloy X, Al, Ni steel, steel, Be, ZrC, Ti-6Al-4V, CuB, and Ti-5Al-2.5Sn.

Coatings could protect composites from hostile space environment

NASA Technical Reports Server (NTRS)

Whitaker, Ann F.

1991-01-01

An experiment has been conducted on about 100 different material/process combinations, most of which were candidates for use in solar arrays having high power-to-weight ratios. These substances were exposed to the LEO environment during Long-Duration Exposure Facility Experiment A0171 in order to evaluate the synergistic effects of the LEO environment on the materials' mechanical, electrical, and optical properties. Materials evaluated include solar cells, cover slips having antireflectance coatings, adhesives, encapsulants, reflective materials, mast and harness materials, structural composites, and thermal control thin films. About one-sixth of the experiment tray was devoted to composite-material tensile specimens, which were specifically to be studied for changes in their mechanical properties. Preliminary results of the surface-damage evaluation are presented. These surface effects are dominated by atomic-oxygen erosion and micrometeoroid/space debris impacts.

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

Varga, Tamas

Despite the fact that all chemical bonds expand on heating, a small class of materials shrinks when heated. These, so called negative thermal expansion (NTE) materials, are a unique class of materials with some exotic properties. The present chapter offers insight into the structural aspects of pressure- (or temperature-) induced phase transformations, and the energetics of those changes in these fascinating materials, in particular NTE compound cubic ZrW2O8, orthorhombic Sc2W3O12 and Sc2Mo3O12, as well as other members of the 'scandium tungstate family'. In subsequent sections, (i) combined in situ high-pressure synchrotron XRD and XAS studies of NTE material ZrW2O8; (ii)more » an in situ high-pressure synchrotron XRD study of Sc2W3O12, Sc2Mo3O12, and Al2W3O12; and (iii) thermochemical studies of the above materials are presented and discussed. In all of these studies, chemical bonds change, sometimes break and new ones form. Correlations between structure, chemistry, and energetics are revealed. It is also shown that (iv) NTE materials are good candidates as precursors to make novel solid state materials, such as the conducting Sc0.67WO4, using high-pressure, high-temperature synthesis, through modification of bonding and electronic structure, and thus provide vast opportunities for scientific exploration.« less

Cryogenic thermal conductivity measurements on candidate materials for space missions

NASA Astrophysics Data System (ADS)

Tuttle, James; Canavan, Edgar; Jahromi, Amir

2017-12-01

Spacecraft and instruments on space missions are built using a wide variety of carefully-chosen materials. It is common for NASA engineers to propose new candidate materials which have not been totally characterized at cryogenic temperatures. In many cases a material's cryogenic thermal conductivity must be known before selecting it for a specific space-flight application. We developed a test facility in 2004 at NASA's Goddard Space Flight Center to measure the longitudinal thermal conductivity of materials at temperatures between 4 and 300 K, and we have characterized many candidate materials since then. The measurement technique is not extremely complex, but proper care to details of the setup, data acquisition and data reduction is necessary for high precision and accuracy. We describe the thermal conductivity measurement process and present results for ten engineered materials, including alloys, polymers, composites, and a ceramic.

Transient Structures and Possible Limits of Data Recording in Phase-Change Materials.

PubMed

Hu, Jianbo; Vanacore, Giovanni M; Yang, Zhe; Miao, Xiangshui; Zewail, Ahmed H

2015-07-28

Phase-change materials (PCMs) represent the leading candidates for universal data storage devices, which exploit the large difference in the physical properties of their transitional lattice structures. On a nanoscale, it is fundamental to determine their performance, which is ultimately controlled by the speed limit of transformation among the different structures involved. Here, we report observation with atomic-scale resolution of transient structures of nanofilms of crystalline germanium telluride, a prototypical PCM, using ultrafast electron crystallography. A nonthermal transformation from the initial rhombohedral phase to the cubic structure was found to occur in 12 ps. On a much longer time scale, hundreds of picoseconds, equilibrium heating of the nanofilm is reached, driving the system toward amorphization, provided that high excitation energy is invoked. These results elucidate the elementary steps defining the structural pathway in the transformation of crystalline-to-amorphous phase transitions and describe the essential atomic motions involved when driven by an ultrafast excitation. The establishment of the time scales of the different transient structures, as reported here, permits determination of the possible limit of performance, which is crucial for high-speed recording applications of PCMs.

Oxygen electrodes for rechargeable alkaline fuel cells

NASA Technical Reports Server (NTRS)

Swette, Larry; Giner, Jose

1987-01-01

Electrocatalysts and supports for the positive electrode of moderate temperature single unit rechargeable alkaline fuel cells were investigated and developed. The electrocatalysts are defined as the material with a higher activity for the oxygen electrode reaction than the support. Advanced development will require that the materials be prepared in high surface area forms, and may also entail integration of various candidate materials. Eight candidate support materials and seven electrocatalysts were investigated. Of the 8 support, 3 materials meet the preliminary requirements in terms of electrical conductivity and stability. Emphasis is now on preparing in high surface area form and testing under more severe corrosion stress conditions. Of the 7 electrocatalysts prepared and evaluated, at least 5 materials remain as potential candidates. The major emphasis remains on preparation, physical characterization and electrochemical performance testing.

Toughening and functionalization of bioactive ceramic and glass bone scaffolds by biopolymer coatings and infiltration: a review of the last 5 years.

PubMed

Philippart, Anahí; Boccaccini, Aldo R; Fleck, Claudia; Schubert, Dirk W; Roether, Judith A

2015-01-01

Inorganic scaffolds with high interconnected porosity based on bioactive glasses and ceramics are prime candidates for applications in bone tissue engineering. These materials however exhibit relatively low fracture strength and high brittleness. A simple and effective approach to improve the toughness is to combine the basic scaffold structure with polymer coatings or through the formation of interpenetrating polymer-bioactive ceramic microstructures. The polymeric phase can additionally serve as a carrier for growth factors and therapeutic drugs, thus adding biological functionalities. The present paper reviews the state-of-the art in the field of polymer coated and infiltrated bioactive inorganic scaffolds. Based on the notable combination of bioactivity, improved mechanical properties and drug or growth factor delivery capability, this scaffold type is a candidate for bone and osteochondral regeneration strategies. Remaining challenges for the improvement of the materials are discussed and opportunities to broaden the application potential of this scaffold type are also highlighted.

Extremely Large Magnetoresistance in a Topological Semimetal Candidate Pyrite PtBi2

NASA Astrophysics Data System (ADS)

Gao, Wenshuai; Hao, Ningning; Zheng, Fa-Wei; Ning, Wei; Wu, Min; Zhu, Xiangde; Zheng, Guolin; Zhang, Jinglei; Lu, Jianwei; Zhang, Hongwei; Xi, Chuanying; Yang, Jiyong; Du, Haifeng; Zhang, Ping; Zhang, Yuheng; Tian, Mingliang

2017-06-01

While pyrite-type PtBi2 with a face-centered cubic structure has been predicted to be a three-dimensional (3D) Dirac semimetal, experimental study of its physical properties remains absent. Here we report the angular-dependent magnetoresistance measurements of a PtBi2 single crystal under high magnetic fields. We observed extremely large unsaturated magnetoresistance (XMR) up to (11.2 ×106)% at T =1.8 K in a magnetic field of 33 T, which is comparable to the previously reported Dirac materials, such as WTe2 , LaSb, and NbP. The crystals exhibit an ultrahigh mobility and significant Shubnikov-de Hass quantum oscillations with a nontrivial Berry phase. The analysis of Hall resistivity indicates that the XMR can be ascribed to the nearly compensated electron and hole. Our experimental results associated with the ab initio calculations suggest that pyrite PtBi2 is a topological semimetal candidate that might provide a platform for exploring topological materials with XMR in noble metal alloys.

Theoretical calculating the thermodynamic properties of solid sorbents for CO{sub 2} capture applications

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

Duan, Yuhua

2012-11-02

Since current technologies for capturing CO{sub 2} to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO{sub 2} reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO{sub 2} capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO{sub 2} sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculatedmore » thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO{sub 2} adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO{sub 2} capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO{sub 2} sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO{sub 2} capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we first introduce our screening methodology and the results on a testing set of solids with known thermodynamic properties to validate our methodology. Then, by applying our computational method to several different kinds of solid systems, we demonstrate that our methodology can predict the useful information to help developing CO{sub 2} capture Technologies.« less

Prediction of a new class of half-metallic ferromagnets from first principles [A new class of half-metallic ferromagnets from first principles

DOE PAGES

Griffin, Sinead M.; Neaton, Jeffrey B.

2017-09-12

Half-metallic ferromagnetism (HMFM) occurs rarely in materials and yet offers great potential for spintronic devices. Recent experiments suggest a class of compounds with the `ThCrmore » $$_{2}$$Si$$_{2}$$' (122) structure -- isostructural and containing elements common with Fe pnictide-based superconductors -- can exhibit HMFM. Here we use $ab$ $initio$ density-functional theory calculations to understand the onset of half-metallicity in this family of materials and explain the appearance of ferromagnetism at a quantum critical point. We also predict new candidate materials with HMFM and high Curie temperatures through A-site alloying.« less

Long Duration Hot Hydrogen Exposure of Nuclear Thermal Rocket Materials

NASA Technical Reports Server (NTRS)

Litchford, Ron J.; Foote, John P.; Hickman, Robert; Dobson, Chris; Clifton, Scooter

2007-01-01

An arc-heater driven hyper-thermal convective environments simulator was recently developed and commissioned for long duration hot hydrogen exposure of nuclear thermal rocket materials. This newly established non-nuclear testing capability uses a high-power, multi-gas, wall-stabilized constricted arc-heater to .produce high-temperature pressurized hydrogen flows representative of nuclear reactor core environments, excepting radiation effects, and is intended to serve as a low cost test facility for the purpose of investigating and characterizing candidate fuel/structural materials and improving associated processing/fabrication techniques. Design and engineering development efforts are fully summarized, and facility operating characteristics are reported as determined from a series of baseline performance mapping runs and long duration capability demonstration tests.

Robust ferroelectricity in two-dimensional SbN and BiP.

PubMed

Liu, Chang; Wan, Wenhui; Ma, Jie; Guo, Wei; Yao, Yugui

2018-05-03

Based on first-principles calculations, we discover two new two-dimensional (2D) ferroelectric materials SbN and BiP. Both of them are stable in a phosphorene-like structure and maintain their ferroelectricity above room temperature. Till date, SbN has the largest in-plane spontaneous polarization of about 7.81 × 10-10 C m-1 ever found in 2D ferroelectric materials, and it can retain its ferroelectricity until melting at about 1700 K. The spontaneous polarizations and switching barriers can easily be tuned by strains. Additionally, the ferroelectricity can still be maintained in their multilayers. These advantages make SbN and BiP promising candidate materials for future integrated ferroelectric devices.

Long-term thermal stability of nanoclusters in ODS-Eurofer steel: An atom probe tomography study

NASA Astrophysics Data System (ADS)

Zilnyk, K. D.; Pradeep, K. G.; Choi, P.; Sandim, H. R. Z.; Raabe, D.

2017-08-01

Oxide-dispersion strengthened materials are important candidates for several high-temperature structural applications in advanced nuclear power plants. Most of the desirable mechanical properties presented by these materials are due to the dispersion of stable nanoparticles in the matrix. Samples of ODS-Eurofer steel were annealed for 4320 h (6 months) at 800 °C. The material was characterized using atom probe tomography in both conditions (prior and after heat treatment). The particles number density, size distribution, and chemical compositions were determined. No significant changes were observed between the two conditions indicating a high thermal stability of the Y-rich nanoparticles at 800 °C.

Performance degradation mechanisms and modes in terrestrial photovoltaic arrays and technology for their diagnosis

NASA Technical Reports Server (NTRS)

Noel, G. T.; Sliemers, F. A.; Derringer, G. C.; Wood, V. E.; Wilkes, K. E.; Gaines, G. B.; Carmichael, D. C.

1978-01-01

Accelerated life-prediction test methodologies have been developed for the validation of a 20-year service life for low-cost photovoltaic arrays. Array failure modes, relevant materials property changes, and primary degradation mechanisms are discussed as a prerequisite to identifying suitable measurement techniques and instruments. Measurements must provide sufficient confidence to permit selection among alternative designs and materials and to stimulate widespread deployment of such arrays. Furthermore, the diversity of candidate materials and designs, and the variety of potential environmental stress combinations, degradation mechanisms and failure modes require that combinations of measurement techniques be identified which are suitable for the characterization of various encapsulation system-cell structure-environment combinations.

Evaluation of Candidate Materials for a High-Temperature Stirling Convertor Heater Head

NASA Technical Reports Server (NTRS)

Bowman, Randy; Ritzert, Frank; Freedman, Marc

2003-01-01

The Department of Energy (DOE) and NASA have identified Stirling Radioisotope Generators (SRG) as a candidate power system for use on long-duration, deep-space science missions and Mars rovers. One of the developments planned for an upgraded version of the current SRG design is to achieve higher efficiency by increasing the overall operating temperature of the system. Currently, the SRG operates with a heater head temperature of 650 C and is fabricated from the nickel base superalloy 718. This temperature is at the limit of Alloy 718's capability, and any planned increase in temperature will be contingent on identifying a more capable material from which to fabricate the heater head. To this end, an assessment of material candidates was performed assuming a range of heater head temperatures. The chosen alternative material candidates will be discussed, along with the development efforts needed to ensure that these materials can meet the demanding system requirements of long-duration operation in hostile environments.

Effects of Ga substitution on the structural and magnetic properties of half metallic Fe{sub 2}MnSi Heusler compound

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

Pedro, S. S., E-mail: sandrapedro@uerj.br; Caraballo Vivas, R. J.; Andrade, V. M.

2015-01-07

The so-called half-metallic magnets have been proposed as good candidates for spintronic applications due to the feature of exhibiting a hundred percent spin polarization at the Fermi level. Such materials follow the Slater-Pauling rule, which relates the magnetic moment with the valence electrons in the system. In this paper, we study the bulk polycrystalline half-metallic Fe{sub 2}MnSi Heusler compound replacing Si by Ga to determine how the Ga addition changes the magnetic, the structural, and the half-metal properties of this compound. The material does not follow the Slater-Pauling rule, probably due to a minor structural disorder degree in the system,more » but a linear dependence on the magnetic transition temperature with the valence electron number points to the half-metallic behavior of this compound.« less

Spin texture of the surface state of three-dimensional Dirac material Ca3PbO

NASA Astrophysics Data System (ADS)

Kariyado, Toshikaze

2015-04-01

The bulk and surface electronic structures of a candidate three-dimensional Dirac material Ca3PbO and its family are discussed especially focusing on the spin texture on the surface states. We first explain the basic features of the bulk band structure of Ca3PbO, such as emergence of Dirac fermions near the Fermi energy, and compare it with the other known three-dimensional Dirac semimetals. Then, the surface bands and spin-texture on them are investigated in detail. It is shown that the surface bands exhibit strong momentum-spin locking, which may be useful in some application for spin manipulation, induced by a combination of the inversion symmetry breaking at the surface and the strong spin-orbit coupling of Pb atoms. The surface band structure and the spin-textures are sensitive to the surface types.

Electron Radiation Effects on Candidate Solar Sail Material

NASA Technical Reports Server (NTRS)

Edwards, David L.; Hollerman, William A.; Hubbs, Whitney S.; Gray, Perry A.; Wertz, George E.; Hoppe, David T.; Nehls, Mary K.; Semmel, Charles L.

2003-01-01

Solar sailing is a unique form of propulsion where a spacecraft gains momentum from incident photons. Solar sails are not limited by reaction mass and provide continual acceleration, reduced only by the lifetime of the lightweight film in the space environment and the distance to the Sun. Once thought to be difficult or impossible, solar sailing has come out of science fiction and into the realm of possibility. Any spacecraft using this propulsion method would need to deploy a thin sail that could be as large as many kilometers in extent. The availability of strong, ultra lightweight, and radiation resistant materials will determine the future of solar sailing. The National Aeronautics and Space Administration's (NASA) Marshall Space Flight Center (MSFC) is concentrating research into the utilization of ultra lightweight materials for spacecraft propulsion. The Space Environmental Effects Team at MSFC is actively characterizing candidate solar sail material to evaluate the thermo-optical and mechanical properties after exposure to space environmental effects. This paper will describe the irradiation of candidate solar sail materials to energetic electrons, in vacuum, to determine the hardness of several candidate sail materials.

May quasicrystals be good thermoelectric materials?

NASA Astrophysics Data System (ADS)

Maciá, Enrique

2000-11-01

We present a theoretical analysis of quasicrystals (QCs) as potential thermoelectric materials. We consider a self-similar density of states model and extend the framework introduced in [G. D. Mahan and J. O. Sofo, Proc. Natl. Acad. Sci. U.S.A. 93, 7436 (1996)] to systems exhibiting correlated features in their electronic structure. We show that relatively high values of the thermoelectric figure of merit, ranging from 0.01 up to 1.6 at room temperature, may be expected for these systems. We compare our results with available experimental data on transport properties of QCs and suggest some potential candidates for thermoelectric applications.

Status of the irradiation test vehicle for testing fusion materials in the Advanced Test Reactor

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

Tsai, H.; Gomes, I.C.; Smith, D.L.

1998-09-01

The design of the irradiation test vehicle (ITV) for the Advanced Test Reactor (ATR) has been completed. The main application for the ITV is irradiation testing of candidate fusion structural materials, including vanadium-base alloys, silicon carbide composites, and low-activation steels. Construction of the vehicle is underway at the Lockheed Martin Idaho Technology Company (LMITCO). Dummy test trains are being built for system checkout and fine-tuning. Reactor insertion of the ITV with the dummy test trains is scheduled for fall 1998. Barring unexpected difficulties, the ITV will be available for experiments in early 1999.

A study on the utilization of advanced composites in commercial aircraft wing structure

NASA Technical Reports Server (NTRS)

Watts, D. J.

1978-01-01

A study was conducted to define the technology and data needed to support the introduction of advanced composite materials in the wing structure of future production aircraft. The study accomplished the following: (1) definition of acceptance factors, (2) identification of technology issues, (3) evaluation of six candidate wing structures, (4) evaluation of five program options, (5) definition of a composite wing technology development plan, (6) identification of full-scale tests, (7) estimation of program costs for the total development plan, (8) forecast of future utilization of composites in commercial transport aircraft and (9) identification of critical technologies for timely program planning.

Thermal Structure Analysis of SIRCA Tile for X-34 Wing Leading Edge TPS

NASA Technical Reports Server (NTRS)

Milos, Frank S.; Squire, Thomas H.; Rasky, Daniel J. (Technical Monitor)

1997-01-01

This paper will describe in detail thermal/structural analyses of SIRCA tiles which were performed at NASA Ames under the The Tile Analysis Task of the X-34 Program. The analyses used the COSMOS/M finite element software to simulate the material response in arc-jet tests, mechanical deflection tests, and the performance of candidate designs for the TPS system. Purposes of the analysis were to verify thermal and structural models for the SIRCA tiles, to establish failure criteria for stressed tiles, to simulate the TPS response under flight aerothermal and mechanical load, and to confirm that adequate safety margins exist for the actual TPS design.

An investigation of manganese based electrode materials for use in lithium ion batteries

NASA Astrophysics Data System (ADS)

Sengupta, Surajit

Lithium-based batteries are potential candidates to provide maximum volumetric and gravimetric energy density. One of the most attractive candidates as a cathode material for secondary lithium ion battery systems is the spinel LiMn 2O4 because it is environmentally friendly, less expensive and is capable of providing high energy density as compared to other cathode materials that are currently available. One problem associated with the spinel structure is capacity fading during multiple cycles of charge and discharge operations. This behaviour is due in part to the structural distortion during deep charge and discharge where nearly 100% of the lithium is extracted and inserted inside the spinel structure. Capacity fading can also be caused by dissolution of manganese ions in the electrolyte phase. A solution based method has been adapted for the synthesis of lithium manganese oxide, and chromium and cobalt doped mixed oxide materials using polyvinyl alcohol (PVA) as a chelating agent. It has been found from TGA/DSC analysis that at around 220°C the synthesis reaction is completed. The precursor powders obtained were annealed at different temperatures and times in the range of 250°C to 600°C and from 2 to 8 hours respectively to obtain pure spinel oxides. From X-ray analysis it has been observed that the crystallite size can be controlled in the range of approximately 6 nm to 32 nm depending on the annealing time and the temperature. The morphology of the synthesized materials consisted of submicron sized particles agglomerated with micropores inside the network structure. To observe the effect of physical properties on battery performance cyclic chronopotentiometric evaluation was conducted. It has been found with these synthesized materials that there is an increase in the 1st discharge capacity with an increase in the annealing time and the temperature at both 1C and C/5 rates. This increase is more significant when the annealing temperature is 600°C as compared to that at 250°C. This implies that an increase in particle size may improve the initial discharge capacity. It was observed that at the discharge rate of 1C, the material annealed at 600°C for 8 hours showed the best performance with respect to an average initial discharge capacity, energy density and capacity retention. However, it was found that the initial discharge capacity, the energy density and the capacity retention are poor for highly crystalline, micron sized lithium manganese oxide cathode material. (Abstract shortened by UMI.)

A New Tribological Test for Candidate Brush Seal Materials Evaluation

NASA Technical Reports Server (NTRS)

Fellenstein, James A.; Dellacorte, Christopher

1994-01-01

A new tribological test for candidate brush seal materials evaluation has been developed. The sliding contact between the brush seal wires and their mating counterface journal is simulated by testing a small tuft of wire against the outside diameter of a high speed rotating shaft. The test configuration is similar to a standard block on ring geometry. The new tester provides the capability to measure both the friction and wear of candidate wire and counterface materials under controlled loading conditions in the gram to kilogram range. A wide test condition latitude of speeds (1 to 27 m/s), temperatures (25 to 700 C), and loads (0.5 to 10 N) enables the simulation of many of the important tribological parameters found in turbine engine brush seals. This paper describes the new test rig and specimen configuration and presents initial data for candidate seal materials comparing tuft test results and wear surface morphology to field tested seal components.

3D Printed Silicones with Shape Memory

DOE PAGES

Wu, Amanda S.; Small IV, Ward; Bryson, Taylor M.; ...

2017-07-05

Direct ink writing enables the layer-by-layer manufacture of ordered, porous structures whose mechanical behavior is driven by architecture and material properties. Here, we incorporate two different gas filled microsphere pore formers to evaluate the effect of shell stiffness and T g on compressive behavior and compression set in siloxane matrix printed structures. The lower T g microsphere structures exhibit substantial compression set when heated near and above T g, with full structural recovery upon reheating without constraint. By contrast, the higher T g microsphere structures exhibit reduced compression set with no recovery upon reheating. Aside from their role in tuningmore » the mechanical behavior of direct ink write structures, polymer microspheres are good candidates for shape memory elastomers requiring structural complexity, with potential applications toward tandem shape memory polymers.« less

3D Printed Silicones with Shape Memory

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

Wu, Amanda S.; Small IV, Ward; Bryson, Taylor M.

Direct ink writing enables the layer-by-layer manufacture of ordered, porous structures whose mechanical behavior is driven by architecture and material properties. Here, we incorporate two different gas filled microsphere pore formers to evaluate the effect of shell stiffness and T g on compressive behavior and compression set in siloxane matrix printed structures. The lower T g microsphere structures exhibit substantial compression set when heated near and above T g, with full structural recovery upon reheating without constraint. By contrast, the higher T g microsphere structures exhibit reduced compression set with no recovery upon reheating. Aside from their role in tuningmore » the mechanical behavior of direct ink write structures, polymer microspheres are good candidates for shape memory elastomers requiring structural complexity, with potential applications toward tandem shape memory polymers.« less

Impact Properties of Metal Fan Containment Materials Being Evaluated for the High-Speed Civil Transport (HSCT)

NASA Technical Reports Server (NTRS)

1996-01-01

Under the Enabling Propulsion Materials (EPM) program - a partnership between NASA, Pratt & Whitney, and GE Aircraft Engines - the Materials and Structures Divisions of the NASA Lewis Research Center are involved in developing a fan-containment system for the High-Speed Civil Transport (HSCT). The program calls for a baseline system to be designed by the end of 1995, with subsequent testing of innovative concepts. Five metal candidate materials are currently being evaluated for the baseline system in the Structures Division's Ballistic Impact Facility. This facility was developed to provide the EPM program with cost-efficient and timely impact test data. At the facility, material specimens are impacted at speeds up to 350 m/sec by projectiles of various sizes and shapes to assess the specimens' ability to absorb energy and withstand impact. The tests can be conducted at either room or elevated temperatures. Posttest metallographic analysis is conducted to improve understanding of the failure modes. A dynamic finite element program is used to simulate the events and both guide the testing as well as aid in designing the fan-containment system.

Multifunctional composites for energy storage

NASA Astrophysics Data System (ADS)

Shuvo, Mohammad Arif I.; Karim, Hasanul; Rajib, Md; Delfin, Diego; Lin, Yirong

2014-03-01

Electrochemical super-capacitors have become one of the most important topics in both academia and industry as novel energy storage devices because of their high power density, long life cycles, and high charge/discharge efficiency. Recently, there has been an increasing interest in the development of multifunctional structural energy storage devices such as structural super-capacitors for applications in aerospace, automobiles and portable electronics. These multifunctional structural super-capacitors provide lighter structures combining energy storage and load bearing functionalities. Due to their superior materials properties, carbon fiber composites have been widely used in structural applications for aerospace and automotive industries. Besides, carbon fiber has good electrical conductivity which will provide lower equivalent series resistance; therefore, it can be an excellent candidate for structural energy storage applications. Hence, this paper is focused on performing a pilot study for using nanowire/carbon fiber hybrids as building materials for structural energy storage materials; aiming at enhancing the charge/discharge rate and energy density. This hybrid material combines the high specific surface area of carbon fiber and pseudo-capacitive effect of metal oxide nanowires which were grown hydrothermally in an aligned fashion on carbon fibers. The aligned nanowire array could provide a higher specific surface area that leads to high electrode-electrolyte contact area and fast ion diffusion rates. Scanning Electron Microscopy (SEM) and XRay Diffraction (XRD) measurements were used for the initial characterization of this nanowire/carbon fiber hybrid material system. Electrochemical testing has been performed using a potentio-galvanostat. The results show that gold sputtered nanowire hybrid carbon fiber provides 65.9% better performance than bare carbon fiber cloth as super-capacitor.

Bioresponsive Materials for Drug Delivery Based on Carboxymethyl Chitosan/Poly(γ-Glutamic Acid) Composite Microparticles

PubMed Central

Yan, Xiaoting; Tong, Zongrui; Chen, Yu; Mo, Yanghe; Feng, Huaiyu; Li, Peng; Qu, Xiaosai; Jin, Shaohua

2017-01-01

Carboxymethyl chitosan (CMCS) microparticles are a potential candidate for hemostatic wound dressing. However, its low swelling property limits its hemostatic performance. Poly(γ-glutamic acid) (PGA) is a natural polymer with excellent hydrophilicity. In the current study, a novel CMCS/PGA composite microparticles with a dual-network structure was prepared by the emulsification/internal gelation method. The structure and thermal stability of the composite were determined by Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), and thermogravimetric analysis (TGA). The effects of preparation conditions on the swelling behavior of the composite were investigated. The results indicate that the swelling property of CMCS/PGA composite microparticles is pH sensitive. Levofloxacin (LFX) was immobilized in the composite microparticles as a model drug to evaluate the drug delivery performance of the composite. The release kinetics of LFX from the composite microparticles with different structures was determined. The results suggest that the CMCS/PGA composite microparticles are an excellent candidate carrier for drug delivery. PMID:28452963

Nanowire modified carbon fibers for enhanced electrical energy storage

NASA Astrophysics Data System (ADS)

Shuvo, Mohammad Arif Ishtiaque; (Bill) Tseng, Tzu-Liang; Ashiqur Rahaman Khan, Md.; Karim, Hasanul; Morton, Philip; Delfin, Diego; Lin, Yirong

2013-09-01

The study of electrochemical super-capacitors has become one of the most attractive topics in both academia and industry as energy storage devices because of their high power density, long life cycles, and high charge/discharge efficiency. Recently, there has been increasing interest in the development of multifunctional structural energy storage devices such as structural super-capacitors for applications in aerospace, automobiles, and portable electronics. These multifunctional structural super-capacitors provide structures combining energy storage and load bearing functionalities, leading to material systems with reduced volume and/or weight. Due to their superior materials properties, carbon fiber composites have been widely used in structural applications for aerospace and automotive industries. Besides, carbon fiber has good electrical conductivity which will provide lower equivalent series resistance; therefore, it can be an excellent candidate for structural energy storage applications. Hence, this paper is focused on performing a pilot study for using nanowire/carbon fiber hybrids as building materials for structural energy storage materials; aiming at enhancing the charge/discharge rate and energy density. This hybrid material combines the high specific surface area of carbon fiber and pseudo-capacitive effect of metal oxide nanowires, which were grown hydrothermally in an aligned fashion on carbon fibers. The aligned nanowire array could provide a higher specific surface area that leads to high electrode-electrolyte contact area thus fast ion diffusion rates. Scanning Electron Microscopy and X-Ray Diffraction measurements are used for the initial characterization of this nanowire/carbon fiber hybrid material system. Electrochemical testing is performed using a potentio-galvanostat. The results show that gold sputtered nanowire carbon fiber hybrid provides 65.9% higher energy density than bare carbon fiber cloth as super-capacitor.

SiP monolayers: New 2D structures of group IV-V compounds for visible-light photohydrolytic catalysts

NASA Astrophysics Data System (ADS)

Ma, Zhinan; Zhuang, Jibin; Zhang, Xu; Zhou, Zhen

2018-06-01

Because of graphene and phosphorene, two-dimensional (2D) layered materials of group IV and group V elements arouse great interest. However, group IV-V monolayers have not received due attention. In this work, three types of SiP monolayers were computationally designed to explore their electronic structure and optical properties. Computations confirm the stability of these monolayers, which are all indirect-bandgap semiconductors with bandgaps in the range 1.38-2.21 eV. The bandgaps straddle the redox potentials of water at pH = 0, indicating the potential of the monolayers for use as watersplitting photocatalysts. The computed optical properties demonstrate that certain monolayers of SiP 2D materials are absorbers of visible light and would serve as good candidates for optoelectronic devices.

Ultrafast Pulse Generation in an Organic Nanoparticle-Array Laser.

PubMed

Daskalakis, Konstantinos S; Väkeväinen, Aaro I; Martikainen, Jani-Petri; Hakala, Tommi K; Törmä, Päivi

2018-04-11

Nanoscale coherent light sources offer potentially ultrafast modulation speeds, which could be utilized for novel sensors and optical switches. Plasmonic periodic structures combined with organic gain materials have emerged as promising candidates for such nanolasers. Their plasmonic component provides high intensity and ultrafast nanoscale-confined electric fields, while organic gain materials offer fabrication flexibility and a low acquisition cost. Despite reports on lasing in plasmonic arrays, lasing dynamics in these structures have not been experimentally studied yet. Here we demonstrate, for the first time, an organic dye nanoparticle-array laser with more than a 100 GHz modulation bandwidth. We show that the lasing modulation speed can be tuned by the array parameters. Accelerated dynamics is observed for plasmonic lasing modes at the blue side of the dye emission.

Conversion Reaction-Based Oxide Nanomaterials for Lithium Ion Battery Anodes.

PubMed

Yu, Seung-Ho; Lee, Soo Hong; Lee, Dong Jun; Sung, Yung-Eun; Hyeon, Taeghwan

2016-04-27

Developing high-energy-density electrodes for lithium ion batteries (LIBs) is of primary importance to meet the challenges in electronics and automobile industries in the near future. Conversion reaction-based transition metal oxides are attractive candidates for LIB anodes because of their high theoretical capacities. This review summarizes recent advances on the development of nanostructured transition metal oxides for use in lithium ion battery anodes based on conversion reactions. The oxide materials covered in this review include oxides of iron, manganese, cobalt, copper, nickel, molybdenum, zinc, ruthenium, chromium, and tungsten, and mixed metal oxides. Various kinds of nanostructured materials including nanowires, nanosheets, hollow structures, porous structures, and oxide/carbon nanocomposites are discussed in terms of their LIB anode applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multi-Functional Sandwich Composites for Spacecraft Applications: An Initial Assessment

NASA Technical Reports Server (NTRS)

Adams, Daniel O.; Webb, Nicholas Jason; Yarger, Cody B.; Hunter, Abigail; Oborn, Kelli D.

2007-01-01

Current spacecraft implement relatively uncoupled material and structural systems to address a variety of design requirements, including structural integrity, damage tolerance, radiation protection, debris shielding and thermal insulation. This investigation provided an initial assessment of multi-functional sandwich composites to integrate these diverse requirements. The need for radiation shielding was addressed through the selection of polymeric constituents with high hydrogen content. To provide increased damage tolerance and debris shielding, manufacturing techniques were developed to incorporate transverse stitching reinforcement, internal layers, and a self-healing ionomer membrane. To assess the effects of a space environment, thermal expansion behavior of the candidate foam materials was investigated under a vacuum and increasing temperature. Finally, a thermal expansion model was developed for foam under vacuum conditions and its predictive capability assessed.

Using an SU-8 photoresist structure and cytochrome C thin film sensing material for a microbolometer.

PubMed

Lai, Jian-Lun; Liao, Chien-Jen; Su, Guo-Dung John

2012-11-27

There are two critical parameters for microbolometers: the temperature coefficient of resistance (TCR) of the sensing material, and the thermal conductance of the insulation structure. Cytochrome c protein, having a high TCR, is a good candidate for infrared detection. We can use SU-8 photoresist for the thermal insulation structure, given its low thermal conductance. In this study, we designed a platform structure based on a SU-8 photoresist. We fabricated an infrared sensing pixel and recorded a high TCR for this new structure. The SU-8 photoresist insulation structure was fabricated using the exposure dose method. We experimentally demonstrated high values of TCR from 22%/K to 25.7%/K, and the measured noise was 1.2 × 10(-8) V2/Hz at 60 Hz. When the bias current was 2 μA, the calculated voltage responsivity was 1.16 × 10(5) V/W. This study presents a new kind of microbolometer based on cytochrome c protein on top of an SU-8 photoresist platform that does not require expensive vacuum deposition equipment.

Using an SU-8 Photoresist Structure and Cytochrome C Thin Film Sensing Material for a Microbolometer

PubMed Central

Lai, Jian-Lun; Liao, Chien-Jen; Su, Guo-Dung John

2012-01-01

There are two critical parameters for microbolometers: the temperature coefficient of resistance (TCR) of the sensing material, and the thermal conductance of the insulation structure. Cytochrome c protein, having a high TCR, is a good candidate for infrared detection. We can use SU-8 photoresist for the thermal insulation structure, given its low thermal conductance. In this study, we designed a platform structure based on a SU-8 photoresist. We fabricated an infrared sensing pixel and recorded a high TCR for this new structure. The SU-8 photoresist insulation structure was fabricated using the exposure dose method. We experimentally demonstrated high values of TCR from 22%/K to 25.7%/K, and the measured noise was 1.2 × 10−8 V2/Hz at 60 Hz. When the bias current was 2 μA, the calculated voltage responsivity was 1.16 × 105 V/W. This study presents a new kind of microbolometer based on cytochrome c protein on top of an SU-8 photoresist platform that does not require expensive vacuum deposition equipment. PMID:23443384

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

Morphology characterization and biocompatibility study of PLLA (Poly-L-Llactid-Acid) coating chitosan as stent for coronary heart disease

NASA Astrophysics Data System (ADS)

Widiyanti, Prihartini; Paramadini, Adanti W.; Jabbar, Hajria; Fatimah, Inas; Nisak, Fadila N. K.; Puspitasari, Rahma A.

2016-03-01

Cardiovascular disease is a global disease with high urgency. In the severe case of coronary heart disease while a blockage in the coronary arteries reach 75% or more, the patient required stent implantation. Stents are made of metal which has many limitations that can lead to blood clots and stent incompatibility toward the size of the blood vessels. There is a metal stent replacement solution that made from polymer material which is biocompatible. PLLA also has biocompatibility and good mechanical strength. PLLA stent will be coated with chitosan as a candidate for drug-coated stents which is able to work as a drug carrier. The aim of this study is to know the morphology information and biocompability status of PLLA coating chitosan as candidate of heart stent. Morphological results using SEM showed a smooth surface structure which reinforced clinical standard of stent material. Results of cytotoxicity test by MTT Assay method showed that the result of four samples in this experiment living cells is reached 90% which is non toxic and safe to use in the human body. %). The conclusion of this study is PLLA is polymer has potency to be used as stent material.

Development of a candidate reference measurement procedure for the analysis of cortisol in human serum samples by isotope dilution-gas chromatography-mass spectrometry.

PubMed

Kawaguchi, Migaku; Takatsu, Akiko

2009-08-01

A candidate reference measurement procedure involving isotope dilution coupled with gas chromatography-mass spectrometry (GC-MS) has been developed and critically evaluated. An isotopically labeled internal standard, cortisol-d(2), was added to a serum sample. After equilibration, solid-phase extractions (SPE) for sample preparation and derivatization with heptafluorobutyric anhydride (HFBA) were performed for GC-MS analysis. The limit of detection (LOD) and the limit of quantification (LOQ) were 5 and 20 ng g(-1), respectively. The recovery of the added cortisol ranged from 99.8 to 101.0%. Excellent precision was obtained with a within-day variation (RSD) of 0.7% for GC-MS analysis. The accuracy of the measurement was evaluated by comparing of results of this reference measurement procedure on lyophilized human serum reference materials for cortisol (European Reference Materials (ERM)-DA 192) as Certified Reference Materials (CRMs). The results of this method for total cortisol agreed with the certified values within some uncertainty. This method, which demonstrates simply, easy, good accuracy, high precision, and is free from interferences from structural analogues, qualifies as a reference measurement procedure.

Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling

NASA Astrophysics Data System (ADS)

Bai, Peng; Jeon, Mi Young; Ren, Limin; Knight, Chris; Deem, Michael W.; Tsapatsis, Michael; Siepmann, J. Ilja

2015-01-01

Zeolites play numerous important roles in modern petroleum refineries and have the potential to advance the production of fuels and chemical feedstocks from renewable resources. The performance of a zeolite as separation medium and catalyst depends on its framework structure. To date, 213 framework types have been synthesized and >330,000 thermodynamically accessible zeolite structures have been predicted. Hence, identification of optimal zeolites for a given application from the large pool of candidate structures is attractive for accelerating the pace of materials discovery. Here we identify, through a large-scale, multi-step computational screening process, promising zeolite structures for two energy-related applications: the purification of ethanol from fermentation broths and the hydroisomerization of alkanes with 18-30 carbon atoms encountered in petroleum refining. These results demonstrate that predictive modelling and data-driven science can now be applied to solve some of the most challenging separation problems involving highly non-ideal mixtures and highly articulated compounds.

Multiple topological electronic phases in superconductor MoC

NASA Astrophysics Data System (ADS)

Huang, Angus; Smith, Adam D.; Schwinn, Madison; Lu, Qiangsheng; Chang, Tay-Rong; Xie, Weiwei; Jeng, Horng-Tay; Bian, Guang

2018-05-01

The search for a superconductor with non-s -wave pairing is important not only for understanding unconventional mechanisms of superconductivity but also for finding new types of quasiparticles such as Majorana bound states. Materials with both topological band structure and superconductivity are promising candidates as p +i p superconducting states can be generated through pairing the spin-polarized topological surface states. In this work, the electronic and phonon properties of the superconductor molybdenum carbide (MoC) are studied with first-principles methods. Our calculations show that nontrivial band topology and s -wave Bardeen-Cooper-Schrieffer superconductivity coexist in two structural phases of MoC, namely the cubic α and hexagonal γ phases. The α phase is a strong topological insulator and the γ phase is a topological nodal-line semimetal with drumhead surface states. In addition, hole doping can stabilize the crystal structure of the α phase and elevate the transition temperature in the γ phase. Therefore, MoC in different structural forms can be a practical material platform for studying topological superconductivity.

Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications

NASA Astrophysics Data System (ADS)

Xie, Zhiqing; Su, Xin; Ding, Hanqin; Li, Hongyi

2018-06-01

Nonlinear optical materials have attracted worldwide attention owing to their wide range of applications, specially in the laser field. Phosphates with noncentrosymmetric structures are potential candidates for novel ultraviolet (UV)-NLO materials, because they usually display short UV cut-off edges. In this work, a polyphosphate, the LiZnP3O9 polyphosphate crystals were grown through spontaneous crystallization from high-temperature melts. It crystallizes in the orthorhombic space group P212121 with unit cell parameters a = 8.330(3) Å, b = 8.520(3) Å, c = 8.635(3) Å, and Z = 4. In the structure, all the P atoms are coordinated by four oxygen atoms forming the [PO4] tetrahedra and further connected to generate a zig-zag [PO3]∞ anionic framework. Thermal analysis, IR spectroscopy, UV-vis-NIR diffuse reflectance spectrum and powder second harmonic generation measurements are performed. In addition, the first-principles calculation was employed for better understanding the structure-property relationships of LiZnP3O9.

Study to develop improved fire resistant aircraft passenger seat materials, phase 1

NASA Technical Reports Server (NTRS)

Trabold, E. L.

1977-01-01

The procurement and testing of a wide range of candidate materials is reported. Improved fire resistant nonmetallic materials were subjected to tests to evaluate their thermal characteristics, such as burn, smoke generation, heat release rate and toxicity. In addition, candidate materials were evaluated for mechanical, physical and aesthetic properties. Other properties considered included safety, comfort, durability and maintainability. The fiscal year 1977 and the projected 1980 cost data were obtained for aircraft seat materials.

Automated first-principles mapping for phase-change materials.

PubMed

Esser, Marc; Maintz, Stefan; Dronskowski, Richard

2017-04-05

Plotting materials on bi-coordinate maps according to physically meaningful descriptors has a successful tradition in computational solid-state science spanning more than four decades. Equipped with new ab initio techniques introduced in this work, we generate an improved version of the treasure map for phase-change materials (PCMs) as introduced previously by Lencer et al. which, other than before, charts all industrially used PCMs correctly. Furthermore, we suggest seven new PCM candidates, namely SiSb 4 Te 7 , Si 2 Sb 2 Te 5 , SiAs 2 Te 4 , PbAs 2 Te 4 , SiSb 2 Te 4 , Sn 2 As 2 Te 5 , and PbAs 4 Te 7 , to be used as synthetic targets. To realize aforementioned maps based on orbital mixing (or "hybridization") and ionicity coordinates, structural information was first included into an ab initio numerical descriptor for sp 3 orbital mixing and then generalized beyond high-symmetry structures. In addition, a simple, yet powerful quantum-mechanical ionization measure also including structural information was introduced. Taken together, these tools allow for (automatically) generating materials maps solely relying on first-principles calculations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Impact of polymer structure and composition on fully resorbable endovascular scaffold performance

PubMed Central

Ferdous, Jahid; Kolachalama, Vijaya B.; Shazly, Tarek

2014-01-01

Fully erodible endovascular scaffolds are being increasingly considered for the treatment of obstructive arterial disease owing to their potential to mitigate long-term risks associated with permanent alternatives. While complete scaffold erosion facilitates vessel healing, generation and release of material degradation by-products from candidate materials such as poly-l-lactide (PLLA) may elicit local inflammatory responses that limit implant efficacy. We developed a computational framework to quantify how the compositional and structural parameters of PLLA-based fully erodible endovascular scaffolds affect degradation kinetics, erosion kinetics and the transient accumulation of material by-products within the arterial wall. Parametric studies reveal that, while some material properties have similar effects on these critical processes, others induce qualitatively opposing responses. For example, scaffold degradation is only mildly responsive to changes in either PLLA polydispersity or the initial degree of crystallinity, while the erosion kinetics is comparatively sensitive to crystallinity. Moreover, lactide doping can effectively tune both scaffold degradation and erosion, but a concomitant increase in local byproduct accumulation raises concerns about implant safety. Optimized erodible endovascular scaffolds must precisely balance therapeutic function and biological response over the implant lifetime, where compositional and structural parameters will have differential effects on implant performance. PMID:23261926

Structural application of high strength, high temperature ceramics

NASA Technical Reports Server (NTRS)

Hall, W. B.

1982-01-01

The operation of rocket engine turbine pumps is limited by the temperature restrictions of metallic components used in the systems. Mechanical strength and stability of these metallic components decrease drastically at elevated temperatures. Ceramic materials that retain high strength at high temperatures appear to be a feasible alternate material for use in the hot end of the turbopumps. This project identified and defined the processing parameters that affected the properties of Si3N4, one of candidate ceramic materials. Apparatus was assembled and put into operation to hot press Si3N4 powders into bulk material for in house evaluation. A work statement was completed to seek outside contract services to design, manufacture, and evaluate Si3N4 components in the service environments that exists in SSME turbopumps.

Designing high-performance layered thermoelectric materials through orbital engineering

PubMed Central

Zhang, Jiawei; Song, Lirong; Madsen, Georg K. H.; Fischer, Karl F. F.; Zhang, Wenqing; Shi, Xun; Iversen, Bo B.

2016-01-01

Thermoelectric technology, which possesses potential application in recycling industrial waste heat as energy, calls for novel high-performance materials. The systematic exploration of novel thermoelectric materials with excellent electronic transport properties is severely hindered by limited insight into the underlying bonding orbitals of atomic structures. Here we propose a simple yet successful strategy to discover and design high-performance layered thermoelectric materials through minimizing the crystal field splitting energy of orbitals to realize high orbital degeneracy. The approach naturally leads to design maps for optimizing the thermoelectric power factor through forming solid solutions and biaxial strain. Using this approach, we predict a series of potential thermoelectric candidates from layered CaAl2Si2-type Zintl compounds. Several of them contain nontoxic, low-cost and earth-abundant elements. Moreover, the approach can be extended to several other non-cubic materials, thereby substantially accelerating the screening and design of new thermoelectric materials. PMID:26948043

Simulating functional magnetic materials on supercomputers.

PubMed

Gruner, Markus Ernst; Entel, Peter

2009-07-22

The recent passing of the petaflop per second landmark by the Roadrunner project at the Los Alamos National Laboratory marks a preliminary peak of an impressive world-wide development in the high-performance scientific computing sector. Also, purely academic state-of-the-art supercomputers such as the IBM Blue Gene/P at Forschungszentrum Jülich allow us nowadays to investigate large systems of the order of 10(3) spin polarized transition metal atoms by means of density functional theory. Three applications will be presented where large-scale ab initio calculations contribute to the understanding of key properties emerging from a close interrelation between structure and magnetism. The first two examples discuss the size dependent evolution of equilibrium structural motifs in elementary iron and binary Fe-Pt and Co-Pt transition metal nanoparticles, which are currently discussed as promising candidates for ultra-high-density magnetic data storage media. However, the preference for multiply twinned morphologies at smaller cluster sizes counteracts the formation of a single-crystalline L1(0) phase, which alone provides the required hard magnetic properties. The third application is concerned with the magnetic shape memory effect in the Ni-Mn-Ga Heusler alloy, which is a technologically relevant candidate for magnetomechanical actuators and sensors. In this material strains of up to 10% can be induced by external magnetic fields due to the field induced shifting of martensitic twin boundaries, requiring an extremely high mobility of the martensitic twin boundaries, but also the selection of the appropriate martensitic structure from the rich phase diagram.

Mechanical analysis of confectioning flaw of refractory alloy honeycomb sandwich structure

NASA Astrophysics Data System (ADS)

He, Xiaodong; Kong, Xianghao; Shi, Liping; Li, Mingwei

2009-03-01

Thermal protection system is one of the key technology of reusable launch vehicle (RLV). After C/C and ceramic-matrix composite used in space orbiter, one new-typed thermal protection systems (TPS)-ARMOR TPS is coming forth. ARMOR TPS is means adaptable, robust, metallic, operable, reusable TPS. The ARMOR TPS has many advantages, for example: fixing easily, longer life, good properties, short time of maintenance and service. The ARMOR TPS is one of important candidate structure of RLV. ARMOR thermal protection system in foreign countries for reusable launch vehicle is used instead of the traditional ceramic-matrix composite thermal protection system and C/C thermal protection system. Also the constituent feature of ARMOR thermal protection system is much better than the traditional TPS. In comparison with traditional TPS, the ARMOR TPS will be the best selection for all kinds of RLV. So the ARMOR thermal protection system will be used in aviation and spaceflight field more and more widely because of its much better performance. ARMOR TPS panel is above the whole ARMOR TPS, and the metal honeycomb sandwich structure is the surface of the ARMOR TPS panel. So the metal honeycomb sandwich structure plays an important role in the ARMOR TPS, while it bears the flight dynamic pressure and stands against the flight dynamic calefaction. The metal honeycomb sandwich structure is made using the technique of the whole braze welding. In the course of the vacuum high temperature braze welding, its surface will appear concave. The reasons which lead to the shortage are summarized and discussed. The difference of thermal expansion coefficient and pressure between the core and the panels may be the chief reasons. This paper will analyze the mechanics behavior of metal honeycomb sandwich structure in the course of the vacuum high temperature braze welding, then make sure the reasons and get a way to solve it. Haynes214 is a good material of face sheet at present. γ - TiAl and microlaminate materials are the candidate materials in the future.

Advanced Characterization Techniques for Sodium-Ion Battery Studies

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

Shadike, Zulipiya; Zhao, Enyue; Zhou, Yong-Ning

Sodium (Na)-ion batteries (NIBs) are considered promising alternative candidates to the well-commercialized lithium-ion batteries, especially for applications in large-scale energy storage systems. The electrochemical performance of NIBs such as the cyclability, rate capability, and voltage profiles are strongly dependent on the structural and morphological evolution, phase transformation, sodium-ion diffusion, and electrode/electrolyte interface reconstruction during charge–discharge cycling. Therefore, in-depth understanding of the structure and kinetics of electrode materials and the electrode/electrolyte interfaces is essential for optimizing current NIB systems and exploring new materials for NIBs. Recently, rapid progress and development in spectroscopic, microscopic, and scattering techniques have provided extensive insight intomore » the nature of structural evolution, morphological changes of electrode materials, and electrode/electrolyte interface in NIBs. Here in this review, a comprehensive overview of both static (ex situ) and real-time (in situ or in operando) techniques for studying the NIBs is provided. Lastly, special focus is placed on how these techniques are applied to the fundamental investigation of NIB systems and what important results are obtained.« less

Spin-orbit excitations and electronic structure of the putative Kitaev magnet α -RuCl3

NASA Astrophysics Data System (ADS)

Sandilands, Luke J.; Tian, Yao; Reijnders, Anjan A.; Kim, Heung-Sik; Plumb, K. W.; Kim, Young-June; Kee, Hae-Young; Burch, Kenneth S.

2016-02-01

Mott insulators with strong spin-orbit coupling have been proposed to host unconventional magnetic states, including the Kitaev quantum spin liquid. The 4 d system α -RuCl3 has recently come into view as a candidate Kitaev system, with evidence for unusual spin excitations in magnetic scattering experiments. We apply a combination of optical spectroscopy and Raman scattering to study the electronic structure of this material. Our measurements reveal a series of orbital excitations involving localized total angular momentum states of the Ru ion, implying that strong spin-orbit coupling and electron-electron interactions coexist in this material. Analysis of these features allows us to estimate the spin-orbit coupling strength, as well as other parameters describing the local electronic structure, revealing a well-defined hierarchy of energy scales within the Ru d states. By comparing our experimental results with density functional theory calculations, we also clarify the overall features of the optical response. Our results demonstrate that α -RuCl3 is an ideal material system to study spin-orbit coupled magnetism on the honeycomb lattice.

Advanced Characterization Techniques for Sodium-Ion Battery Studies

DOE PAGES

Shadike, Zulipiya; Zhao, Enyue; Zhou, Yong-Ning; ...

2018-02-19

Sodium (Na)-ion batteries (NIBs) are considered promising alternative candidates to the well-commercialized lithium-ion batteries, especially for applications in large-scale energy storage systems. The electrochemical performance of NIBs such as the cyclability, rate capability, and voltage profiles are strongly dependent on the structural and morphological evolution, phase transformation, sodium-ion diffusion, and electrode/electrolyte interface reconstruction during charge–discharge cycling. Therefore, in-depth understanding of the structure and kinetics of electrode materials and the electrode/electrolyte interfaces is essential for optimizing current NIB systems and exploring new materials for NIBs. Recently, rapid progress and development in spectroscopic, microscopic, and scattering techniques have provided extensive insight intomore » the nature of structural evolution, morphological changes of electrode materials, and electrode/electrolyte interface in NIBs. Here in this review, a comprehensive overview of both static (ex situ) and real-time (in situ or in operando) techniques for studying the NIBs is provided. Lastly, special focus is placed on how these techniques are applied to the fundamental investigation of NIB systems and what important results are obtained.« less

On the use of tin?lithium alloys as breeder material for blankets of fusion power plants

NASA Astrophysics Data System (ADS)

Fütterer, M. A.; Aiello, G.; Barbier, F.; Giancarli, L.; Poitevin, Y.; Sardain, P.; Szczepanski, J.; Li Puma, A.; Ruvutuso, G.; Vella, G.

2000-12-01

Tin-lithium alloys have several attractive thermo-physical properties, in particular high thermal conductivity and heat capacity, that make them potentially interesting candidates for use in liquid metal blankets. This paper presents an evaluation of the advantages and drawbacks caused by the substitution of the currently employed alloy lead-lithium (Pb-17Li) by a suitable tin-lithium alloy: (i) for the European water-cooled Pb-17Li (WCLL) blanket concept with reduced activation ferritic-martensitic steel as the structural material; (ii) for the European self-cooled TAURO blanket with SiC f/SiC as the structural material. It was found that in none of these blankets Sn-Li alloys would lead to significant advantages, in particular due to the low tritium breeding capability. Only in forced convection cooled divertors with W-alloy structure, Sn-Li alloys would be slightly more favorable. It is concluded that Sn-Li alloys are only advantageous in free surface cooled reactor internals, as this would make maximum use of the principal advantage of Sn-Li, i.e., the low vapor pressure.

Chemical sensors based on N-substituted polyaniline derivatives: reactivity and adsorption studies via electronic structure calculations.

PubMed

Mandú, Larissa O; Batagin-Neto, Augusto

2018-06-09

Conjugated organic polymers represent an important class of materials for varied technological applications including in active layers of chemical sensors. In this context, polyaniline (PANI) derivatives are promising candidates, mainly due to their high chemical stability, good processability, versatility of synthesis, polymerization, and doping, as well as relative low cost. In this study, electronic structure calculations were carried out for varied N-substituted PANI derivatives in order to investigate the potential sensory properties of these materials. The opto-electronic properties of nine distinct compounds were evaluated and discussed in terms of the employed substituents. Preliminary reactivity studies were performed in order to identify adsorption centers on the oligomer structures via condensed-to-atoms Fukui indexes (CAFI). Finally, adsorption studies were carried out for selected derivatives considering five distinct gaseous analytes. The influence of the analytes on the oligomer properties were investigated via the evaluation of average binding energies and changes on the structural features, optical absorption spectra, frontier orbitals distribution, and total density of states in relation to the isolated oligomers. The obtained results indicate the derivatives PANI-NO 2 and PANI-C 6 H 5 as promising materials for the development of improved chemical sensors.

Three-dimensional hollow-structured binary oxide particles as an advanced anode material for high-rate and long cycle life lithium-ion batteries

DOE PAGES

Wang, Deli; Wang, Jie; He, Huan; ...

2015-12-30

Transition metal oxides are among the most promising anode candidates for next-generation lithium-ion batteries for their high theoretical capacity. However, the large volume expansion and low lithium ion diffusivity leading to a poor charging/discharging performance. In this study, we developed a surfactant and template-free strategy for the synthesis of a composite of Co xFe 3–xO 4 hollow spheres supported by carbon nanotubes via an impregnation–reduction–oxidation process. The synergy of the composite, as well as the hollow structures in the electrode materials, not only facilitate Li ion and electron transport, but also accommodate large volume expansion. Using state-of-the-art electron tomography, wemore » directly visualize the particles in 3-D, where the voids in the hollow structures serve to buffer the volume expansion of the material. These improvements result in a high reversible capacity as well as an outstanding rate performance for lithium-ion battery applications. As a result, this study sheds light on large-scale production of hollow structured metal oxides for commercial applications in energy storage and conversion.« less

Materials prediction via classification learning

DOE PAGES

Balachandran, Prasanna V.; Theiler, James; Rondinelli, James M.; ...

2015-08-25

In the paradigm of materials informatics for accelerated materials discovery, the choice of feature set (i.e. attributes that capture aspects of structure, chemistry and/or bonding) is critical. Ideally, the feature sets should provide a simple physical basis for extracting major structural and chemical trends and furthermore, enable rapid predictions of new material chemistries. Orbital radii calculated from model pseudopotential fits to spectroscopic data are potential candidates to satisfy these conditions. Although these radii (and their linear combinations) have been utilized in the past, their functional forms are largely justified with heuristic arguments. Here we show that machine learning methods naturallymore » uncover the functional forms that mimic most frequently used features in the literature, thereby providing a mathematical basis for feature set construction without a priori assumptions. We apply these principles to study two broad materials classes: (i) wide band gap AB compounds and (ii) rare earth-main group RM intermetallics. The AB compounds serve as a prototypical example to demonstrate our approach, whereas the RM intermetallics show how these concepts can be used to rapidly design new ductile materials. In conclusion, our predictive models indicate that ScCo, ScIr, and YCd should be ductile, whereas each was previously proposed to be brittle.« less

Materials Prediction via Classification Learning

PubMed Central

Balachandran, Prasanna V.; Theiler, James; Rondinelli, James M.; Lookman, Turab

2015-01-01

In the paradigm of materials informatics for accelerated materials discovery, the choice of feature set (i.e. attributes that capture aspects of structure, chemistry and/or bonding) is critical. Ideally, the feature sets should provide a simple physical basis for extracting major structural and chemical trends and furthermore, enable rapid predictions of new material chemistries. Orbital radii calculated from model pseudopotential fits to spectroscopic data are potential candidates to satisfy these conditions. Although these radii (and their linear combinations) have been utilized in the past, their functional forms are largely justified with heuristic arguments. Here we show that machine learning methods naturally uncover the functional forms that mimic most frequently used features in the literature, thereby providing a mathematical basis for feature set construction without a priori assumptions. We apply these principles to study two broad materials classes: (i) wide band gap AB compounds and (ii) rare earth-main group RM intermetallics. The AB compounds serve as a prototypical example to demonstrate our approach, whereas the RM intermetallics show how these concepts can be used to rapidly design new ductile materials. Our predictive models indicate that ScCo, ScIr, and YCd should be ductile, whereas each was previously proposed to be brittle. PMID:26304800

Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions

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

Marian, Jaime; Becquart, Charlotte S.; Domain, Christophe

2017-06-09

Under the anticipated operating conditions for demonstration magnetic fusion reactors beyond ITER, structural materials will be exposed to unprecedented conditions of irradiation, heat flux, and temperature. While such extreme environments remain inaccessible experimentally, computational modeling and simulation can provide qualitative and quantitative insights into materials response and complement the available experimental measurements with carefully validated predictions. For plasma facing components such as the first wall and the divertor, tungsten (W) has been selected as the best candidate material due to its superior high-temperature and irradiation properties. In this paper we provide a review of recent efforts in computational modeling ofmore » W both as a plasma-facing material exposed to He deposition as well as a bulk structural material subjected to fast neutron irradiation. We use a multiscale modeling approach –commonly used as the materials modeling paradigm– to define the outline of the paper and highlight recent advances using several classes of techniques and their interconnection. We highlight several of the most salient findings obtained via computational modeling and point out a number of remaining challenges and future research directions« less

Feasibility of SiC composite structures for 1644 deg gas turbine seal applications

NASA Technical Reports Server (NTRS)

Darolia, R.

1979-01-01

The feasibility of silicon carbide composite structures was evaluated for 1644 K gas turbine seal applications. The silicon carbide composites evaluated consisted of Si/SiC Silcomp (Trademark) - and sintered silicon carbide as substrates, both with attached surface layers containing BN as an additive. A total of twenty-eight candidates with variations in substrate type and density, and layer chemistry, density, microstructure, and thickness were evaluated for abradability, cold particle erosion resistance, static oxidation resistance, ballistic impact resistance, and fabricability. The BN-free layers with variations in density and pore size were later added for evaluation. The most promising candidates were evaluated for Mach 1.0 gas oxidation/erosion resistance from 1477 K to 1644 K. The as-fabricated rub layers did not perform satisfactorily in the gas oxidation/erosion tests. However, preoxidation was found to be beneficial in improving the hot gas erosion resistance. Overall, the laboratory and rig test evaluations show that material properties are suitable for 1477 K gas turbine seal applications.

TECHNICAL BASIS FOR A CANDIDATE BUILDING MATERIALS RADIUM STANDARD

EPA Science Inventory

The report summarizes the technical basis for a candidate building materials radium standard. It contains the standard and a summary of the technical basis for the standard. (NOTE: The Florida Radon Research Program (FRRP), sponsored by the Environmental Protection Agency and the...

Experimental study of compatibility of reduced metal oxides with thermal energy storage lining materials

NASA Astrophysics Data System (ADS)

El-Leathy, Abdelrahman; Danish, Syed Noman; Al-Ansary, Hany; Jeter, Sheldon; Al-Suhaibani, Zeyad

2016-05-01

Solid particles have been shown to be able to operate at temperatures higher than 1000 °C in concentrated solar power (CSP) systems with thermal energy storage (TES). Thermochemical energy storage (TCES) using metal oxides have also found to be advantageous over sensible and latent heat storage concepts. This paper investigates the compatibility of the inner lining material of a TES tank with the reduced metal oxide. Two candidate metal oxides are investigated against six candidate lining materials. XRD results for both the materials are investigated and compared before and after the reduction of metal oxide at 1000°C in the presence of lining material. It is found that the lining material rich in zirconia is suitable for such application. Silicon Carbide is also found non-reacting with one of the metal oxides so it needs to be further investigated with other candidate metal oxides.

Far-infrared BRDFs and reflectance spectra of candidate SOFIA telescope, cavity, and focal-plane instrument surfaces

NASA Astrophysics Data System (ADS)

Meyer, Allan W.; Smith, Sheldon M.; Koerber, Christopher T.

2000-06-01

The far-infrared reflectance and scattering properties of telescope surfaces, surrounding cavity walls, and surfaces within focal-plane instruments can be significant contributors to background noise. Radiation from sources well off-axis, such as the earth, moon or aircraft engines may be multiply scattered by the cavity walls and/or surface facets of a complex telescope structure. The Non-Specular Reflectometer at NASA Ames Research Center was reactivated and upgraded, and used to measure reflectance and Bi- directional Reflectance Distribution Functions for samples of planned telescope system structural materials and associated surface treatments.

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

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

GENESUS: a two-step sequence design program for DNA nanostructure self-assembly.

PubMed

Tsutsumi, Takanobu; Asakawa, Takeshi; Kanegami, Akemi; Okada, Takao; Tahira, Tomoko; Hayashi, Kenshi

2014-01-01

DNA has been recognized as an ideal material for bottom-up construction of nanometer scale structures by self-assembly. The generation of sequences optimized for unique self-assembly (GENESUS) program reported here is a straightforward method for generating sets of strand sequences optimized for self-assembly of arbitrarily designed DNA nanostructures by a generate-candidates-and-choose-the-best strategy. A scalable procedure to prepare single-stranded DNA having arbitrary sequences is also presented. Strands for the assembly of various structures were designed and successfully constructed, validating both the program and the procedure.

Observation of a two-dimensional Fermi surface and Dirac dispersion in YbMnSb2

NASA Astrophysics Data System (ADS)

Kealhofer, Robert; Jang, Sooyoung; Griffin, Sinéad M.; John, Caolan; Benavides, Katherine A.; Doyle, Spencer; Helm, T.; Moll, Philip J. W.; Neaton, Jeffrey B.; Chan, Julia Y.; Denlinger, J. D.; Analytis, James G.

2018-01-01

We present the crystal structure, electronic structure, and transport properties of the material YbMnSb2, a candidate system for the investigation of Dirac physics in the presence of magnetic order. Our measurements reveal that this system is a low-carrier-density semimetal with a two-dimensional Fermi surface arising from a Dirac dispersion, consistent with the predictions of density-functional-theory calculations of the antiferromagnetic system. The low temperature resistivity is very large, suggesting that scattering in this system is highly efficient at dissipating momentum despite its Dirac-like nature.

A 37-mm Ceramic Gun Nozzle Stress Analysis

DTIC Science & Technology

2006-05-01

Figures iv List of Tables iv 1 . Introduction 1 2. Ceramic Nozzle Structure and Materials 1 3. Sequentially-Coupled and Fully-Coupled Thermal Stress...FEM Analysis 1 4. Ceramic Nozzle Thermal Stress Response 4 5. Ceramic Nozzle Dynamic FEM 7 6. Ceramic Nozzle Dynamic Responses and Discussions 8 7...candidate ceramics and the test fixture model components are listed in table 1 . 3. Sequentially-Coupled and Fully-Coupled Thermal Stress FEM Analysis

High-surface-area, dual-function oxygen electrocatalysts for space power applications

NASA Technical Reports Server (NTRS)

Ham, David O.; Moniz, Gary; Taylor, E. Jennings

1987-01-01

The processes of hydration/dehydration and carbonation/decarbonation are investigated as an approach to provide higher surface area mixed metal oxides that are more active electrochemically. These materials are candidates for use as electrocatalysts and electrocatalyst supports for alkaline electrolyzers and fuel cells. For the case of the perovskite, LaCoO3 , higher surface areas were achieved with no change in structure and a more active oxygen electrocatalyst.

Magnetic and Crystal Structure of α-RuCl3

NASA Astrophysics Data System (ADS)

Sears, Jennifer

The layered honeycomb material α-RuCl3 has been proposed as a candidate material to show significant bond-dependent Kitaev type interactions. This has prompted several recent studies of magnetism in this material that have found evidence for multiple magnetic transitions in the temperature range of 8-14 K. We will present elastic neutron scattering measurements collected using a co-aligned array of α-RuCl3 crystals, identifying zigzag magnetic order within the honeycomb planes with an ordering temperature of ~8 K. It has been reported that the ordering temperature depends on the c axis periodicity of the layered structure, with ordering temperatures of 8 and 14 K for three and two-layer periodicity respectively. While the in-plane magnetic order has been identified, it is clear that a complete understanding of magnetic ordering and interactions will depend on the three dimensional structure of the crystal. Evidence of a structural transition at ~150 K has been reported and questions remain about the structural details, in particular the stacking of the honeycomb layers. We will present x-ray diffraction measurements investigating the low and high temperature structures and stacking disorder in α-RuCl3. Finally, we will present inelastic neutron scattering measurements of magnetic excitations in this material. Work done in collaboration with K. W. Plumb (Johns Hopkins University), J. P. Clancy, Young-June Kim (University of Toronto), J. Britten (McMaster University), Yu-Sheng Chen (Argonne National Laboratory), Y. Qiu, Y. Zhao, D. Parshall, and J. W. Lynn (NCNR).

Tribomaterial factors in space mechanism brake performance

NASA Technical Reports Server (NTRS)

Hawthorne, H. M.

1990-01-01

The asbestos/phenolic pads of Shuttle Remote Manipulator System (SRMS) brakes are unsuitable for use in long life space mechanisms because their friction decreases on extended sliding in high vacuum. Dehydration of the material and accumulation of wear debris in the conforming interface of this tribosystem induces the permanent friction changes. Other polymer and some ceramic based materials exhibit similar frictional torque behavior due to the development of minimal contact patches by the interfacial debris. In contrast, high friction occurs when other ceramics form many small contacts throughout fine debris beds. Generating this latter interfacial structure during run-in ensures that the in-vacuo friction remains stable thereafter. Such materials with low wear rates are potential candidates for friction elements in SSRMS and similar mechanisms.

Thermoelectric properties of non-stoichiometric lanthanum sulfides

NASA Technical Reports Server (NTRS)

Shapiro, E.; Danielson, L. R.

1983-01-01

The lanthanum sulfides are promising candidate materials for high-efficiency thermoelectric applications at temperatures up to 1300 C. The non-stoichiometric lanthanum sulfides (LaS(x), where x is in the range 1.33-1.50) appear to possess the most favorable thermoelectric properties. The Seebeck coefficient and resistivity vary significantly with composition, so that an optimum value of alpha sq/rho (where alpha is the Seebeck coefficient and rho is the resistivity) can be chosen. The thermal conductivity remains approximately constant with stoichiometry, so a material with an optimum value of alpha sq/rho should possess the optimum figure-of-merit. Data for the Seebeck coefficient and electrical resistivity of non-stoichiometric lanthanum sulfides will be pressed, together with structural properties of these materials.

Semiconductor materials for high frequency solid state sources

NASA Astrophysics Data System (ADS)

Grubin, H. L.

1983-03-01

The broad goal of the subject contract is to suggest candidate materials for high frequency device operation. During the initial phase of the study, attention has been focused on defining the general role of the band structure and associated scattering processes in determining the response of semiconductors to transient high-speed electrical signals. Moments of the Boltzmann transport equation form the basis of the study, and the scattering rates define the semiconductor under study. The selection of semiconductor materials proceeds from a set of simple, yet significant, set of scaling principles. During the first quarter scaling was associated with what can formally be identified as velocity invariants, but which in more practical terms identifies the relative speed advantages of e.g., InP over GaAs.

Leach-proof magnetic thrombolytic nanoparticles and coatings of enhanced activity

NASA Astrophysics Data System (ADS)

Drozdov, Andrey S.; Vinogradov, Vasiliy V.; Dudanov, Ivan P.; Vinogradov, Vladimir V.

2016-06-01

Despite the fact that magnetic thrombolytic composites is an emerging area, all known so far systems are based on the similar mechanism of action: thrombolytic enzyme releases from the magnetic carrier leaving non-active matrix, thus making the whole system active only for a limited period of time. Such systems often have very complex structure organization and composition, consisting of materials not approved for parenteral injection, making them poor candidates for real clinical trials and implementation. Here we report, for the first time, the production of thrombolytic magnetic composite material with non-releasing behavior and prolonged action. Obtained composite shows good thrombolytic activity, consists of fully biocompatible materials and could be applied as infinitely active thrombolytic coatings or magnetically-targetable thrombolytic agents.

The phase diagram and hardness of carbon nitrides

DOE PAGES

Dong, Huafeng; Oganov, Artem R.; Zhu, Qiang; ...

2015-05-06

Novel superhard materials, especially those with superior thermal and chemical stability, are needed to replace diamond. Carbon nitrides (C-N), which are likely to possess these characteristics and have even been expected to be harder than diamond, are excellent candidates. Here we report three new superhard and thermodynamically stable carbon nitride phases. Based on a systematic evolutionary structure searches, we report a complete phase diagram of the C-N system at 0–300 GPa and analyze the hardest metastable structures. Surprisingly, we find that at zero pressure, the earlier proposed graphitic-C 3N 4 structure (P6-bar m2) is dynamically unstable, and we find themore » lowest-energy structure based on s-triazine unit and s-heptazine unit.« less

Synthesis and characterization of Graphene oxide/Zinc oxide nanorods sandwich structure

NASA Astrophysics Data System (ADS)

Boukhoubza, I.; Khenfouch, M.; Achehboune, M.; Mouthudi, B.; Zorkani, I.; Jorio, A.

2018-03-01

Graphene-ZnO nanostructures composite materials have been used as very efficient candidates for various optoelectronic applications. Nowadays, the composite structure formation of ZnO nanostructures with graphene or graphene oxide is a novel, cost effective and efficient approach to control the morphology, surface defect states, band gap of ZnO nanocrystals. In this paper, we have prepared ZnO nanorods between two layers graphene oxide (GO/ZnO NRs/GO) via a simple hydrothermal method. Their morphology, structural and optical properties have been investigated. The obtained results of our composites GO/ZnO NRs/GO presented here showing an enhancement in the structural and optical properties. Thus may hold great promise to the development of the optoelectronic devices.

First principles examination of electronic structure and optical features of 4H-GaN1-xPx polytype alloys

NASA Astrophysics Data System (ADS)

Laref, A.; Hussain, Z.; Laref, S.; Yang, J. T.; Xiong, Y. C.; Luo, S. J.

2018-04-01

By using first-principles calculations, we compute the electronic band structures and typical aspects of the optical spectra of hexagonally structured GaN1-xPx alloys. Although a type III-V semiconductor, GaP commonly possesses a zinc-blende structure with an indirect band gap; as such, it may additionally form hexagonal polytypes under specific growth conditions. The electronic structures and optical properties are calculated by combining a non-nitride III-V semiconductor and a nitride III-V semiconductor, as GaP and GaN crystallizing in a 4H polytype, with the N composition ranging between x = 0-1. For all studied materials, the energy gap is found to be direct. The optical properties of the hexagonal materials may illustrate the strong polarization dependence owing to the crystalline anisotropy. This investigation for GaN1-xPx alloys is anticipated to supply paramount information for applications in the visible/ultraviolet spectral regions. At a specific concentration, x, these alloys would be exclusively appealing candidates for solar-cell applications.

Structural Analyses of Stirling Power Convertor Heater Head for Long-Term Reliability, Durability, and Performance

NASA Technical Reports Server (NTRS)

Halford, Gary R.; Shah, Ashwin; Arya, Vinod K.; Krause, David L.; Bartolotta, Paul A.

2002-01-01

Deep-space missions require onboard electric power systems with reliable design lifetimes of up to 10 yr and beyond. A high-efficiency Stirling radioisotope power system is a likely candidate for future deep-space missions and Mars rover applications. To ensure ample durability, the structurally critical heater head of the Stirling power convertor has undergone extensive computational analyses of operating temperatures (up to 650 C), stresses, and creep resistance of the thin-walled Inconel 718 bill of material. Durability predictions are presented in terms of the probability of survival. A benchmark structural testing program has commenced to support the analyses. This report presents the current status of durability assessments.

[The preparation of a new hydroxyapatite and the study on its cytocompatibility].

PubMed

Tao, Kai; Mao, Tianqiu; Chen, Fulin; Liu, Xiaoyan

2006-08-01

The cuttlebones, harvested from cuttles, undergo the chemical reaction in high temperature and high pressure for a certain time. The products are qualitatively analysed, and spacial structure observation and cytocompatibility are tested. The results show that the chemical component of the cuttlebone is CaCO3 and the crystal type is aragonite. Cuttlebones undergo a hydro-thermal reaction, and thus transform into hydroxyapatite-that is, the cuttlebone-transformed hydroxyapatite(CBHA). The CBHA materials have the interconnected microporous network structures. Under the high magnification, CBHAs appear to have many micro-spheres, thus construct a new self-assembled nano-material system. The marrow stromal osteoblasts can adhere to and proliferate well on the surface of the CBHAs. These results show that CBHAs have good biocompatibility. Therefore, it can be a potential candidate scaffold for bone tissue engineering.

Clad metals by roll bonding for SOFC interconnects

NASA Astrophysics Data System (ADS)

Chen, L.; Jha, B.; Yang, Zhenguo; Xia, Guang-Guang; Stevenson, Jeffry W.; Singh, Prabhakar

2006-08-01

High-temperature oxidation-resistant alloys are currently considered as a candidate material for construction of interconnects in intermediate-temperature solid oxide fuel cells. Among these alloys, however, different groups of alloys demonstrate different advantages and disadvantages, and few, if any, can completely satisfy the stringent requirements for the application. To integrate the advantages and avoid the disadvantages of different groups of alloys, cladding has been proposed as one approach in fabricating metallic layered interconnect structures. To examine the feasibility of this approach, the austenitic Ni-base alloy Haynes 230 and the ferritic stainless steel AL 453 were selected as examples and manufactured into a clad metal. Its suitability as an interconnect construction material was investigated. This paper provides a brief overview of the cladding approach and discusses the viability of this technology to fabricate the metallic layered-structure interconnects.

The relative fire resistance of select thermoplastic materials. [for aircraft interiors

NASA Technical Reports Server (NTRS)

Kourtides, D. A.; Parker, J. A.

1978-01-01

The relative thermal stability, flammability, and related thermochemical properties of some thermoplastic materials currently used in aircraft interiors as well as of some candidate thermoplastics were investigated. Currently used materials that were evaluated include acrylonitrile butadiene styrene, bisphenol A polycarbonate, polyphenylene oxide, and polyvinyl fluoride. Candidate thermoplastic materials evaluated include: 9,9-bis(4-hydroxyphenyl)fluorene polycarbonate-poly(dimethylsiloxane) block polymer, chlorinated polyvinylchloride homopolymer, phenolphthalein polycarbonate, polyethersulfone, polyphenylene sulfide, polyarylsulfone, and polyvinylidene fluoride.

Fatigue behavior and life prediction of a SiC/Ti-24Al-11Nb composite under isothermal conditions. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Bartolotta, Paul A.

1991-01-01

Metal Matrix Composites (MMC) and Intermetallic Matrix Composites (IMC) were identified as potential material candidates for advanced aerospace applications. They are especially attractive for high temperature applications which require a low density material that maintains its structural integrity at elevated temperatures. High temperature fatigue resistance plays an important role in determining the structural integrity of the material. This study attempts to examine the relevance of test techniques, failure criterion, and life prediction as they pertain to an IMC material, specifically, unidirectional SiC fiber reinforced titanium aluminide. A series of strain and load controlled fatigue tests were conducted on unidirectional SiC/Ti-24Al-11Nb composite at 425 and 815 C. Several damage mechanism regimes were identified by using a strain-based representation of the data, Talreja's fatigue life diagram concept. Results of these tests were then used to address issues of test control modes, definition of failure, and testing techniques. Finally, a strain-based life prediction method was proposed for an IMC under tensile cyclic loadings at elevated temperatures.

Evaluation of the effect of reprocessing on the structure and properties of low density polyethylene/thermoplastic starch blends.

PubMed

Peres, Anderson M; Pires, Ruthe R; Oréfice, Rodrigo L

2016-01-20

The great quantity of synthetic plastic discarded inappropriately in the environment is forcing the search for materials that can be reprocessable and biodegradable. Blends between synthetic polymers and natural and biodegradable polymers can be good candidates of such novel materials because they can combine processability with biodegradation and the use of renewable raw materials. However, traditional polymers usually present high levels of recyclability and use the well-established recycling infrastructure that can eventually be affected by the introduction of systems containing natural polymers. Thus, this work aims to evaluate the effect of reprocessing (simulated here by multiple extrusions) on the structure and properties of a low density polyethylene/thermoplastic starch (LDPE/TPS) blend compared to LDPE. The results indicated that multiple extrusion steps led to a reduction in the average size of the starch-rich phases of LDPE/TPS blends and minor changes in the mechanical and rheological properties of the materials. Such results suggest that the LDPE/TPS blend presents similar reprocessability to the LDPE for the experimental conditions used. Copyright © 2015 Elsevier Ltd. All rights reserved.

New crystal structures in hexagonal CuInS2 nanocrystals

NASA Astrophysics Data System (ADS)

Shen, Xiao; Hernández-Pagan, Emil A.; Zhou, Wu; Puzyrev, Yevgeniy S.; Idrobo, Juan C.; MacDonald, Janet E.; Pennycook, Stephen J.; Pantelides, Sokrates T.

2013-03-01

CuInS2 is one of the best candidate materials for solar energy harvesting. Its nanocrystals with a hexagonal lattice structure that is different from the bulk chalcopyrite phase have been synthesized by many groups. The structure of these CuInS2 nanocrystals has been previously identified as the wurtzite structure in which the copper and indium atoms randomly occupy the cation sites. Using first-principles total energy and electronic structure calculations based on density functional theory, UV-vis absorption spectroscopy, X-ray diffraction, and atomic resolution Z-contrast images obtained in an aberration-corrected scanning transmission electron microscope, we show that CuInS2 nanocrystals do not form random wurtzite structure. Instead, the CuInS2 nanocrystals consist of several wurtzite- related crystal structures with ordered cation sublattices, some of which are reported for the first time here. This work is supported by the NSF TN-SCORE (JEM), by NSF (WZ), by ORNL's Shared Research Equipment User Program (JCI) sponsored by DOE BES, by DOE BES Materials Sciences and Engineering Division (SJP, STP), and used resources of the National Energy Research Scientific Computing Center, supported by the DOE Office of Science under Contract No. DE-AC02-05CH11231.

Fabrication of Porous Ceramic-Geopolymer Based Material to Improve Water Absorption and Retention in Construction Materials: A Review

NASA Astrophysics Data System (ADS)

Jamil, N. H.; Ibrahim, W. M. A. W.; Abdullah, M. M. A. B.; Sandu, A. V.; Tahir, M. F. M.

2017-06-01

Porous ceramic nowadays has been investigated for a variety of its application such as filters, lightweight structural component and others due to their specific properties such as high surface area, stability and permeability. Besides, it has the properties of low thermal conductivity. Various formation techniques making these porous ceramic properties can be tailored or further fine-tuned to obtain the optimum characteristic. Porous materials also one of the good candidate for absorption properties. Conventional construction materials are not design to have good water absorption and retention that lead to the poor performance on these criteria. Temperature is a major driving force for moisture movement and influences sorption characteristics of many constructions materials. The effect of elevated temperatures on the water absorption coefficient and retention remain as critical issue that need to be investigated. Therefore, this paper will review the process parameters in fabricating porous ceramic for absorption properties.

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

Wang, Jing; Toloczko, Mychailo B.; Kruska, Karen

Accelerator-based ion beam irradiation techniques have been used to study radiation effects in materials for decades. Although carbon contamination induced by ion beams in target materials is a well-known issue in some material systems, it has not been fully characterized nor quantified for studies in ferritic/martensitic (F/M) steels that are candidate materials for applications such as core structural components in advanced nuclear reactors. It is an especially important issue for this class of material because of the strong effect of carbon level on precipitate formation. In this paper, the ability to quantify carbon contamination using three common techniques, namely time-of-flightmore » secondary ion mass spectroscopy (ToF-SIMS), atom probe tomography (APT), and transmission electron microscopy (TEM) is compared. Their effectiveness and shortcomings in determining carbon contamination are presented and discussed. The corresponding microstructural changes related to carbon contamination in ion irradiated F/M steels are also presented and briefly discussed.« less

Evidence for Itinerant Carriers in an Anisotropic Narrow-Gap Semiconductor by Angle-Resolved Photoemission Spectroscopy.

PubMed

Ju, Sailong; Bai, Wei; Wu, Liming; Lin, Hua; Xiao, Chong; Cui, Shengtao; Li, Zhou; Kong, Shuai; Liu, Yi; Liu, Dayong; Zhang, Guobin; Sun, Zhe; Xie, Yi

2018-01-01

The ability to accurately determine the electronic structure of solids has become a key prerequisite for modern functional materials. For example, the precise determination of the electronic structure helps to balance the three thermoelectric parameters, which is the biggest challenge to design high-performance thermoelectric materials. Herein, by high-resolution, angle-resolved photoemission spectroscopy (ARPES), the itinerant carriers in CsBi 4 Te 6 (CBT) are revealed for the first time. CBT is a typical anisotropic, narrow-gap semiconductor used as a practical candidate for low-temperature thermoelectric applications, and p-doped CBT series show superconductivity at relatively low carrier concentrations. The ARPES results show a significantly larger bandwidth near the Fermi surface than calculations, which means the carriers transport anisotropically and itinerantly in CBT. It is reasonable to believe that these newly discovered features of carriers in narrow-gap semiconductors are promising for designing optimal thermoelectric materials and superconductors. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure and transport investigations on lithium-iron-phosphate glasses

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

Banday, Azeem; Sharma, Monika; Murugavel, Sevi, E-mail: murug@physics.du.ac.in

2016-05-23

Cathode materials for Lithium Ion Batteries (LIB’s) are being constantly studied and reviewed especially in the past few decades. LiFePO{sub 4} (LFP) is one of the most potential candidates in the pedigree of cathode materials and has been under extensive study ever since. In this work, we report the synthesis of amorphous analogs of crystallite LFP by conventional melt quenching method. Thermal study by using differential scanning calorimetry (DSC) was used to determine the glass transition T{sub g} and crystallization T{sub c} temperatures on the obtained glass sample Fourier transform infrared (FTIR) absorption spectroscopy is being used to investigate themore » structural properties of the glass sample. The intrinsic electrical conductivity measurements were done using broad-band impedance spectroscopy with wide different temperature ranges. The conduction mechanism is described by non-adiabatic small polaron hopping between nearest neighbors. Based on the obtained results, we suggest that the glassy LFP is more suitable cathode material as compared to its crystalline counterpart.« less

Enhancing the Thermoelectric Figure of Merit by Low-Dimensional Electrical Transport in Phonon-Glass Crystals.

PubMed

Mi, Xue-Ya; Yu, Xiaoxiang; Yao, Kai-Lun; Huang, Xiaoming; Yang, Nuo; Lü, Jing-Tao

2015-08-12

Low-dimensional electronic and glassy phononic transport are two important ingredients of highly efficient thermoelectric materials, from which two branches of thermoelectric research have emerged. One focuses on controlling electronic transport in the low dimension, while the other focuses on multiscale phonon engineering in the bulk. Recent work has benefited much from combining these two approaches, e.g., phonon engineering in low-dimensional materials. Here we propose to employ the low-dimensional electronic structure in bulk phonon-glass crystals as an alternative way to increase the thermoelectric efficiency. Through first-principles electronic structure calculations and classical molecular dynamics simulations, we show that the π-π-stacking bis(dithienothiophene) molecular crystal is a natural candidate for such an approach. This is determined by the nature of its chemical bonding. Without any optimization of the material parameters, we obtained a maximum room-temperature figure of merit, ZT, of 1.48 at optimal doping, thus validating our idea.

Evaluation of Alkaline Cleaner Materials

NASA Technical Reports Server (NTRS)

Partz, Earl

1998-01-01

Alkaline cleaners used to process aluminum substrates have contained chromium as the corrosion inhibitor. Chromium is a hazardous substance whose use and control are described by environmental laws. Replacement materials that have the characteristics of chromated alkaline cleaners need to be found that address both the cleaning requirements and environmental impacts. This report will review environmentally friendly candidates evaluated as non-chromium alkaline cleaner replacements and methods used to compare those candidates one versus another. The report will also list characteristics used to select candidates based on their declared contents. It will also describe and evaluate methods used to discriminate among the large number of prospective candidates.

Preparation of candidate reference materials for the determination of phosphorus containing flame retardants in styrene-based polymers.

PubMed

Roth, Thomas; Urpi Bertran, Raquel; Latza, Andreas; Andörfer-Lang, Katrin; Hügelschäffer, Claudia; Pöhlein, Manfred; Puchta, Ralph; Placht, Christian; Maid, Harald; Bauer, Walter; van Eldik, Rudi

2015-04-01

Candidate reference materials (RM) for the analysis of phosphorus-based flame retardants in styrene-based polymers were prepared using a self-made mini-extruder. Due to legal requirements of the current restriction for the use of certain hazardous substances in electrical and electronic equipment, focus now is placed on phosphorus-based flame retardants instead of the brominated kind. Newly developed analytical methods for the first-mentioned substances also require RMs similar to industrial samples for validation and verification purposes. Hence, the prepared candidate RMs contained resorcinol-bis-(diphenyl phosphate), bisphenol A bis(diphenyl phosphate), triphenyl phosphate and triphenyl phosphine oxide as phosphorus-based flame retardants. Blends of polycarbonate and acrylonitrile-co-butadiene-co-styrene as well as blends of high-impact polystyrene and polyphenylene oxide were chosen as carrier polymers. Homogeneity and thermal stability of the candidate RMs were investigated. Results showed that the candidate RMs were comparable to the available industrial materials. Measurements by ICP/OES, FTIR and NMR confirmed the expected concentrations of the flame retardants and proved that analyte loss and degradation, respectively, was below the uncertainty of measurement during the extrusion process. Thus, the candidate RMs were found to be suitable for laboratory use.

Metal-insulator-semiconductor heterostructures for plasmonic hot-carrier optoelectronics.

PubMed

García de Arquer, F Pelayo; Konstantatos, Gerasimos

2015-06-01

Plasmonic hot-electron devices are attractive candidates for light-energy harvesting and photodetection applications. For solid state devices, the most compact and straightforward architecture is the metal-semiconductor Schottky junction. However convenient, this structure introduces limitations such as the elevated dark current associated to thermionic emission, or constraints for device design due to the finite choice of materials. In this work we theoretically consider the metal-insulator-semiconductor heterojunction as a candidate for plasmonic hot-carrier photodetection and solar cells. The presence of the insulating layer can significantly reduce the dark current, resulting in increased device performance with predicted solar power conversion efficiencies up to 9%. For photodetection, the sensitivity can be extended well into the infrared by a judicious choice of the insulating layer, with up to 300-fold expected enhancement in detectivity.

Prediction of the High Thermoelectric Performance of Pnictogen Dichalcogenide Layered Compounds with Quasi-One-Dimensional Gapped Dirac-like Band Dispersion

NASA Astrophysics Data System (ADS)

Ochi, Masayuki; Usui, Hidetomo; Kuroki, Kazuhiko

2017-12-01

Thermoelectric power generation has been recognized as one of the most important technologies, and high-performance thermoelectric materials have long been pursued. However, because of the large number of candidate materials, this quest is extremely challenging, and it has become clear that a firm theoretical concept from the viewpoint of band-structure engineering is needed. We theoretically demonstrate that pnictogen dichalcogenide layered compounds, which originally attracted attention as a family of superconductors and have recently been investigated as thermoelectric materials, can exhibit very high thermoelectric performance with elemental substitution. Specifically, we clarify a promising guiding principle for material design and find that LaOAsSe2, a material that has yet to be synthesized, has a power factor that is 6 times as large as that of the known compound LaOBiS2 and can exhibit a very large Z T under some plausible assumptions. This large enhancement of the thermoelectric performance originates from the quasi-one-dimensional gapped Dirac-like band dispersion, which is realized by the square-lattice network. We offer one ideal limit of the band structure for thermoelectric materials. Because our target materials have high controllability of constituent elements and feasibility of carrier doping, experimental studies along this line are eagerly awaited.

Nonlinear acoustics experimental characterization of microstructure evolution in Inconel 617

NASA Astrophysics Data System (ADS)

Yao, Xiaochu; Liu, Yang; Lissenden, Cliff J.

2014-02-01

Inconel 617 is a candidate material for the intermediate heat exchanger in a very high temperature reactor for the next generation nuclear power plant. This application will require the material to withstand fatigue-ratcheting interaction at temperatures up to 950°C. Therefore nondestructive evaluation and structural health monitoring are important capabilities. Acoustic nonlinearity (which is quantified in terms of a material parameter, the acoustic nonlinearity parameter, β) has been proven to be sensitive to microstructural changes in material. This research develops a robust experimental procedure to track the evolution of damage precursors in laboratory tested Inconel 617 specimens using ultrasonic bulk waves. The results from the acoustic non-linear tests are compared with stereoscope surface damage results. Therefore, the relationship between acoustic nonlinearity and microstructural evaluation can be clearly demonstrated for the specimens tested.

Genetic algorithm prediction of two-dimensional group-IV dioxides for dielectrics

NASA Astrophysics Data System (ADS)

Singh, Arunima K.; Revard, Benjamin C.; Ramanathan, Rohit; Ashton, Michael; Tavazza, Francesca; Hennig, Richard G.

2017-04-01

Two-dimensional (2D) materials present a new class of materials whose structures and properties can differ from their bulk counterparts. We perform a genetic algorithm structure search using density-functional theory to identify low-energy structures of 2D group-IV dioxides A O2 (A =Si , Ge, Sn, Pb). We find that 2D SiO2 is most stable in the experimentally determined bi-tetrahedral structure, while 2D SnO2 and PbO2 are most stable in the 1 T structure. For 2D GeO2, the genetic algorithm finds a new low-energy 2D structure with monoclinic symmetry. Each system exhibits 2D structures with formation energies ranging from 26 to 151 meV/atom, below those of certain already synthesized 2D materials. The phonon spectra confirm their dynamic stability. Using the HSE06 hybrid functional, we determine that the 2D dioxides are insulators or semiconductors, with a direct band gap of 7.2 eV at Γ for 2D SiO2, and indirect band gaps of 4.8-2.7 eV for the other dioxides. To guide future applications of these 2D materials in nanoelectronic devices, we determine their band-edge alignment with graphene, phosphorene, and single-layer BN and MoS2. An assessment of the dielectric properties and electrochemical stability of the 2D group-IV dioxides shows that 2D GeO2 and SnO2 are particularly promising candidates for gate oxides and 2D SnO2 also as a protective layer in heterostructure nanoelectronic devices.

Diffusion Bonding Technology of Tungsten and SiC/SiC Composites for Nuclear Applications

NASA Astrophysics Data System (ADS)

Kishimoto, Hirotatsu; Shibayama, Tamaki; Abe, Takahiro; Shimoda, Kazuya; Kawamura, Satoshi; Kohyama, Akira

2011-10-01

Silicon carbide (SiC) is a candidate for the structural material in the next generation nuclear plants. Use of SiC/SiC composites is expected to increase the operation temperature of system over 1000 °C. For the high temperature system, refractory metals are planned to be used for several components. Tungsten is a candidate of armor on the divertor component in fusion, and is planned to be used for an upper-end plug of SiC/SiC fuel pin in a Gas cooled Fast Reactor (GFR). Joining technique of the SiC/SiC composites and tungsten is an important issue for nuclear systems in future. Nano-Infiltration and Transient Eutectoid (NITE) method is able to provide dense stable and high strength SiC/SiC composites having high resistance against pressure at elevated temperature, a diffusion bonding technique is usable to join the materials. Present research produces a NITE-SiC/SiC composite and tungsten as the similar dimension as a projected cladding tube of fuel pin for GFR using diffusion bonding, and investigated microstructure and mechanical properties.

Improved ceramic heat exchanger material

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

Rauch, H.W. Sr.

Various ceramic materials in the form of small, monolithic bars were screened as candidate materials in heat exchanger structures for automotive gas turbine engines. The material finally selected consists of 60 w/o* petalite (LAS) and 40 w/o of a recrystallizable glass which converts during thermal processing to cordierite (MAS). This new material, GE-3200, was fabricated by Coors Porcelain Company into a circular honeycomb structure 53.3 cm diameter and 10.2 cm thick (21'' x 4'') and having 69.8 holes/cm/sup 2/ (450 holes/in./sup 2/) of rectangular geometry. Dimensions of each cell are about 2.5 mm x 0.5 mm (0.1'' x 0.02'') withmore » wall thicknesses about 0.20 mm (0.008''). Small bar-shaped specimens of the honeycomb were used to measure thermal, chemical, and mechanical properties and for macro- and microstructure examination. Cylindrical honeycomb specimens about 15.2 cm diameter and 10.2 in. thick (6'' x 4'') were sent to Ford Motor Company and are currently being tested in a gas turbine engine. Data obtained from testing the bar-shaped honeycomb specimens of GE-3200 and from testing bar-shaped honeycomb specimens of Corning 9455 were compared. Results indicate that GE-3200 has significantly better resistance to sulfuric acid and to sodium chloride than Corning 9455; thermal expansion of GE-3200 is higher than that of Corning 9455 (1.7 x 10/sup -6///sup 0/C vs. 0.65 x 10/sup -6///sup 0/C over the temperature range 25/sup 0/C to 1000/sup 0/C); mechanical properties of GE-3200 are higher in the tangential direction, but lower in the radial direction than Corning 9455; and during thermal cycling between R.T. 1000/sup 0/C and R.T. -1100/sup 0/C, GE-3200 tends to elongate while Corning 9455 tends to slightly contract. Overall assessment of GE-3200 properties, ease of material preparation, ready adaptability to honeycomb fabrication, and refractoriness qualify this new material as a candidate for heat exchanger application in automotive gas turbine engines.« less

Magnetic and electronic properties of the Cu-substituted Weyl semimetal candidate ZrCo₂Sn.

PubMed

Kushwaha, S K; Wang, Zhijun; Kong, Tai; Cava, Robert

2018-01-04

We report that the partial substitution of Cu for Co has a significant impact on the magnetic properties of the Heusler-phase Weyl fermion candidate ZrCo₂Sn. Polycrystalline samples of ZrCo_2-<i>x</i>Cu_<i>x</i>Sn (<i>x</i> = 0.0 to 1.0) exhibited a linearly decreasing ferromagnetic transition temperature and similarly decreasing saturated magnetic moment on increasing Cu substitution x. Materials with Cu contents near <i>x</i> = 1 and several other quaternary materials synthesized at the same <i>x</i> (ZrCo<i>T</i>'Sn (<i>T</i>' = Rh, Pd, Ni)) display what appears to be non-ferromagnetic magnetization behavior with spin glass characteristics. Electronic structure calculations suggest that the half-metallic nature of unsubstituted ZrCo₂Sn is disrupted significantly by the Cu substitutions, leading to the breakdown of the magnetization vs. electron count guidelines usually followed by Heusler phases, and a more typical metallic non-spin-polarized electronic structure at high <i>x</i>. © 2018 IOP Publishing Ltd.

Biocomposites and hybrid biomaterials based on calcium orthophosphates

PubMed Central

Dorozhkin, Sergey V.

2011-01-01

The state-of-the-art of biocomposites and hybrid biomaterials based on calcium orthophosphates that are suitable for biomedical applications is presented in this review. Since these types of biomaterials offer many significant and exciting possibilities for hard tissue regeneration, this subject belongs to a rapidly expanding area of biomedical research. Through successful combinations of the desired properties of matrix materials with those of fillers (in such systems, calcium orthophosphates might play either role), innovative bone graft biomaterials can be designed. Various types of biocomposites and hybrid biomaterials based on calcium orthophosphates, either those already in use or being investigated for biomedical applications, are extensively discussed. Many different formulations, in terms of the material constituents, fabrication technologies, structural and bioactive properties as well as both in vitro and in vivo characteristics, have already been proposed. Among the others, the nanostructurally controlled biocomposites, those containing nanodimensional compounds, biomimetically fabricated formulations with collagen, chitin and/or gelatin as well as various functionally graded structures seem to be the most promising candidates for clinical applications. The specific advantages of using biocomposites and hybrid biomaterials based on calcium orthophosphates in the selected applications are highlighted. As the way from the laboratory to the hospital is a long one, and the prospective biomedical candidates have to meet many different necessities, this review also examines the critical issues and scientific challenges that require further research and development. PMID:23507726

The role of microbial biofilms in deterioration of space station candidate materials.

PubMed

Gu, J D; Roman, M; Esselman, T; Mitchell, R

1998-01-01

Formation of microbial biofilms on surfaces of a wide range of materials being considered as candidates for use on the International Space Station was investigated. The materials included a fibre-reinforced polymeric composite, an adhesive sealant, a polyimide insulation foam, teflon cable insulation, titanium, and an aliphatic polyurethane coating. They were exposed to a natural mixed population of bacteria under controlled conditions of temperature and relative humidity (RH). Biofilms formed on the surfaces of the materials at a wide range of temperatures and RHs. The biofilm population was dominated by Pseudomonas aeruginosa, Ochrobactrum anthropi, Alcaligenes denitrificans, Xanthomonas maltophila, and Vibrio harveyi. The biocide, diiodomethyl-p-tolyl sulfone, impregnated in the polyurethane coating, was ineffective against microbial colonization and growth. Degradation of the polyurethane coatings was monitored with electrochemical impedance spectroscopy (EIS). The impedance spectra indicated that microbial degradation of the coating occurred in several stages. The initial decreases in impedance were due to the transport of water and solutes into the polymeric matrices. Further decreases were a result of polymer degradation by microorganisms. Our data showed that these candidate materials for space application are susceptible to biofilm formation and subsequent degradation. Our study suggests that candidate materials for use in space missions need to be carefully evaluated for their susceptibility to microbial biofilm formation and biodegradation.

Quasi-optic millimeter-wave device application of liquid crystal material by using porous PMMA matrix

NASA Astrophysics Data System (ADS)

Nose, T.; Watanabe, Y.; Kon, A.; Ito, R.; Honma, M.

2018-02-01

Recently, millimeter-waves (MMWs) have become indispensable for application in next-generation high-speed wireless communication i.e., 5G, in addition to conventional applications such as in automobile collision avoidance radars and airport security inspection systems. Some manageable devices to control MMW propagation will be necessary with the development of this new technology field. We believe that liquid crystal (LC) devices are one of the major candidates for such applications because it is known that LC materials are excellent electro-optic materials. However, as the wavelength of MMWs is extremely longer than the optics region, extremely thick LC layers are necessary if we choose the quasioptic approach to attain LC MMW control devices. Therefore, we adopt a PDLC structure to attain the extremely thick LC layers by using porous (polymethyl methacrylate) PMMA materials, which can be easily obtained using a solvent consisting of a mixture of ethanol/water and a little heating. In this work, we focus on Fresnel lens, which is an important quasi-optic device for MMW application, to introduce a tunable property by using LC materials. Here, we adopt the thin film deposition method to obtain a porous PMMA matrix with the aim of obtaining final composite structure based on the Fresnel substrate. First, the fundamental material properties of porous PMMA are investigated to control the microscopic porous structure. Then, the LC-MMW Fresnel lens substrate is prepared using a 3D printer, and the fundamental MMW focusing properties of the prototype composite Fresnel structure are investigated.

TESTING OF TMR SAND MANTIS FINAL REPORT

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

Krementz, D; William Daugherty, W

2007-06-12

Screening tests of Sand Mantis candidate materials selected for erosion resistance have been completed. The results of this testing identified that over a relatively short period of operation (<1 hour), measurable erosion will occur in each of the candidate zoom tube materials given equal operating exposure. Additionally, this testing has shown that erosion of the rubber discharge hose directly downstream of the vehicle could be expected to limit the service life of the discharge hose. On the basis of these test results, SRNL recommends the following; {lg_bullet} redesign of critical system components (e.g., zoom tube, discharge hose) should be conductedmore » to improve system characteristics relative to erosion and capitalize on the results of this testing, {lg_bullet} continued efforts to deploy the Sand Mantis should include testing to better define and optimize operating parameters, and gain an understanding of system dynamics, {lg_bullet} discontinue wear testing with the selected materials pending redesign of critical system components (1st recommendation) and inclusion of other candidate materials. The final selection of additional candidate materials should be made following design changes, but might include a Stellite alloy or zirconia.« less

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

PubMed Central

Kusne, Aaron Gilad; Gao, Tieren; Mehta, Apurva; Ke, Liqin; Nguyen, Manh Cuong; Ho, Kai-Ming; Antropov, Vladimir; Wang, Cai-Zhuang; Kramer, Matthew J.; Long, Christian; Takeuchi, Ichiro

2014-01-01

Advanced materials characterization techniques with ever-growing data acquisition speed and storage capabilities represent a challenge in modern materials science, and new procedures to quickly assess and analyze the data are needed. Machine learning approaches are effective in reducing the complexity of data and rapidly homing in on the underlying trend in multi-dimensional data. Here, we show that by employing an algorithm called the mean shift theory to a large amount of diffraction data in high-throughput experimentation, one can streamline the process of delineating the structural evolution across compositional variations mapped on combinatorial libraries with minimal computational cost. Data collected at a synchrotron beamline are analyzed on the fly, and by integrating experimental data with the inorganic crystal structure database (ICSD), we can substantially enhance the accuracy in classifying the structural phases across ternary phase spaces. We have used this approach to identify a novel magnetic phase with enhanced magnetic anisotropy which is a candidate for rare-earth free permanent magnet. PMID:25220062

Three-dimensional core-shell Fe2O3 @ carbon/carbon cloth as binder-free anode for the high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Wang, Xiaohua; Zhang, Miao; Liu, Enzuo; He, Fang; Shi, Chunsheng; He, Chunnian; Li, Jiajun; Zhao, Naiqin

2016-12-01

A facile and scalable strategy is developed to fabricate three dimensional core-shell Fe2O3 @ carbon/carbon cloth structure by simple hydrothermal route as binder-free lithium-ion battery anode. In the unique structure, carbon coated Fe2O3 nanorods uniformly disperse on carbon cloth which forms the conductive carbon network. The hierarchical porous Fe2O3 nanorods in situ grown on the carbon cloth can effectively shorten the transfer paths of lithium ions and reduce the contact resistance. The carbon coating significantly inhibits pulverization of active materials during the repeated Li-ion insertion/extraction, as well as the direct exposure of Fe2O3 to the electrolyte. Benefiting from the structural integrity and flexibility, the nanocomposites used as binder-free anode for lithium-ion batteries, demonstrate high reversible capacity and excellent cyclability. Moreover, this kind of material represents an alternative promising candidate for flexible, cost-effective, and binder-free energy storage devices.

Structural, Electronic, and Electrochemical Properties of LixCo[Fe(CN)6]0.902.9H2O

NASA Astrophysics Data System (ADS)

Takachi, Masamitsu; Matsuda, Tomoyuki; Moritomo, Yutaka

2013-04-01

Prussian blue analogues with jungle-gym-type structure are promising candidates for cathode materials of the lithium-ion secondary battery (LIB). Here, we investigated the structural, electronic, and electrochemical properties of cobalt hexacyanoferrate, LixCo[Fe(CN)6]0.902.9H2O, against Li concentration (x). The capacity (= 139 mAh/g) of the thin-film electrode was close to the ideal value (= 132 mAh/g) for the two-electron reaction. The discharge curve exhibits three plateaus, i.e., plateaus I, II, and III. The material exhibits a first-order phase transition accompanied by significant volume expansion by 7% at the boundary between plateaus II and III. Ex situ X-ray absorption spectroscopy (XAS) indicates that the discharge processes of plateaus I, II, and III are ascribed to the reduction processes of Fe3+, Co3+, and Fe3+, respectively. The rate (r) and cycle (n) dependence of the electrode performance will be discussed in terms of the reduction processes.

Vibration Damping Analysis of Lightweight Structures in Machine Tools

PubMed Central

Aggogeri, Francesco; Borboni, Alberto; Merlo, Angelo; Pellegrini, Nicola; Ricatto, Raffaele

2017-01-01

The dynamic behaviour of a machine tool (MT) directly influences the machining performance. The adoption of lightweight structures may reduce the effects of undesired vibrations and increase the workpiece quality. This paper aims to present and compare a set of hybrid materials that may be excellent candidates to fabricate the MT moving parts. The selected materials have high dynamic characteristics and capacity to dampen mechanical vibrations. In this way, starting from the kinematic model of a milling machine, this study evaluates a number of prototypes made of Al foam sandwiches (AFS), Al corrugated sandwiches (ACS) and composite materials reinforced by carbon fibres (CFRP). These prototypes represented the Z-axis ram of a commercial milling machine. The static and dynamical properties have been analysed by using both finite element (FE) simulations and experimental tests. The obtained results show that the proposed structures may be a valid alternative to the conventional materials of MT moving parts, increasing machining performance. In particular, the AFS prototype highlighted a damping ratio that is 20 times greater than a conventional ram (e.g., steel). Its application is particularly suitable to minimize unwanted oscillations during high-speed finishing operations. The results also show that the CFRP structure guarantees high stiffness with a weight reduced by 48.5%, suggesting effective applications in roughing operations, saving MT energy consumption. The ACS structure has a good trade-off between stiffness and damping and may represent a further alternative, if correctly evaluated. PMID:28772653

Thermal Characterization of Nanostructures and Advanced Engineered Materials

NASA Astrophysics Data System (ADS)

Goyal, Vivek Kumar

Continuous downscaling of Si complementary metal-oxide semiconductor (CMOS) technology and progress in high-power electronics demand more efficient heat removal techniques to handle the increasing power density and rising temperature of hot spots. For this reason, it is important to investigate thermal properties of materials at nanometer scale and identify materials with the extremely large or extremely low thermal conductivity for applications as heat spreaders or heat insulators in the next generation of integrated circuits. The thin films used in microelectronic and photonic devices need to have high thermal conductivity in order to transfer the dissipated power to heat sinks more effectively. On the other hand, thermoelectric devices call for materials or structures with low thermal conductivity because the performance of thermoelectric devices is determined by the figure of merit Z=S2sigma/K, where S is the Seebeck coefficient, K and sigma are the thermal and electrical conductivity, respectively. Nanostructured superlattices can have drastically reduced thermal conductivity as compared to their bulk counterparts making them promising candidates for high-efficiency thermoelectric materials. Other applications calling for thin films with low thermal conductivity value are high-temperature coatings for engines. Thus, materials with both high thermal conductivity and low thermal conductivity are technologically important. The increasing temperature of the hot spots in state-of-the-art chips stimulates the search for innovative methods for heat removal. One promising approach is to incorporate materials, which have high thermal conductivity into the chip design. Two suitable candidates for such applications are diamond and graphene. Another approach is to integrate the high-efficiency thermoelectric elements for on-spot cooling. In addition, there is strong motivation for improved thermal interface materials (TIMs) for heat transfer from the heat-generating chip to heat-sinking units. This dissertation presents results of the experimental investigation and theoretical interpretation of thermal transport in the advanced engineered materials, which include thin films for thermal management of nanoscale devices, nanostructured superlattices as promising candidates for high-efficiency thermoelectric materials, and improved TIMs with graphene and metal particles as fillers providing enhanced thermal conductivity. The advanced engineered materials studied include chemical vapor deposition (CVD) grown ultrananocrystalline diamond (UNCD) and microcrystalline diamond (MCD) films on Si substrates, directly integrated nanocrystalline diamond (NCD) films on GaN, free-standing polycrystalline graphene (PCG) films, graphene oxide (GOx) films, and "pseudo-superlattices" of the mechanically exfoliated Bi2Te3 topological insulator films, and thermal interface materials (TIMs) with graphene fillers.

Synthesis and interface characterization of CNTs on graphene

NASA Astrophysics Data System (ADS)

Zhou, Changjian; Senegor, Richard; Baron, Zachary; Chen, Yihan; Raju, Salahuddin; Vyas, Anshul A.; Chan, Mansun; Chai, Yang; Yang, Cary Y.

2017-02-01

Carbon nanotubes (CNTs) and graphene are potential candidates for future interconnect materials. CNTs are promising on-chip via interconnect materials due to their readily formed vertical structures, their current-carrying capacity, which is much larger than existing on-chip interconnect materials such as copper and tungsten, and their demonstrated ability to grow in patterned vias with sub-50 nm widths; meanwhile, graphene is suitable for horizontal interconnects. However, they both present the challenge of having high-resistance contacts with other conductors. An all-carbon structure is proposed in this paper, which can be formed using the same chemical vapor deposition method for both CNTs and graphene. Vertically aligned CNTs are grown directly on graphene with an Fe or Ni catalyst. The structural characteristics of the graphene and the grown CNTs are analyzed using Raman spectroscopy and electron microscopy techniques. The CNT-graphene interface is studied in detail using transmission electron microscopic analysis of the CNT-graphene heterostructure, which suggests C-C bonding between the two materials. Electrical measurement results confirm the existence of both a lateral conduction path within graphene and a vertical conduction path in the CNT-graphene heterostructure, giving further support to the C-C bonding at the CNT-graphene interface and resulting in potential applications for all-carbon interconnects.

Doping of two-dimensional MoS2 by high energy ion implantation

NASA Astrophysics Data System (ADS)

Xu, Kang; Zhao, Yuda; Lin, Ziyuan; Long, Yan; Wang, Yi; Chan, Mansun; Chai, Yang

2017-12-01

Two-dimensional (2D) materials have been demonstrated to be promising candidates for next generation electronic circuits. Analogues to conventional Si-based semiconductors, p- and n-doping of 2D materials are essential for building complementary circuits. Controllable and effective doping strategies require large tunability of the doping level and negligible structural damage to ultrathin 2D materials. In this work, we demonstrate a doping method utilizing a conventional high-energy ion-implantation machine. Before the implantation, a Polymethylmethacrylate (PMMA) protective layer is used to decelerate the dopant ions and minimize the structural damage to MoS2, thus aggregating the dopants inside MoS2 flakes. By optimizing the implantation energy and fluence, phosphorus dopants are incorporated into MoS2 flakes. Our Raman and high-resolution transmission electron microscopy (HRTEM) results show that only negligibly structural damage is introduced to the MoS2 lattice during the implantation. P-doping effect by the incorporation of p+ is demonstrated by Photoluminescence (PL) and electrical characterizations. Thin PMMA protection layer leads to large kinetic damage but also a more significant doping effect. Also, MoS2 with large thickness shows less kinetic damage. This doping method makes use of existing infrastructures in the semiconductor industry and can be extended to other 2D materials and dopant species as well.

Synthesis and interface characterization of CNTs on graphene.

PubMed

Zhou, Changjian; Senegor, Richard; Baron, Zachary; Chen, Yihan; Raju, Salahuddin; Vyas, Anshul A; Chan, Mansun; Chai, Yang; Yang, Cary Y

2017-02-03

Carbon nanotubes (CNTs) and graphene are potential candidates for future interconnect materials. CNTs are promising on-chip via interconnect materials due to their readily formed vertical structures, their current-carrying capacity, which is much larger than existing on-chip interconnect materials such as copper and tungsten, and their demonstrated ability to grow in patterned vias with sub-50 nm widths; meanwhile, graphene is suitable for horizontal interconnects. However, they both present the challenge of having high-resistance contacts with other conductors. An all-carbon structure is proposed in this paper, which can be formed using the same chemical vapor deposition method for both CNTs and graphene. Vertically aligned CNTs are grown directly on graphene with an Fe or Ni catalyst. The structural characteristics of the graphene and the grown CNTs are analyzed using Raman spectroscopy and electron microscopy techniques. The CNT-graphene interface is studied in detail using transmission electron microscopic analysis of the CNT-graphene heterostructure, which suggests C-C bonding between the two materials. Electrical measurement results confirm the existence of both a lateral conduction path within graphene and a vertical conduction path in the CNT-graphene heterostructure, giving further support to the C-C bonding at the CNT-graphene interface and resulting in potential applications for all-carbon interconnects.

Lagrangian motion, coherent structures, and lines of persistent material strain.

PubMed

Samelson, R M

2013-01-01

Lagrangian motion in geophysical fluids may be strongly influenced by coherent structures that support distinct regimes in a given flow. The problems of identifying and demarcating Lagrangian regime boundaries associated with dynamical coherent structures in a given velocity field can be studied using approaches originally developed in the context of the abstract geometric theory of ordinary differential equations. An essential insight is that when coherent structures exist in a flow, Lagrangian regime boundaries may often be indicated as material curves on which the Lagrangian-mean principal-axis strain is large. This insight is the foundation of many numerical techniques for identifying such features in complex observed or numerically simulated ocean flows. The basic theoretical ideas are illustrated with a simple, kinematic traveling-wave model. The corresponding numerical algorithms for identifying candidate Lagrangian regime boundaries and lines of principal Lagrangian strain (also called Lagrangian coherent structures) are divided into parcel and bundle schemes; the latter include the finite-time and finite-size Lyapunov exponent/Lagrangian strain (FTLE/FTLS and FSLE/FSLS) metrics. Some aspects and results of oceanographic studies based on these approaches are reviewed, and the results are discussed in the context of oceanographic observations of dynamical coherent structures.

Uncertainties in the Thermal and Mechanical Properties of Particulate Composites Quantified

NASA Technical Reports Server (NTRS)

Murthy, Pappu L. N.; Mital, Subodh K.

2001-01-01

Particle-reinforced composites are candidate materials for a wide variety of aerospace and nonaerospace applications. The high costs and technical difficulties involved with the use of many fiber-reinforced composites often limit their use in many applications. Consequently, particulate composites have emerged as viable alternatives to conventional fiber-reinforced composites. Particulate composites can be processed to near net shapepotentially reducing the manufacturing costs. They are candidate materials where shock or impact properties are important. For example, particle-reinforced metal matrix composites have shown great potential for many automotive applications. Typically, these materials are aluminum matrix reinforced with SiC or TiC particles. Reinforced concrete can also be thought of as a particle-reinforced composite. In situ ceramics can be modeled as particulate composites and are candidate materials for many high-temperature applications. The characterization of these materials is fundamental to their reliable use. It has been observed that the overall properties of these composites exhibit scatter because of the uncertainty in the constituent material properties, and fabrication-related parameters.

Investigation of materials for inert electrodes in aluminum electrodeposition cells

NASA Astrophysics Data System (ADS)

Haggerty, J. S.; Sadoway, D. R.

1987-09-01

Work was divided into major efforts. The first was the growth and characterization of specimens; the second was Hall cell performance testing. Cathode and anode materials were the subject of investigation. Preparation of specimens included growth of single crystals and synthesis of ultra high purity powders. Special attention was paid to ferrites as they were considered to be the most promising anode materials. Ferrite anode corrosion rates were studied and the electrical conductivities of a set of copper-manganese ferrites were measured. Float Zone, Pendant Drop Cryolite Experiments were undertaken because unsatisfactory choices of candidate materials were being made on the basis of a flawed set of selection criteria applied to an incomplete and sometimes inaccurate data base. This experiment was then constructed to determine whether the apparatus used for float zone crystal growth could be adapted to make a variety of important based melts and their interactions with candidate inert anode materials. Compositions), driven by our perception that the basis for prior selection of candidate materials was inadequate. Results are presented.

Effects of crystal structure and composition on the photocatalytic performance of Ta-O-N functional materials.

PubMed

Liu, Qing-Lu; Zhao, Zong-Yan; Yi, Jian-Hong

2018-05-07

For photocatalytic applications, the response of a material to the solar spectrum and its redox capabilities are two important factors determined by the band gap and band edge position of the electronic structure of the material. The crystal structure and composition of the photocatalyst are fundamental for determining the above factors. In this article, we examine the functional material Ta-O-N as an example of how to discuss relationships among these factors in detail with the use of theoretical calculations. To explore how the crystal structure and composition influence the photocatalytic performance, two groups of Ta-O-N materials were considered: the first group included ε-Ta 2 O 5 , TaON, and Ta 3 N 5 ; the second group included β-Ta 2 O 5 , δ-Ta 2 O 5 , ε-Ta 2 O 5 , and amorphous-Ta 2 O 5 . Calculation results indicated that the band gap and band edge position are determined by interactions between the atomic core and valence electrons, the overlap of valence electronic states, and the localization of valence states. Ta 3 N 5 and TaON are suitable candidates for efficient photocatalysts owing to their photocatalytic water-splitting ability and good utilization efficiency of solar energy. δ-Ta 2 O 5 has a strong oxidation potential and a band gap suitable for absorbing visible light. Thus, it can be applied to photocatalytic degradation of most pollutants. Although a-Ta 2 O 5 , ε-Ta 2 O 5 , and β-Ta 2 O 5 cannot be directly used as photocatalysts, they can still be applied to modify conventional Ta-O-N photocatalysts, owing to their similar composition and structure. These calculation results will be helpful as reference data for analyzing the photocatalytic performance of more complicated Ta-O-N functional materials. On the basis of these findings, one could design novel Ta-O-N functional materials for specific photocatalytic applications by tuning the composition and crystal structure.

Structure - Property Relationships of Furanyl Thermosetting Polymer Materials Derived from Biobased Feedstocks

NASA Astrophysics Data System (ADS)

Hu, Fengshuo

Biobased thermosetting polymers have drawn significant attention due to their potential positive economic and ecological impacts. New materials should mimic the rigid, phenylic structures of incumbent petroleum-based thermosetting monomers and possess superior thermal and mechanical properties. Furans and triglycerides derived from cellulose, hemicellulose and plant oils are promising candidates for preparing such thermosetting materials. In this work, furanyl diepoxies, diamines and di-vinyl esters were synthesized using biobased furanyl materials, and their thermal and mechanical properties were investigated using multiple techniques. The structure versus property relationship showed that, compared with the prepared phenylic analogues, biobased furanyl thermosetting materials possess improved glassy storage modulus (E '), advanced fracture toughness, superior high-temperature char yield and comparable glass transition temperature (Tg) properties. An additive molar function analysis of the furanyl building block to the physical properties, such as Tg and density, of thermosetting polymers was performed. The molar glass transition function value (Yg) and molar volume increment value (Va,i) of the furanyl building block were obtained. Biobased epoxidized soybean oil (ESO) was modified using different fatty acids at varying molar ratios, and these prepared materials dramatically improved the critical strain energy release rate (G1c) and the critical stress intensity factor (K1c) values of commercial phenylic epoxy resins, without impairing their Tg and E ' properties. Overall, it was demonstrated that biobased furans and triglycerides possess promising potential for use in preparing high-performance thermosetting materials, and the established methodologies in this work can be utilized to direct the preparation of thermosetting materials with thermal and mechanical properties desired for practical applications.

Two-Dimensional Porous Carbon: Synthesis and Ion-Transport Properties.

PubMed

Zheng, Xiaoyu; Luo, Jiayan; Lv, Wei; Wang, Da-Wei; Yang, Quan-Hong

2015-09-23

Their chemical stability, high specific surface area, and electric conductivity enable porous carbon materials to be the most commonly used electrode materials for electrochemical capacitors (also known as supercapacitors). To further increase the energy and power density, engineering of the pore structures with a higher electrochemical accessible surface area, faster ion-transport path and a more-robust interface with the electrolyte is widely investigated. Compared with traditional porous carbons, two-dimensional (2D) porous carbon sheets with an interlinked hierarchical porous structure are a good candidate for supercapacitors due to their advantages in high aspect ratio for electrode packing and electron transport, hierarchical pore structures for ion transport, and short ion-transport length. Recent progress on the synthesis of 2D porous carbons is reported here, along with the improved electrochemical behavior due to enhanced ion transport. Challenges for the controlled preparation of 2D porous carbons with desired properties are also discussed; these require precise tuning of the hierarchical structure and a clarification of the formation mechanisms. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fabrication of bristlegrass-like VO2 (B)-ZnO heteroarchitectures as anode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Ma, Yining; Li, Wenjing; Ji, Shidong; Zhou, Huaijuan; Li, Rong; Li, Ning; Yao, Heliang; Cao, Xun; Jin, Ping

2017-08-01

Three-dimensional bristlegrass-like hierarchical VO2 (B)-ZnO heteroarchitectures with ZnO nanorods grown radially on VO2 (B) nanorods were successfully fabricated via a simple two-step synthesized method. When applied as an anode material for lithium-ion batteries, the VO2 (B)-ZnO hybrid electrode exhibited high reversible capacity and excellent recyclability, which could be originated from the unique hierarchical structure of the bristlegrass. After 80 cycles, the nanocomposite still maintained a higher reversible capacity of 329.4 mA h g-1 at a current density of 50 mA g-1. Therefore, the particular architecture of VO2 (B)-ZnO nanocomposite can be a promising candidate as the anode material in lithium-ion batteries.

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

Wei, Xiaoliang; Pan, Wenxiao; Duan, Wentao

Redox flow batteries are propitious stationary energy storage technologies with exceptional scalability and flexibility to improve the stability, efficiency and sustainability of our power grid. The redox-active materials are the central component to RFBs for achieving high energy density and good cyclability. Traditional inorganic-based materials encounter critical technical and economic limitations such as low solubility, inferior electrochemical activity, and high cost. Redox-active organic materials (ROMs) are promising alternative “green” candidates to push the boundaries of energy storage because of the significant advantages of molecular diversity, structural tailorability, and natural abundance. Here the recent development of a variety of ROM familiesmore » and associated battery designs in both aqueous and nonaqueous electrolytes are reviewed. Moreover, the critical challenges and potential research opportunities for developing practically relevant organic flow batteries are discussed.« less

Non-water-ice constituents in the surface material of the icy Galilean satellites from the Galileo near-infrared mapping spectrometer investigation

USGS Publications Warehouse

McCord, T.B.; Hansen, G.B.; Clark, R.N.; Martin, P.D.; Hibbitts, C.A.; Fanale, F.P.; Granahan, J.C.; Segura, M.; Matson, D.L.; Johnson, T.V.; Carlson, R.W.; Smythe, W.D.; Danielson, G.E.

1998-01-01

We present evidence for several non-ice constituents in the surface material of the icy Galilean satellites, using the reflectance spectra returned by the Galileo near infrared mapping spectrometer (NIMS) experiment. Five new absorption features are described at 3.4, 3.88, 4.05, 4.25, and 4.57 ??m for Callisto and Ganymede, and some seem to exist for Europa as well. The four absorption bands strong enough to be mapped on Callisto and Ganymede are each spatially distributed in different ways, indicating different materials are responsible for each absorption. The spatial distributions are correlated at the local level in complex ways with surface features and in some cases show global patterns. Suggested candidate spectrally active groups, perhaps within larger molecules, producing the five absorptions include C-H, S-H, SO2, CO2, and C???N. Organic material like tholins are candidates for the 4.57- and 3.4-??m features. We suggest, based on spectroscopic evidence, that CO2 is present as a form which does not allow rotational modes and that SO2 is present neither as a frost nor a free gas. The CO2, SO2, and perhaps cyanogen (4.57 ??m) may be present as very small collections of molecules within the crystal structure, perhaps following models for radiation damage and/or for comet and interstellar grain formation at low temperatures. Some of the dark material on these surfaces may be created by radiation damage of the CO2 and other carbon-bearing species and the formation of graphite. These spectra suggest a complex chemistry within the surface materials and an important role for non-ice materials in the evolution of the satellite surfaces. Copyright 1998 by the American Geophysical Union.

Plasma-Sprayed Refractory Oxide Coatings on Silicon-Base Ceramics

NASA Technical Reports Server (NTRS)

Tewari, Surendra

1997-01-01

Silicon-base ceramics are promising candidate materials for high temperature structural applications such as heat exchangers, gas turbines and advanced internal combustion engines. Composites based on these materials are leading candidates for combustor materials for HSCT gas turbine engines. These materials possess a combination of excellent physical and mechanical properties at high temperatures, for example, high strength, high toughness, high thermal shock resistance, high thermal conductivity, light weight and excellent oxidation resistance. However, environmental durability can be significantly reduced in certain conditions such as when molten salts, H2 or water vapor are present. The oxidation resistance of silicon-base materials is provided by SiO2 protective layer. Molten salt reacts with SiO2 and forms a mixture of SiO2 and liquid silicate at temperatures above 800C. Oxygen diffuses more easily through the chemically altered layer, resulting in a catastrophic degradation of the substrate. SiC and Si3N4 are not stable in pure H2 and decompose to silicon and gaseous species such as CH4, SiH, SiH4, N2, and NH3. Water vapor is known to slightly increase the oxidation rate of SiC and Si3N4. Refractory oxides such as alumina, yttria-stabilized zirconia, yttria and mullite (3Al2O3.2SiO2) possess excellent environmental durability in harsh conditions mentioned above. Therefore, refractory oxide coatings on silicon-base ceramics can substantially improve the environmental durability of these materials by acting as a chemical reaction barrier. These oxide coatings can also serve as a thermal barrier. The purpose of this research program has been to develop refractory oxide chemical/thermal barrier coatings on silicon-base ceramics to provide extended temperature range and lifetime to these materials in harsh environments.

Micro-engineered first wall tungsten armor for high average power laser fusion energy systems

NASA Astrophysics Data System (ADS)

Sharafat, Shahram; Ghoniem, Nasr M.; Anderson, Michael; Williams, Brian; Blanchard, Jake; Snead, Lance; HAPL Team

2005-12-01

The high average power laser program is developing an inertial fusion energy demonstration power reactor with a solid first wall chamber. The first wall (FW) will be subject to high energy density radiation and high doses of high energy helium implantation. Tungsten has been identified as the candidate material for a FW armor. The fundamental concern is long term thermo-mechanical survivability of the armor against the effects of high temperature pulsed operation and exfoliation due to the retention of implanted helium. Even if a solid tungsten armor coating would survive the high temperature cyclic operation with minimal failure, the high helium implantation and retention would result in unacceptable material loss rates. Micro-engineered materials, such as castellated structures, plasma sprayed nano-porous coatings and refractory foams are suggested as a first wall armor material to address these fundamental concerns. A micro-engineered FW armor would have to be designed with specific geometric features that tolerate high cyclic heating loads and recycle most of the implanted helium without any significant failure. Micro-engineered materials are briefly reviewed. In particular, plasma-sprayed nano-porous tungsten and tungsten foams are assessed for their potential to accommodate inertial fusion specific loads. Tests show that nano-porous plasma spray coatings can be manufactured with high permeability to helium gas, while retaining relatively high thermal conductivities. Tungsten foams where shown to be able to overcome thermo-mechanical loads by cell rotation and deformation. Helium implantation tests have shown, that pulsed implantation and heating releases significant levels of implanted helium. Helium implantation and release from tungsten was modeled using an expanded kinetic rate theory, to include the effects of pulsed implantations and thermal cycles. Although, significant challenges remain micro-engineered materials are shown to constitute potential candidate FW armor materials.

Unveiling the Structural Evolution of Ag 1.2Mn 8O 16 under Coulombically Controlled (De)Lithiation

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

Huang, Jianping; Hu, Xiaobing; Brady, Alexander B.

MnO 2 materials are considered promising cathode materials for rechargeable lithium, sodium, and magnesium batteries due to their earth abundance and environmental friendliness. One polymorph of MnO 2, α-MnO 2, has 2 × 2 tunnels (4.6 Å × 4.6 Å) in its structural framework, which provide facile diffusion pathways for guest ions. In this work, a silver-ion-containing α-MnO 2 (Ag 1.2Mn 8O 16) is examined as a candidate cathode material for Li based batteries. Electrochemical stability of Ag 1.2Mn 8O 16 is investigated through Coulombically controlled reduction under 2 or 4 molar electron equivalents (e.e.). Terminal discharge voltage remains almostmore » constant under 2 e.e. of cycling, whereas it continuously decreases under repetitive reduction by 4 e.e. Thus, detailed structural analyses were utilized to investigate the structural evolution upon lithiation. Significant increases in lattice a (17.7%) and atomic distances (~4.8%) are observed when x in Li xAg 1.2Mn 8O 16 is >4. Ag metal forms at this level of lithiation concomitant with a large structural distortion to the Mn–O framework. In contrast, lattice a only expands by 2.2% and Mn–O/Mn-Mn distances show minor changes (~1.4%) at x < 2. The structural deformation (tunnel breakage) at x > 4 inhibits the recovery of the original structure, leading to poor cycle stability at high lithiation levels. This report establishes the correlation among local structure changes, amorphization processes, formation of Ag 0, and long-term cycle stability for this silver-containing α-MnO 2 type material at both low and high lithiation levels.« less

Unveiling the Structural Evolution of Ag 1.2Mn 8O 16 under Coulombically Controlled (De)Lithiation

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

Huang, Jianping; Hu, Xiaobing; Brady, Alexander B.

MnO 2 materials are considered promising cathode materials for rechargeable lithium, sodium, and magnesi-um batteries due to their earth abundance and environmental friendliness. One polymorph of MnO 2, α-MnO 2, has 2×2 tunnels (4.6 Å × 4.6 Å) in its structural framework, which provide facile diffusion pathways for guest ions. In this work, a silver ion containing α-MnO 2 (Ag 1.2Mn 8O 16) is examined as a candidate cathode material for Li based batteries. Electro-chemical stability of Ag 1.2Mn 8O 16 is investigated through Coulombically controlled reduction under 2 or 4 molar electron equivalents (e.e.). Terminal discharge voltage remains almostmore » constant under 2 e.e. of cycling, whereas it continuously decreases under repetitive reduction by 4 e.e. Thus, detailed structural analyses were utilized to investigate the structural evolution upon lithiation. Significant increases in lattice a (17.7 %) and atomic distances (~4.8 %) are observed when x in Li xAg 1.2Mn 8O 16 is >4. Ag metal forms at this level of lithiation concomitant with a large structural distortion to the Mn-O framework. In contrast, lattice a only expands by 2.2 % and Mn-O/Mn-Mn distances show minor changes (~1.4 %) at x <2. The structural deformation (tunnel breakage) at x >4 inhibits the recovery of the original structure, leading to poor cycle stability at high lithiation levels. This report establishes the correlation among local structure changes, amorphization processes, formation of Ag 0 and long term cycle stability for this silver containing α-MnO 2 type material at both low and high lithiation levels.« less

Unveiling the Structural Evolution of Ag 1.2Mn 8O 16 under Coulombically Controlled (De)Lithiation

DOE PAGES

Huang, Jianping; Hu, Xiaobing; Brady, Alexander B.; ...

2017-12-17

MnO 2 materials are considered promising cathode materials for rechargeable lithium, sodium, and magnesi-um batteries due to their earth abundance and environmental friendliness. One polymorph of MnO 2, α-MnO 2, has 2×2 tunnels (4.6 Å × 4.6 Å) in its structural framework, which provide facile diffusion pathways for guest ions. In this work, a silver ion containing α-MnO 2 (Ag 1.2Mn 8O 16) is examined as a candidate cathode material for Li based batteries. Electro-chemical stability of Ag 1.2Mn 8O 16 is investigated through Coulombically controlled reduction under 2 or 4 molar electron equivalents (e.e.). Terminal discharge voltage remains almostmore » constant under 2 e.e. of cycling, whereas it continuously decreases under repetitive reduction by 4 e.e. Thus, detailed structural analyses were utilized to investigate the structural evolution upon lithiation. Significant increases in lattice a (17.7 %) and atomic distances (~4.8 %) are observed when x in Li xAg 1.2Mn 8O 16 is >4. Ag metal forms at this level of lithiation concomitant with a large structural distortion to the Mn-O framework. In contrast, lattice a only expands by 2.2 % and Mn-O/Mn-Mn distances show minor changes (~1.4 %) at x <2. The structural deformation (tunnel breakage) at x >4 inhibits the recovery of the original structure, leading to poor cycle stability at high lithiation levels. This report establishes the correlation among local structure changes, amorphization processes, formation of Ag 0 and long term cycle stability for this silver containing α-MnO 2 type material at both low and high lithiation levels.« less

Selecting candidate structures for lithium treatment : what to provide the petrographer along with concrete specimens : tech brief.

DOT National Transportation Integrated Search

2006-02-01

The process of selecting candidate structures (and : appropriate components of structures) for lithium treatment : invariably involves sampling one or several components : of the structures for laboratory investigations, particularly : petrographic e...

All MBE grown InAs/GaAs quantum dot lasers on on-axis Si (001).

PubMed

Kwoen, Jinkwan; Jang, Bongyong; Lee, Joohang; Kageyama, Takeo; Watanabe, Katsuyuki; Arakawa, Yasuhiko

2018-04-30

Directly grown III-V quantum dot (QD) laser on on-axis Si (001) is a good candidate for achieving monolithically integrated Si photonics light source. Nowadays, laser structures containing high quality InAs / GaAs QD are generally grown by molecular beam epitaxy (MBE). However, the buffer layer between the on-axis Si (001) substrate and the laser structure are usually grown by metal-organic chemical vapor deposition (MOCVD). In this paper, we demonstrate all MBE grown high-quality InAs/GaAs QD lasers on on-axis Si (001) substrates without using patterning and intermediate layers of foreign material.

Car-Parrinello molecular dynamics study of the charge-discharge cycle in lithium-ion battery materials

NASA Astrophysics Data System (ADS)

Kung, Y. F.; Jia, C. J.; Gent, W. E.; Lee, I.; Moritz, B.; Devereaux, T. P.

Lithium-ion transition metal oxide compounds have shown great potential for use as battery electrodes. However, the underlying structural modifications which accompany delithiation during battery charging remain less well understood. Formation of peroxide-like species and cation migration between layers comprise two promising candidates for describing numerous experimental observations. Taking Li2RuO3 as a model system, we use Car-Parrinello molecular dynamics to examine the structural changes that occur during delithiation and lithiation. We compare our results to existing experimental observations in other compounds and provide guidance for future experiments, including resonant inelastic x-ray scattering (RIXS).

Combinatorial development of Cu2SnS3 as an earth abundant photovoltaic absorber

NASA Astrophysics Data System (ADS)

Baranowski, Lauryn L.

The development of high efficiency, earth abundant photovoltaic absorbers is critical if photovoltaics are to be implemented on the TW scale. Although traditional thin films absorbers such as Cu(In,Ga)Se2 and CdTe have achieved over 20% device efficiencies, the ultimately scalability of these devices may be limited by elemental scarcity and toxicity issues. To date, the most successful earth abundant thin film absorber is Cu2ZnSn(S,Se) 4, which has achieved 12.6% efficiency as of 2014. However, chemical complexity and disorder issues with this material have made the path to higher efficiency CZTSSe devices unclear. As a result, many researchers are now exploring alternative earth abundant absorber materials. In this thesis, we apply our "rapid development" methodology to the exploration of alternative photovoltaic absorbers. The rapid development (RD) methodology, consisting of exploration, research, and development stages, uses complementary theory and experiment to assess candidate materials and down-select in each stage. The overall result is that, in the time span of ~2-3 years, we are able to rapidly go from tens of possible absorber materials to 1-2 working PV device prototypes. Here, we demonstrate the RD approach as applied to the Cu-Sn-S system. We begin our investigation of the Cu-Sn-S system by evaluating the thermodynamic stability, electrical transport, electronic structure, and optical and defect properties of candidate materials using complementary theory and experiment. We find that Cu2SnS3 is the most promising absorber candidate because of its strong optical absorption, tunable doping, and wide stability range. Our other candidate compounds suffer from serious flaws that preclude them from being successful photovoltaic absorbers, including too high experimental conductivity (Cu4SnS4), or poor hole transport and low absorption coefficient (Cu4Sn7S16). Next, we investigate the doping and defect physics of Cu2SnS 3. We identify the origins of the changes in doping in sputtered cubic Cu2SnS3 thin films using combinatorial experiments and first-principles theory. High S chemical potential during deposition decreases the enthalpy of formation of Cu vacancies, which are the dominant acceptor defect in Cu2SnS3. Unexpectedly, under Cu-rich conditions, alloying with an isostructural (cubic) metallic Cu3SnS4 phase occurs, causing high levels of p-type doping. Both of these effects lead to undesirably high electrical conductivity, thus Cu2SnS 3 films must be grown both S- and Cu-poor in order to achieve moderate hole concentrations. To understand the effects of structural disorder on the transport properties in Cu2SnS3 we develop synthetic techniques to control this disorder, and observe improvements in the majority carrier (hole) transport. However, when the minority carrier (electron) transport was investigated, minimal differences were observed between the ordered and disordered Cu 2SnS3. By combining these results with first-principles and Monte Carlo theoretical calculations, we are able to conclude that even ostensibly "ordered" Cu2SnS3 displays minority carrier transport properties corresponding to the disordered structure. The presence of extended planar defects in all samples, observed in TEM imaging, suggests that disorder is present even when it is not detectable using traditional structural characterization methods. Lastly, we attempt to integrate our Cu2SnS3 films into photovoltaic devices, which requires translating our growth techniques to conductive substrates. We survey a wide range of possible conductive substrates, but are not able to find a suitable back contact for Cu2SnS 3 device integration, due to issues such as secondary phase formation and delamination. From a survey of successful Cu2SnS3 device literature, we are able to conclude that the issue may lie with our binary sputtering method in which the ternary compound formation and the film growth occur simultaneously. At the conclusion of this study, we eliminated Cu2SnS as an absorber candidate for future development. However, the two main issues we encountered (eliminating structural disorder and difficulty growing on conductive back contacts) may both be related to our binary sputtering technique. We expect that interest in Cu2SnS3-based photovoltaics will continue to grow, and that further scientific understanding may shed light on our particular difficulties. In the future, the RD methodology has the potential to greatly accelerate the discovery and development of non-traditional thin film absorbers, and may enable high impact material breakthroughs.

Identifying Structure-Property Relationships Through DREAM.3D Representative Volume Elements and DAMASK Crystal Plasticity Simulations: An Integrated Computational Materials Engineering Approach

NASA Astrophysics Data System (ADS)

Diehl, Martin; Groeber, Michael; Haase, Christian; Molodov, Dmitri A.; Roters, Franz; Raabe, Dierk

2017-05-01

Predicting, understanding, and controlling the mechanical behavior is the most important task when designing structural materials. Modern alloy systems—in which multiple deformation mechanisms, phases, and defects are introduced to overcome the inverse strength-ductility relationship—give raise to multiple possibilities for modifying the deformation behavior, rendering traditional, exclusively experimentally-based alloy development workflows inappropriate. For fast and efficient alloy design, it is therefore desirable to predict the mechanical performance of candidate alloys by simulation studies to replace time- and resource-consuming mechanical tests. Simulation tools suitable for this task need to correctly predict the mechanical behavior in dependence of alloy composition, microstructure, texture, phase fractions, and processing history. Here, an integrated computational materials engineering approach based on the open source software packages DREAM.3D and DAMASK (Düsseldorf Advanced Materials Simulation Kit) that enables such virtual material development is presented. More specific, our approach consists of the following three steps: (1) acquire statistical quantities that describe a microstructure, (2) build a representative volume element based on these quantities employing DREAM.3D, and (3) evaluate the representative volume using a predictive crystal plasticity material model provided by DAMASK. Exemplarily, these steps are here conducted for a high-manganese steel.

Microstructural and mechanical characterization of laser deposited advanced materials

NASA Astrophysics Data System (ADS)

Sistla, Harihar Rakshit

Additive manufacturing in the form of laser deposition is a unique way to manufacture near net shape metallic components from advanced materials. Rapid solidification facilitates the extension of solid solubility, compositional flexibility and decrease in micro-segregation in the melt among other advantages. The current work investigates the employment of laser deposition to fabricate the following: 1. Functionally gradient materials: This allows grading dissimilar materials compositionally to tailor specific properties of both these materials into a single component. Specific compositions of the candidate materials (SS 316, Inconel 625 and Ti64) were blended and deposited to study the brittle intermetallics reported in these systems. 2. High entropy alloys: These are multi- component alloys with equiatomic compositions of 5 or more elements. The ratio of Al to Ni was decreased to observe the transition of solid solution from a BCC to an FCC crystal structure in the AlFeCoCrNi system. 3. Structurally amorphous alloys: Zr-based metallic glasses have been reported to have high glass forming ability. These alloys have been laser deposited so as to rapidly cool them from the melt into an amorphous state. Microstructural analysis and X-ray diffraction were used to study the phase formation, and hardness was measured to estimate the mechanical properties.

Structural health monitoring in composite materials using frequency response methods

NASA Astrophysics Data System (ADS)

Kessler, Seth S.; Spearing, S. Mark; Atalla, Mauro J.; Cesnik, Carlos E. S.; Soutis, Constantinos

2001-08-01

Cost effective and reliable damage detection is critical for the utilization of composite materials in structural applications. Non-destructive evaluation techniques (e.g. ultrasound, radiography, infra-red imaging) are available for use during standard repair and maintenance cycles, however by comparison to the techniques used for metals these are relatively expensive and time consuming. This paper presents part of an experimental and analytical survey of candidate methods for the detection of damage in composite materials. The experimental results are presented for the application of modal analysis techniques applied to rectangular laminated graphite/epoxy specimens containing representative damage modes, including delamination, transverse ply cracks and through-holes. Changes in natural frequencies and modes were then found using a scanning laser vibrometer, and 2-D finite element models were created for comparison with the experimental results. The models accurately predicted the response of the specimems at low frequencies, but the local excitation and coalescence of higher frequency modes make mode-dependent damage detection difficult and most likely impractical for structural applications. The frequency response method was found to be reliable for detecting even small amounts of damage in a simple composite structure, however the potentially important information about damage type, size, location and orientation were lost using this method since several combinations of these variables can yield identical response signatures.

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

NASA Astrophysics Data System (ADS)

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

2016-08-01

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

Use of Thermoset Composite Materials in Cryogenic Tanks

NASA Astrophysics Data System (ADS)

Diaz, V.; Cardone, T.; Ramusat, G.

2014-06-01

To improve the performances of Future Expendable Launchers, one of the key aspects to be considered is the mass optimization of the cryogenic upper stage of the launcher, where a mass saving of one Kg, is directly transferred to one more Kg of payload.This optimization is inherently linked to the use of composite materials in all the structures that conforms the upper stage of the launcher.Currently, most of the upper stage structures of the operational launchers, like Ariane 5, are made in composite materials, with the exception of the cryogenic (LH2 and LOX) tanks which remain metallic.So, from a structural point of view, the next qualitative step in the development of new expendable launcher, would be the manufacturing of the upper stage cryogenic tanks in composite materials.To reach this objective important concerns mainly related to the potential for leaks and the compatibility with the LOX need to be resolved.In the frame of the FLPP (Future Launcher Preparatory Program) funded by ESA, an activity related to the use of thermoset composite material in the cryogenic tanks has been included.This paper presents a summary of the performed work which includes:* The selection and characterization of the most suitable candidate materials for the considered application* The design and analysis of a subscale demonstrator representative of the LH2 compartment* The design, manufacturing and testing of some test articles representatives of the selected design solutions* The manufacturing and testing of the selected subscale demonstrator.

Enhanced Thermal Properties of Novel Latent Heat Thermal Storage Material Through Confinement of Stearic Acid in Meso-Structured Onion-Like Silica

NASA Astrophysics Data System (ADS)

Gao, Junkai; Lv, Mengjiao; Lu, Jinshu; Chen, Yan; Zhang, Zijun; Zhang, Xiongjie; Zhu, Yingying

2017-12-01

Meso-structured onion-like silica (MOS), which had a highly ordered, onion-like multilayer; large surface area and pore volume; and highly curved mesopores, were synthesized as a support for stearic acid (SA) to develop a novel shape-stabilized phase change material (SA/MOS). The characterizations of SA/MOS were studied by the analysis technique of scanning electron microscope, infrared spectroscopy, x-ray diffraction, differential scanning calorimeter (DSC), and thermal gravimetry analysis (TGA). The results showed that the interaction between the SA and the MOS was physical adsorption and that the MOS had no effect on the crystal structure of the SA. The DSC results suggested that the melting and solidifying temperature of the SA/MOS were 72.7°C and 63.9°C with a melting latent heat of 108.0 J/g and a solidifying latent heat of 126.0 J/g, respectively, and the TGA results indicated that the SA/MOS had a good thermal stability. All of the results demonstrated that the SA/MOS was a promising thermal energy storage material candidate for practical applications.

Thermoelectric and Structural Properties of Zr-/Hf-Based Half-Heusler Compounds Produced at a Large Scale

NASA Astrophysics Data System (ADS)

Zillmann, D.; Waag, A.; Peiner, E.; Feyand, M.-H.; Wolyniec, A.

2018-02-01

The half-Heusler (HH) systems are promising candidates for thermoelectric (TE) applications since they have shown high figures of merit ( zT) of ˜ 1, which are directly related to the energy conversion efficiency. To use HH compounds for TE devices, the materials must be phase-stable at operating temperatures up to 600°C. Currently, only a few HH compositions are available in large quantities. Hence, we focus on the TE and structural properties of three commercially available Zr-/Hf-based HH compounds in this publication. In particular, we evaluate the thermal conductivities and the figures of merit and critically discuss uncertainties and propagation error in the measurements. We find thermal conductivities of less than 6.0 W K^{-1}m^{-1} for all investigated materials and notably high figures of merit of 0.93 and 0.60 for n- and p-type compounds, respectively, at 600°C. Additionally, our investigations reveal that the grain structures of all materials also contain secondary phases like HfO2, Sn-Ni and Ti-Zr-Sn rich phases while an additional SnO_2 phase was found following several hours of harsh heat treatment at 800°C.

First principles investigations of vinazene molecule and molecular crystal: a prospective candidate for organic photovoltaic applications.

PubMed

Mohamad, Mazmira; Ahmed, Rashid; Shaari, Amirudin; Goumri-Said, Souraya

2015-02-01

Escalating demand for sustainable energy resources, because of the rapid exhaustion of conventional energy resources as well as to maintain the environmental level of carbon dioxide (CO2) to avoid its adverse effect on the climate, has led to the exploitation of photovoltaic technology manifold more than ever. In this regard organic materials have attracted great attention on account of demonstrating their potential to harvest solar energy at an affordable rate for photovoltaic technology. 2-vinyl-4,5-dicyanoimidazole (vinazene) is considered as a suitable material over the fullerenes for photovoltaic applications because of its particular chemical and physical nature. In the present study, DFT approaches are employed to provide an exposition of optoelectronic properties of vinazene molecule and molecular crystal. To gain insight into its properties, different forms of exchange correlation energy functional/potential such as LDA, GGA, BLYP, and BL3YP are used. Calculated electronic structure of vinazene molecule has been displayed via HOMO-LUMO isosurfaces, whereas electronic structure of the vinazene molecular crystal, via electronic band structure, is presented. The calculated electronic and optical properties were analyzed and compared as well. Our results endorse vinazene as a suitable material for organic photovoltaic applications.

Data and results from a study of internal convective cooling systems for hypersonic aircraft

NASA Technical Reports Server (NTRS)

Anthony, F. M.; Dukes, W. H.; Helenbrook, R. G.

1974-01-01

An extensive survey of current and future airframe construction materials and coolants was conducted, so that the most promising candidates could be examined for cooled-panel, cooling-system and airframe concepts. Consideration was given to over 100 structural materials, 50 coolants, 6 classes of structural panel concepts, 4 classes of thermal panel concepts with numerous variations, and 3 overall cooled airframe design approaches, including unshielded, shielded, and dual temperature types. The concept identification and parametric comparison phase examined all major elements of the convectively cooled airframe, including the differing requirements at various locations on the aircraft. The parametric results were used for the investigation to two separate vehicles, a hypersonic transport with a length of 96 meters (314 feet) and a weight of 24,000 kg (528,600 lb) and a hypersonic research airplane, with a length of 25m (80 ft) and a weight of 20,300 kg (447,000 lb).

Effect of on-site Coulomb interaction on electronic and transport properties of 100% spin polarized CoMnVAs

NASA Astrophysics Data System (ADS)

Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

2017-08-01

The structural, electronic, magnetic and transport properties of a new quaternary Heusler alloy CoMnVAs have been investigated by employing generalized gradient approximation (GGA), modified Becke-Johnson (mBJ) and GGA with Hubbard U correction (GGA + U). The alloy is energetically more stable in ferromagnetic Y1 type structure. Elastic parameters reveal high anisotropy and ductile nature of the material. CoMnVAs shows half-metallic ferromagnet character with 100% spin polarization at Fermi level with band gap of 0.55 eV in the minority spin state. The alloy also possesses high electrical conductivity and Seebeck coefficients with 15 μVK-1 at room temperature, achieving a figure of merit of 0.65 at high temperatures. The high degree of ductility, 100% spin polarization and large Seebeck coefficient, makes it an attractive candidate to be used in spin voltage generators and thermoelectric materials.

The structural properties of InGaN alloys and the interdependence on the thermoelectric behavior

NASA Astrophysics Data System (ADS)

Kucukgok, Bahadir; Wu, Xuewang; Wang, Xiaojia; Liu, Zhiqiang; Ferguson, Ian T.; Lu, Na

2016-02-01

The III-Nitrides are promising candidate for high efficiency thermoelectric (TE) materials and devices due to their unique features which includes high thermal stability. A systematic study of the room temperature TE properties of metalorganic chemical vapor deposition grown InxGa1-xN were investigated for x = 0.07 to 0.24. This paper investigated the role of indium composition on the TE properties of InGaN alloys in particular the structural properties for homogenous material that did not show significant phase separation. The highest Seebeck and power factor values of 507 μV K-1 and 21.84 × 10-4 Wm-1K-1 were observed, respectively for In0.07Ga0.93N at room temperature. The highest value of figure-of-merit (ZT) was calculated to be 0.072 for In0.20Ga0.80N alloy at room temperature.

Analysis of Vaginal Microbicide Film Hydration Kinetics by Quantitative Imaging Refractometry

PubMed Central

Rinehart, Matthew; Grab, Sheila; Rohan, Lisa; Katz, David; Wax, Adam

2014-01-01

We have developed a quantitative imaging refractometry technique, based on holographic phase microscopy, as a tool for investigating microscopic structural changes in water-soluble polymeric materials. Here we apply the approach to analyze the structural degradation of vaginal topical microbicide films due to water uptake. We implemented transmission imaging of 1-mm diameter film samples loaded into a flow chamber with a 1.5×2 mm field of view. After water was flooded into the chamber, interference images were captured and analyzed to obtain high resolution maps of the local refractive index and subsequently the volume fraction and mass density of film material at each spatial location. Here, we compare the hydration dynamics of a panel of films with varying thicknesses and polymer compositions, demonstrating that quantitative imaging refractometry can be an effective tool for evaluating and characterizing the performance of candidate microbicide film designs for anti-HIV drug delivery. PMID:24736376

Analysis of vaginal microbicide film hydration kinetics by quantitative imaging refractometry.

PubMed

Rinehart, Matthew; Grab, Sheila; Rohan, Lisa; Katz, David; Wax, Adam

2014-01-01

We have developed a quantitative imaging refractometry technique, based on holographic phase microscopy, as a tool for investigating microscopic structural changes in water-soluble polymeric materials. Here we apply the approach to analyze the structural degradation of vaginal topical microbicide films due to water uptake. We implemented transmission imaging of 1-mm diameter film samples loaded into a flow chamber with a 1.5×2 mm field of view. After water was flooded into the chamber, interference images were captured and analyzed to obtain high resolution maps of the local refractive index and subsequently the volume fraction and mass density of film material at each spatial location. Here, we compare the hydration dynamics of a panel of films with varying thicknesses and polymer compositions, demonstrating that quantitative imaging refractometry can be an effective tool for evaluating and characterizing the performance of candidate microbicide film designs for anti-HIV drug delivery.

EBF3 Design and Sustainability Considerations

NASA Technical Reports Server (NTRS)

Taminger, Karen M. B.

2015-01-01

Electron beam freeform fabrication (EBF3) is a cross-cutting technology for producing structural metal parts using an electron beam and wire feed in a layer-additive fashion. This process was developed by researchers at NASA Langley to specifically address needs for aerospace applications. Additive manufacturing technologies like EBF3 enable efficient design of materials and structures by tailoring microstructures and chemistries at the local level to improve performance at the global level. Additive manufacturing also facilitates design freedom by integrating assemblies into complex single-piece components, eliminating flanges, fasteners and joints, resulting in reduced size and mass. These same efficiencies that permit new design paradigms also lend themselves to supportability and sustainability. Long duration space missions will require a high degree of self-sustainability. EBF3 is a candidate technology being developed to allow astronauts to conduct repairs and fabricate new components and tools on demand, with efficient use of feedstock materials and energy.

Clad metals, roll bonding and their applications for SOFC interconnects

NASA Astrophysics Data System (ADS)

Chen, Lichun; Yang, Zhenguo; Jha, Bijendra; Xia, Guanguang; Stevenson, Jeffry W.

Metallic interconnects have been becoming an increasingly interesting topic in the development in intermediate temperature solid oxide fuel cells (SOFC). High temperature oxidation resistant alloys are currently considered as candidate materials. Among these alloys however, different groups of alloys demonstrate different advantages and disadvantages, and few if any can completely satisfy the stringent requirements for the application. To integrate the advantages and avoid the disadvantages of different groups of alloys, clad metal has been proposed for SOFC interconnect applications and interconnect structures. This paper gives a brief overview of the cladding approach and its applications, and discuss the viability of this technology to fabricate the metallic layered-structure interconnects. To examine the feasibility of this approach, the austenitic Ni-base alloy Haynes 230 and the ferritic stainless steel AL 453 were selected as examples and manufactured into a clad metal. Its suitability as an interconnect construction material was investigated.

Nb-doped SrTiO3 glass-ceramics as high temperature stable n-type oxide thermoelectrics

NASA Astrophysics Data System (ADS)

Lingner, Julian; Jakob, Gerhard; Letz, Martin

2012-06-01

Niobium doped SrTiO3 is known for its high potential as an oxide thermoelectric material and is one of the possible candidates for the n-type site in an oxidic thermoelectric module. The high thermal conductivity [1] and the lack of high-temperature stability of the oxygen vacancies [2] limit its properties in the ceramic systems. Glass-ceramics are intrinsic nano-structured systems and provide crystal phases densely embedded in a glass matrix which prevents the material from detoriation at high temperatures. In particular, the glass-matrix prevents an uncontrolled reoxidization as well as an uncontrolled grain growth therefore retaining the nano-structure even at high temperatures. Here, measurements and results of first glass-ceramic systems are presented, which show a low thermal conductivity due to the residue glass phase. Furthermore a stable thermal cycling up to 650 °C is demonstrated.

Development of a high capacity bubble domain memory element and related epitaxial garnet materials for application in spacecraft data recorders. Item 2: The optimization of material-device parameters for application in bubble domain memory elements for spacecraft data recorders

NASA Technical Reports Server (NTRS)

Besser, P. J.

1976-01-01

Bubble domain materials and devices are discussed. One of the materials development goals was a materials system suitable for operation of 16 micrometer period bubble domain devices at 150 kHz over the temperature range -10 C to +60 C. Several material compositions and hard bubble suppression techniques were characterized and the most promising candidates were evaluated in device structures. The technique of pulsed laser stroboscopic microscopy was used to characterize bubble dynamic properties and device performance at 150 kHz. Techniques for large area LPE film growth were developed as a separate task. Device studies included detector optimization, passive replicator design and test and on-chip bridge evaluation. As a technology demonstration an 8 chip memory cell was designed, tested and delivered. The memory elements used in the cell were 10 kilobit serial registers.

Porous Inorganic Drug Delivery Systems-a Review.

PubMed

Sayed, E; Haj-Ahmad, R; Ruparelia, K; Arshad, M S; Chang, M-W; Ahmad, Z

2017-07-01

Innovative methods and materials have been developed to overcome limitations associated with current drug delivery systems. Significant developments have led to the use of a variety of materials (as excipients) such as inorganic and metallic structures, marking a transition from conventional polymers. Inorganic materials, especially those possessing significant porosity, are emerging as good candidates for the delivery of a range of drugs (antibiotics, anticancer and anti-inflammatories), providing several advantages in formulation and engineering (encapsulation of drug in amorphous form, controlled delivery and improved targeting). This review focuses on key selected developments in porous drug delivery systems. The review provides a short broad overview of porous polymeric materials for drug delivery before focusing on porous inorganic materials (e.g. Santa Barbara Amorphous (SBA) and Mobil Composition of Matter (MCM)) and their utilisation in drug dosage form development. Methods for their preparation and drug loading thereafter are detailed. Several examples of porous inorganic materials, drugs used and outcomes are discussed providing the reader with an understanding of advances in the field and realistic opportunities.

Graphene-Based Materials for Lithium-Ion Hybrid Supercapacitors.

PubMed

Ma, Yanfeng; Chang, Huicong; Zhang, Miao; Chen, Yongsheng

2015-09-23

Lithium-ion hybrid supercapacitors (LIHSs), also called Li-ion capacitors, have attracted much attention due to the combination of the rapid charge-discharge and long cycle life of supercapacitors and the high energy-storage capacity of lithium-ion batteries. Thus, LIHSs are expected to become the ultimate power source for hybrid and all-electric vehicles in the near future. As an electrode material, graphene has many advantages, including high surface area and porous structure, high electric conductivity, and high chemical and thermal stability, etc. Compared with other electrode materials, such as activated carbon, graphite, and metal oxides, graphene-based materials with 3D open frameworks show higher effective specific surface area, better control of channels, and higher conductivity, which make them better candidates for LIHS applications. Here, the latest advances in electrode materials for LIHSs are briefly summarized, with an emphasis on graphene-based electrode materials (including 3D graphene networks) for LIHS applications. An outlook is also presented to highlight some future directions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic structure calculations toward new potentially AChE inhibitors

NASA Astrophysics Data System (ADS)

de Paula, A. A. N.; Martins, J. B. L.; Gargano, R.; dos Santos, M. L.; Romeiro, L. A. S.

2007-10-01

The main purpose of this study was the use of natural non-isoprenoid phenolic lipid of cashew nut shell liquid from Anacardium occidentale as lead material for generating new potentially candidates of acetylcholinesterase inhibitors. Therefore, we studied the electronic structure of 15 molecules derivatives from the cardanol using the following groups: methyl, acetyl, N, N-dimethylcarbamoyl, N, N-dimethylamine, N, N-diethylamine, piperidine, pyrrolidine, and N-benzylamine. The calculations were performed at RHF level using 6-31G, 6-31G(d), 6-31+G(d) and 6-311G(d,p) basis functions. Among the proposed compounds we found that the structures with substitution by acetyl, N, N-dimethylcarbamoyl, N, N-dimethylamine, and pyrrolidine groups were better correlated to rivastigmine indicating possible activity.

Accurate prediction of the refractive index of polymers using first principles and data modeling

NASA Astrophysics Data System (ADS)

Afzal, Mohammad Atif Faiz; Cheng, Chong; Hachmann, Johannes

Organic polymers with a high refractive index (RI) have recently attracted considerable interest due to their potential application in optical and optoelectronic devices. The ability to tailor the molecular structure of polymers is the key to increasing the accessible RI values. Our work concerns the creation of predictive in silico models for the optical properties of organic polymers, the screening of large-scale candidate libraries, and the mining of the resulting data to extract the underlying design principles that govern their performance. This work was set up to guide our experimentalist partners and allow them to target the most promising candidates. Our model is based on the Lorentz-Lorenz equation and thus includes the polarizability and number density values for each candidate. For the former, we performed a detailed benchmark study of different density functionals, basis sets, and the extrapolation scheme towards the polymer limit. For the number density we devised an exceedingly efficient machine learning approach to correlate the polymer structure and the packing fraction in the bulk material. We validated the proposed RI model against the experimentally known RI values of 112 polymers. We could show that the proposed combination of physical and data modeling is both successful and highly economical to characterize a wide range of organic polymers, which is a prerequisite for virtual high-throughput screening.

Vertically-aligned BCN Nanotube Arrays with Superior Performance in Electrochemical capacitors

PubMed Central

Zhou, Junshuang; Li, Na; Gao, Faming; Zhao, Yufeng; Hou, Li; Xu, Ziming

2014-01-01

Electrochemical capacitors (EC) have received tremendous interest due to their high potential to satisfy the urgent demand in many advanced applications. The development of new electrode materials is considered to be the most promising approach to enhance the EC performance substantially. Herein, we present a high-capacity capacitor material based on vertically-aligned BC2N nanotube arrays (VA-BC2NNTAs) synthesized by low temperature solvothermal route. The obtained VA-BC2NNTAs display the good aligned nonbuckled tubular structure, which could indeed advantageously enhance capacitor performance. VA-BC2NNTAs exhibit an extremely high specific capacitance, 547 Fg−1, which is about 2–6 times larger than that of the presently available carbon-based materials. Meanwhile, VA-BC2NNTAs maintain an excellent rate capability and high durability. All these characteristics endow VA-BC2NNTAs an alternative promising candidate for an efficient electrode material for electrochemical capacitors (EC). PMID:25124300

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

Wang, Jing; Toloczko, Mychailo B.; Kruska, Karen

Accelerator-based ion beam techniques have been used to study radiation effects in materials for decades. Although carbon contamination induced by ion beam in target materials is a well-known issue, it has not been fully characterized nor quantified for studies in ferritic/martensitic (F/M) steels that are candidate materials for applications such as core structural components in advanced nuclear reactors. It is an especially important issue for this class of material because of the effect of carbon level on precipitate formation. In this paper, the ability to quantify carbon contamination using three common techniques, namely time-of-flight secondary ion mass spectroscopy (ToF-SIMS), atommore » probe tomography (APT) and transmission electron microscopy (TEM) is compared. Their effectiveness and short-comings in determining carbon contamination will be presented and discussed. The corresponding microstructural changes related to carbon contamination in ion irradiated F/M steels are also presented and briefly discussed.« less

Status of the NASA Balloon Program

NASA Technical Reports Server (NTRS)

Needleman, H. C.; Nock, R. S.; Bawcom, D. W.

1993-01-01

The NASA Balloon Program (BP) is examined in an overview of design philosophy, R&D activities, flight testing, and the development of a long-duration balloon for Antarctic use. The Balloon Recovery Program was developed to qualify the use of existing films and to design improved materials and seals. Balloon flights are described for studying the supernova SN1987a, and systems were developed to enhance balloon campaigns including mobile launch vehicles and tracking/data-acquisition systems. The technical approach to long-duration ballooning is reviewed which allows the use of payloads of up to 1350 kg for two to three weeks. The BP is responsible for the development of several candidate polyethylene balloon films as well as design/performance standards for candidate balloons. Specific progress is noted in reliability and in R&D with respect to optimization of structural design, resin blending, and extrusion.

Preliminary report on candidates for AGARD standard aeroelastic configurations for dynamic response

NASA Technical Reports Server (NTRS)

Yates, E. Carson, Jr.

1987-01-01

At the request of the Aeroelasticity Subcommittee of the AGARD Structures and Materials Panel, a survey of member countries has been conducted to seek candidates for a prospective set of standard configurations to be used for comparison of calculated and measured dynamic aeroelastic behavior with emphasis on the transonic speed range. This set is a sequel to that established several years ago for comparisons of calculated and measured aerodynamic pressures and forces. Approximately two dozen people in the United States, and more than three dozen people in the other member countries, were contacted. This preliminary report presents the results of the survey and an analysis of those results along with recommendations for the initial set of standard configurations and for additional experimental work needed to fill significant gaps in the available information.

The northwestern slope valleys (NSVs) region, Mars: A prime candidate site for the future exploration of Mars

USGS Publications Warehouse

Dohm, J.M.; Ferris, J.C.; Barlow, N.G.; Baker, V.R.; Mahaney, W.C.; Anderson, R.C.; Hare, T.M.

2004-01-01

The northwestern slope valleys region is a prime candidate site for future science-driven Mars exploration because it records Noachian to Amazonian Tharsis development in a region that encapsulates (1) a diverse and temporally extensive stratigraphic record, (2) at least three distinct paleohydrologic regimes, (3) gargantuan structurally controlled flood valleys that generally correspond with gravity and magnetic anomalies, possibly marking ancient magnetized rock materials exposed by fluvial activity, (4) water enrichment, as indicated by Mars Odyssey and impact crater analyses, (5) long-lived magma and ground water/ice interactions that could be favorable for the development and sustenance of life, and (6) potential paleosol development. This region has high probability to yield significant geologic, climatic, and exobiologic information that could revolutionize our understanding of Mars. ?? 2003 Elsevier Ltd. All rights reserved.

3D printing biodegradable scaffolds with chitosan materials for tissue engineering

NASA Astrophysics Data System (ADS)

Bardakova, K. N.; Demina, T. S.; Grebenik, E. A.; Minaev, N. V.; Akopova, T. A.; Bagratashvili, V. N.; Timashev, P. S.

2018-04-01

Chitosan-g-oligo (L,L-lactide) copolymer was synthesized through a solvent-free reaction in an extruder. Three-dimensional scaffolds based on photosensitive composition contained the synthetized copolymer were formed by two-photon polymerization. The optimum ratio of components, methods of preparation of photopolymerizable mixtures, parameters of the laser structuring and procedure of washing from unbound crosslinkers have been optimized. Chitosan scaffolds were non-cytotoxic and might therefore be a suitable candidate for treating spinal cord injuries and other neuronal degenerative diseases.

Atomistic characterization of SAM coatings as gate insulators in Si-based FET devices

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

Gala, F.; Zollo, G.

2014-06-19

Many nano-material systems are currently under consideration as possible candidates for gate dielectric insulators in both metal-oxide-semiconductor (MOSFET) and organic (OFET) field-effect transistors. In this contribution, the possibility of employing self-assembled monolayers (SAMs) of hydroxylated octadecyltrichlorosilane (OTS) chains on a (111) Si substrate as gate dielectrics is discussed; in particular ab initio theoretical simulations have been employed to study the structural properties, work function modifications, and the insulating properties of OTS thin film coatings on Si substrates.

Atomistic characterization of SAM coatings as gate insulators in Si-based FET devices

NASA Astrophysics Data System (ADS)

Gala, F.; Zollo, G.

2014-06-01

Many nano-material systems are currently under consideration as possible candidates for gate dielectric insulators in both metal-oxide-semiconductor (MOSFET) and organic (OFET) field-effect transistors. In this contribution, the possibility of employing self-assembled monolayers (SAMs) of hydroxylated octadecyltrichlorosilane (OTS) chains on a (111) Si substrate as gate dielectrics is discussed; in particular ab initio theoretical simulations have been employed to study the structural properties, work function modifications, and the insulating properties of OTS thin film coatings on Si substrates.

A Novel and Non-Cytotoxic Self-Healing Supramolecular Elastomer Synthesized with Small Molecular Biological Acids.

PubMed

Liu, Ling; Pan, Cheng; Zhang, Liqun; Guo, Baochun

2016-10-01

A novel and non-cytotoxic self-healing supramolecular elastomer (SE) is synthesized with small-molecular biological acids by hydrogen-bonding interactions. The synthesized SEs behave as rubber at room temperature without additional plasticizers or crosslinkers, which is attributed to the phase-separated structure. The SE material exhibits outstanding self-healing capability at room temperature and essential non-cytotoxicity, which makes it a potential candidate for biomedical applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fabrication of turbine components and properties of sintered silicon nitride

NASA Technical Reports Server (NTRS)

Neil, J. T.; French, K. W.; Quackenbush, C. L.; Smith, J. T.

1982-01-01

This paper presents a status report on the injection molding of sinterable silicon nitride at GTE Laboratories. The effort involves fabrication of single axial turbine blades and monolithic radial turbine rotors. The injection molding process is reviewed and the fabrication of the turbine components discussed. Oxidation resistance and strength results of current injection molded sintered silicon nitride as well as dimensional checks on sintered turbine blades demonstrate that this material is a viable candidate for high temperature structural applications.

Advanced solar receiver conceptual design study

NASA Technical Reports Server (NTRS)

Kesseli, J. B.; Lacy, D. E.

1987-01-01

High temperature solar dynamic Brayton and Stirling receivers are investigated as candidate electrical power generating systems for future LEO missions. These receivers are smaller and more efficient than conventional receivers, and they offer less structural complexity and fewer thermal stress problems. Use of the advanced Direct Absorption Storage Receiver allows many of the problems associated with working with high-volumetric-change phase-change materials to be avoided. A specific mass reduction of about 1/3 with respect to the baseline receiver has been realized.

Effects of Fiber/Matrix Interface and its Composition on Mechanical Properties of Hi Nicalon/Celsian Composites

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Eldridge, Jeffrey I.

1998-01-01

Fiber-reinforced ceramic matrix composites (CMC) are prospective candidate materials for high temperature structural applications in aerospace, energy conservation, power generation, nuclear, petrochemical, and other industries. At NASA Lewis, we are investigating celsian matrix composites reinforced with various types of silicon carbide fibers. The objective of the present study was to investigate the effects of fiber/matrix interface and its composition on the mechanical properties of silicon carbide (Hi-Nicalon) fiber-reinforced celsian matrix composites.

Upper Temperature Limit of Environmental Barrier Coatings for Enabling Propulsion Materials Established

NASA Technical Reports Server (NTRS)

Lee, Kang N.; Fox, Dennis S.; Robinson, R. Craig

2001-01-01

Silicon-based ceramics, such as SiC/SiC composites and Si3N4, are the prime candidates for hot section structural components of next-generation gas turbines. A key barrier to such an application is the rapid recession of silicon-based ceramics in combustion environments because of the volatilization of silica scale by water vapor (refs. 1 and 2). Environmental barrier coatings (EBC's) were developed to prevent recession in the High Speed Research--Enabling Propulsion Materials (HSR-EPM) Program (refs. 3 and 4). An investigation under the Ultra-Efficient Engine Technology Program was undertaken at the NASA Glenn Research Center to establish the upper temperature limit of the EPM EBC.

First principles approach to the magneto caloric effect: Application to Ni2MnGa

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

Nicholson, Don M; Odbadrakh, Khorgolkhuu; Rusanu, Aurelian

2011-01-01

The magneto-caloric effect (MCE) is a possible route to more efficient heating and cooling of residential and commercial buildings. The search for improved materials is important to the development of a viable MCE based heat pump technology. We have calculated the magnetic structure of a candidate MCE material: Ni2MnGa. The density of magnetic states was calculated with the Wang Landau statistical method utilizing energies fit to those of the locally self-consistent multiple scattering method. The relationships between the density of magnetic states and the field induced adiabatic temperature change and the isothermal entropy change are discussed. (C) 2011 American Institutemore » of Physics.« less

Manual for LDEF tensile tests

NASA Technical Reports Server (NTRS)

Witte, W. G., Jr.

1985-01-01

One of the experiments aboard the NASA Long Duration Exposure Facility (LDEF) consists of a tray of approximately one hundred tensile specimens of several candidate space structure composite materials. During the LDEF flight the materials will be subjected to the space environment and to possible contamination during launch and recovery. Tensile tests of representative samples were made before the LDEF flight to obtain baseline data. Similar tests will be made on control specimens stored on earth for the length of the LDEF flight and on recovered flight specimens. This manual codifies the details of testing, data acquisition, and handling used in obtaining the baseline data so that the same procedures and equipment will be used on the subsequent tests.

Simulated Reentry Heating by Torching

NASA Technical Reports Server (NTRS)

Harvey, Gale A.

2008-01-01

The two first order reentry heating parameters are peak heating flux (W/cm2) and peak heat load (kJ/cm2). Peak heating flux (and deceleration, gs) is higher for a ballistic reentry and peak heat load is higher for a lifting reentry. Manned vehicle reentries are generally lifting reentries at nominal 1-5 gs so that personnel will not be crushed by high deceleration force. A few off-nominal manned reentries have experienced 8 or more gs with corresponding high heating flux (but below nominal heat load). The Shuttle Orbiter reentries provide about an order of magnitude difference in peak heating flux at mid-bottom (TPS tiles, approximately 6 W/cm2 or 5 BTU/ft2- sec) and leading edge (RCC, approximately 60 W/cm2 or 50 BTU/ft2- sec). Orion lunar return and Mars sample lander are of the same order of magnitude as orbiter leading edge peak heat loads. Flight temperature measurements are available for some orbiter TPS tile and RCC locations. Return-to-Flight on-orbit tile-repair-candidate-material-heating performance was evaluated by matching propane torch heating of candidate-materials temperatures at several depths to orbiter TPS tile flight-temperatures. Char and ash characteristics, heat expansion, and temperature histories at several depths of the cure-in-place ablator were some of the TPS repair material performance characteristics measured. The final char surface was above the initial surface for the primary candidate (silicone based) material, in contrast to a receded surface for the Apollo-type ablative heat shield material. Candidate TPS materials for Orion CEV (LEO and lunar return), and for Mars sample lander are now being evaluated. Torching of a candidate ablator material, PICA, was performed to match the ablation experienced by the STARDUST PICA heat shield. Torching showed that the carbon fiberform skeleton in a sample of PICA was inhomogeneous in that sample, and allowed measurements (of the clumps and voids) of the inhomogeneity. Additional reentry heating-performance characterizations of high temperature insulation materials were performed.

Simulated space environmental effects on a polyetherimide and its carbon fiber-reinforced composites

NASA Technical Reports Server (NTRS)

Kern, Kristen T.; Stancil, Phillip C.; Harries, Wynford L.; Long, Edward R., Jr.; Thibeault, Sheila A.

1993-01-01

The selection of materials for spacecraft construction requires identification of candidate materials which can perform reliably in the space environment. Understanding the effects of the space environment on the materials is an important step in the selection of candidate materials. This work examines the effects of energetic electrons, thermal cycling, electron radiation in conjunction with thermal cycling, and atomic oxygen on a thermoplastic polyetherimide and its carbon-fiber-reinforced composites. Composite materials made with non-sized fibers as well as materials made with fibers sized with an epoxy were evaluated. The mechanical and thermomechanical properties of the materials were studied and spectroscopic techniques were used to investigate the mechanisms for the observed effects. Considerations for future material development are suggested.

Atomic structure and pressure-induced phase transformations in a phase-change alloy

NASA Astrophysics Data System (ADS)

Xu, Ming

Phase-change materials exist in at least two phases under the ambient condition. One is the amorphous state and another is crystalline phase. These two phases have vastly different physical properties, such as electrical conductivity, optical reflectivity, mass density, thermal conductivity, etc. The distinct physical properties and the fast transformation between amorphous and crystalline phases render these materials the ability to store information. For example, the DVD and the Blue-ray discs take advantage of the optical reflectivity contrast, and the newly developed solid-state memories make use of the large conductivity difference. In addition, both the amorphous and crystalline phases in phase-change memories (PCMs) are very stable at room temperature, and they are easy to be scaled up in the production of devices with large storage density. All these features make phase-change materials the ideal candidates for the next-generation memories. Despite of the fast development of these new memory materials in industry, many fundamental physics problems underlying these interesting materials are still not fully resolved. This thesis is aiming at solving some of the key issues in phase-change materials. Most of phase-change materials are composed of Ge-Sb-Te constituents. Among all these Ge-Sb-Te based materials, Ge2Sb2Te5 (GST) has the best performance and has been frequently studied as a prototypical phase-change material. The first and foremost issue is the structure of the two functioning phases. In this thesis, we investigate the unique atomic structure and bonding nature of amorphous GST (a-GST) and crystalline GST ( c-GST), using ab initio tools and X-ray diffraction (XRD) methods. Their local structures and bonding scenarios are then analyzed using electronic structure calculations. In order to gain insight into the fast phase transformation mechanism, we also carried out a series of high-pressure experiments on GST. Several new polymorphs and their transformations have been revealed under high pressure via in situ XRD and in situ electrical resistivity measurements. The mechanisms of the structural and property changes have been uncovered via ab initio molecular dynamics simulations.

Influenza vaccines based on virus-like particles

PubMed Central

Kang, Sang-Moo; Song, Jae-Min; Quan, Fu-Shi; Compans, Richard W.

2009-01-01

The simultaneous expression of structural proteins of virus can produce virus-like particles (VLPs) by a self-assembly process in a viral life cycle even in the absence of genomic material. Taking an advantage of structural and morphological similarities of VLPs to native virions, VLPs have been suggested as a promising platform for new viral vaccines. In the light of a pandemic threat, influenza VLPs have been recently developed as a new generation of non-egg based cell culture-derived vaccine candidates against influenza infection. Animals vaccinated with VLPs containing hemagglutinin (HA) or HA and neuraminidase (NA) were protected from morbidity and mortality resulting from lethal influenza infections. Influenza VLPs serve as an excellent model system of an enveloped virus for understanding the properties of VLPs in inducing protective immunity. In this review, we briefly describe the characteristics of influenza VLPs assembled with a lipid bilayer containing glycoproteins, and summarize the current progress on influenza VLPs as an alternative vaccine candidate against seasonal as well as pandemic influenza viruses. In addition, the protective immune correlates induced by vaccination with influenza VLPs are discussed. PMID:19374929

Investigation of Teacher Candidates' Opinions about Instructional Technologies and Material Usage

ERIC Educational Resources Information Center

Orhan-Karsak, Hanife Gülhan

2017-01-01

The purpose of this study is to determine the awareness of teacher candidates about instructional technologies and materials and the ways of giving place in instruction by integrating them with different activities, to reveal opinions about their usage. Seventeen female and eight male, in total twenty five participants are sampling. The ages of…

Development of automated extraction method of biliary tract from abdominal CT volumes based on local intensity structure analysis

NASA Astrophysics Data System (ADS)

Koga, Kusuto; Hayashi, Yuichiro; Hirose, Tomoaki; Oda, Masahiro; Kitasaka, Takayuki; Igami, Tsuyoshi; Nagino, Masato; Mori, Kensaku

2014-03-01

In this paper, we propose an automated biliary tract extraction method from abdominal CT volumes. The biliary tract is the path by which bile is transported from liver to the duodenum. No extraction method have been reported for the automated extraction of the biliary tract from common contrast CT volumes. Our method consists of three steps including: (1) extraction of extrahepatic bile duct (EHBD) candidate regions, (2) extraction of intrahepatic bile duct (IHBD) candidate regions, and (3) combination of these candidate regions. The IHBD has linear structures and intensities of the IHBD are low in CT volumes. We use a dark linear structure enhancement (DLSE) filter based on a local intensity structure analysis method using the eigenvalues of the Hessian matrix for the IHBD candidate region extraction. The EHBD region is extracted using a thresholding process and a connected component analysis. In the combination process, we connect the IHBD candidate regions to each EHBD candidate region and select a bile duct region from the connected candidate regions. We applied the proposed method to 22 cases of CT volumes. An average Dice coefficient of extraction result was 66.7%.

Evaluation of a single cell and candidate materials with high water content hydrogen in a generic solid oxide fuel cell stack test fixture, Part II: materials and interface characterization

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

Chou, Y. S.; Stevenson, Jeffry W.; Choi, Jung-Pyung

2013-01-01

A generic solid oxide fuel cell (SOFC) test fixture was developed to evaluate candidate materials under realistic conditions. A commerical 50 mm x 50 mm NiO-YSZ anode supported thin YSZ electrolyte cell with lanthanum strontium manganite (LSM) cathode was tested to evaluate the stability of candidate materials. The cell was tested in two stages at 800oC: stage I of low (~3% H2O) humidity and stage II of high (~30% H2O) humidity hydrogen fuel at constant voltage or constant current mode. Part I of the work was published earlier with information of the generic test fixture design, materials, cell performance, andmore » optical post-mortem analysis. In part II, detailed microstructure and interfacial characterizations are reported regarding the SOFC candidate materials: (Mn,Co)-spinel conductive coating, alumina coating for sealing area, ferritic stainless steel interconnect, refractory sealing glass, and their interactions with each other. Overall, the (Mn,Co)-spinel coating was very effective in minimizing Cr migration. No Cr was identified in the cathode after 1720h at 800oC. Aluminization of metallic interconnect also proved to be chemically compatible with alkaline-earth silicate sealing glass. The details of interfacial reaction and microstructure development are discussed.« less

Design of new disulfide-based organic compounds for the improvement of self-healing materials.

PubMed

Matxain, Jon M; Asua, José M; Ruipérez, Fernando

2016-01-21

Self-healing materials are a very promising kind of materials due to their capacity to repair themselves. Among others, diphenyl disulfide-based compounds (Ph2S2) appear to be among the best candidates to develop materials with optimum self-healing properties. However, few is known regarding both the reaction mechanism and the electronic structure that make possible such properties. In this vein, theoretical approaches are of great interest. In this work, we have carried out theoretical calculations on a wide set of different disulfide compounds, both aromatic and aliphatic, in order to elucidate the prevalent reaction mechanism and the necessary electronic conditions needed for improved self-healing properties. Two competitive mechanisms were considered, namely, the metathesis and the radical-mediated mechanism. According to our calculations, the radical-mediated mechanism is the responsible for this process. The formation of sulfenyl radicals strongly depends on the S-S bond strength, which can be modulated chemically by the use of proper derivatives. At this point, amino derivatives appear to be the most promising ones. In addition to the S-S bond strength, hydrogen bonding between disulfide chains seems to be relevant to favour the contact among disulfide units. This is crucial for the reaction to take place. The calculated hydrogen bonding energies are of the same order of magnitude as the S-S bond energies. Finally, reaction barriers have been analysed for some promising candidates. Two reaction mechanisms were compared, namely, the [2+2] metathesis reaction mechanism and the [2+1] radical-mediated mechanism. No computational evidence for the existence of any transition state for the metathesis mechanism was found, which indicates that the radical-mediated mechanism is the one responsible in the self-healing process of these materials. Interestingly, the calculated reaction barriers are around 10 kcal mol(-1) regardless the substituent employed. All these results suggest that the radical formation and the structural role of the hydrogen bonding prevale over kinetics. Having this in mind, as a conclusion, some new compounds are proposed for the design of future self-healing materials with improved features.

Carbon-oxygen clusters as hypothetical high energy-density materials

NASA Astrophysics Data System (ADS)

Evangelisti, Stefano

1997-05-01

An an initio investigation on the hypothetical systems C nO n ( n = 2, 3, 4) is presented. Calculations have been performed at SCF and MP2 level, using a [3s2p1 d] basis set on each atom. At this level of approximation, two metastable structures have been found. They are C 2O 2 with C 2v symmetry (an irregular tetrahedron) and C 4O 4 with T d symmetry (two regular tetrahedra copenetrating each other). On the other hand, the search of local minima with C nv structures has failed for n = 3, 4. For the two metastable structures also larger basis sets have been used, up to [4s3p2d1f] (in the case of C 4O 4, at SCF level only). The computed energy release of the dissociation reaction (C nO n → n CO) of the two metastable structures is very high (about 100 kcal per mole of CO produced). It is of the same magnitude of the energy computed for the corresponding isoelectronic structures N 4 and N 8. If these or similar CO-clusters could be synthesized, these systems are candidates to be high energy-density materials (HEDM).

Evaluation and comparison of alternative designs for water/solid-waste processing systems for spacecraft

NASA Technical Reports Server (NTRS)

Spurlock, J. M.

1975-01-01

Promising candidate designs currently being considered for the management of spacecraft solid waste and waste-water materials were assessed. The candidate processes were: (1) the radioisotope thermal energy evaporation/incinerator process; (2) the dry incineration process; and (3) the wet oxidation process. The types of spacecraft waste materials that were included in the base-line computational input to the candidate systems were feces, urine residues, trash and waste-water concentrates. The performance characteristics and system requirements for each candidate process to handle this input and produce the specified acceptable output (i.e., potable water, a storable dry ash, and vapor phase products that can be handled by a spacecraft atmosphere control system) were estimated and compared. Recommendations are presented.

Computational prediction of new auxetic materials.

PubMed

Dagdelen, John; Montoya, Joseph; de Jong, Maarten; Persson, Kristin

2017-08-22

Auxetics comprise a rare family of materials that manifest negative Poisson's ratio, which causes an expansion instead of contraction under tension. Most known homogeneously auxetic materials are porous foams or artificial macrostructures and there are few examples of inorganic materials that exhibit this behavior as polycrystalline solids. It is now possible to accelerate the discovery of materials with target properties, such as auxetics, using high-throughput computations, open databases, and efficient search algorithms. Candidates exhibiting features correlating with auxetic behavior were chosen from the set of more than 67 000 materials in the Materials Project database. Poisson's ratios were derived from the calculated elastic tensor of each material in this reduced set of compounds. We report that this strategy results in the prediction of three previously unidentified homogeneously auxetic materials as well as a number of compounds with a near-zero homogeneous Poisson's ratio, which are here denoted "anepirretic materials".There are very few inorganic materials with auxetic homogenous Poisson's ratio in polycrystalline form. Here authors develop an approach to screening materials databases for target properties such as negative Poisson's ratio by using stability and structural motifs to predict new instances of homogenous auxetic behavior as well as a number of materials with near-zero Poisson's ratio.

Investigations of surface structural, dynamical, and magnetic properties of systems exhibiting multiferroicity, and topological phases by helium scattering spectroscopies

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

El-Batanouny, Maged

2015-08-03

We propose to investigate the surface structural, dynamics and magnetic properties of the novel class of topological insulator crystals, as well as crystals that exhibit multiferroicity, magnetoelectricity and thermoelectricity. Topological insulators (TIs) are a new class of insulators in which a bulk gap for electronic excitations is generated because of the strong spin-orbit coupling inherent to these systems. These materials are distinguished from ordinary insulators by the presence of gapless metallic surface states, resembling chiral edge modes in quantum Hall systems, but with unconventional spin textures. These exotic metallic states are formed by topological conditions that also render the electrons travelling on such surfaces insensitive to scattering by impurities. The electronic quasi-particles populating the topological surface state are Dirac fermions; they have a linear dispersion and thus are massless just like photons. We propose to investigate the interaction of these massless Dirac fermions with the massive lattice in the newly discovered crystals, Bi2Se3, Bi2Te3 and Sb2Te3. We shall use inelastic helium beam scattering from surfaces to search for related signatures in surface phonon dispersions mappings that cover the entire surface Brillouin zone of these materials. Our recent investigations of the (001) surface of the multiferroic crystals (Li/Na)Cu2O2 revealed an anomalous surface structural behavior where surface Cumore » $$^{2+}$$ row rise above the surface plane as the crystal was cooled. Subsequent worming revealed the onset of a thermally activated incommensurate surface phase, driven by the elevated rows. We are currently investigating the structure of the magnetic phases in these quasi-one-dimensional magnetic rows. Multiferroics are excellent candidates for large magnetoelectric response. We propose to extend this investigation to the class of delafossites which are also multiferroics and have been investigated as good candidates for thermoelectric power devices. They are also typical triangular lattice antiferromagnets with geometric magnetic frustration that leads to helimagnetic structures.« less

Laser erosion diagnostics of plasma facing materials with displacement sensors and their application to safeguard monitors to protect nuclear fusion chambers

NASA Astrophysics Data System (ADS)

Kasuya, Koichi; Motokoshi, Shinji; Taniguchi, Seiji; Nakai, Mitsuo; Tokunaga, Kazutoshi; Mroz, Waldemar; Budner, Boguslaw; Korczyc, Barbara

2015-02-01

Tungsten and SiC are candidates for the structural materials of the nuclear fusion reactor walls, while CVD poly-crystal diamond is candidate for the window material under the hazardous fusion stresses. We measured the surface endurance strength of such materials with commercial displacement sensors and our recent evaluation method. The pulsed high thermal input was put into the material surfaces by UV lasers, and the surface erosions were diagnosed. With the increase of the total number of the laser shots per position, the crater depth increased gradually. The 3D and 2D pictures of the craters were gathered and compared under various experimental conditions. For example, the maximum crater depths were plotted as a function of shot accumulated numbers, from which we evaluated the threshold thermal input for the surface erosions to be induced. The simple comparison-result showed that tungsten was stronger roughly two times than SiC. Then we proposed how to monitor the surface conditions of combined samples with such diamonds coated with thin tungsten layers, when we use such samples as parts of divertor inner walls, fusion chamber first walls, and various diagnostic windows. We investigated how we might be able to measure the inner surface erosions with the same kinds of displacement sensors. We found out the measurable maximum thickness of such diamond which is useful to monitor the erosion. Additionally we showed a new scheme of fusion reactor systems with injectors for anisotropic pellets and heating lasers under the probable use of W and/or SiC.

Encapsulating micro-nano Si/SiO x into conjugated nitrogen-doped carbon as binder-free monolithic anodes for advanced lithium ion batteries

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

Wang, Jing; Zhou, Meijuan; Tan, Guoqiang

2015-01-01

Silicon monoxide, a promising silicon-based anode candidate for lithium-ion batteries, has recently attracted much attention for its high theoretical capacity, good cycle stability, low cost, and environmental benignity. Currently, the most critical challenge is to improve its low initial coulombic efficiency and significant volume changes during the charge–discharge processes. Herein, we report a binder-free monolithic electrode structure based on directly encapsulating micro-nano Si/SiOx particles into conjugated nitrogen-doped carbon frameworks to form monolithic, multi-core, cross-linking composite matrices. We utilize micro-nano Si/SiOx reduced by high-energy ball-milling SiO as active materials, and conjugated nitrogen-doped carbon formed by the pyrolysis of polyacrylonitrile both asmore » binders and conductive agents. Owing to the high electrochemical activity of Si/SiOx and the good mechanical resiliency of conjugated nitrogen-doped carbon backbones, this specific composite structure enhances the utilization efficiency of SiO and accommodates its large volume expansion, as well as its good ionic and electronic conductivity. The annealed Si/SiOx/polyacrylonitrile composite electrode exhibits excellent electrochemical properties, including a high initial reversible capacity (2734 mA h g-1 with 75% coulombic efficiency), stable cycle performance (988 mA h g-1 after 100 cycles), and good rate capability (800 mA h g-1 at 1 A g-1 rate). Because the composite is naturally abundant and shows such excellent electrochemical performance, it is a promising anode candidate material for lithium-ion batteries. The binder-free monolithic architectural design also provides an effective way to prepare other monolithic electrode materials for advanced lithium-ion batteries.« less

Development of candidate reference materials for the measurement of lead in bone

PubMed Central

Hetter, Katherine M.; Bellis, David J.; Geraghty, Ciaran; Todd, Andrew C.; Parsons, Patrick J.

2010-01-01

The production of modest quantities of candidate bone lead (Pb) reference materials is described, and an optimized production procedure is presented. The reference materials were developed to enable an assessment of the interlaboratory agreement of laboratories measuring Pb in bone; method validation; and for calibration of solid sampling techniques such as laser ablation ICP-MS. Long bones obtained from Pb-dosed and undosed animals were selected to produce four different pools of a candidate powdered bone reference material. The Pb concentrations of these pools reflect both environmental and occupational exposure levels in humans. The animal bones were harvested post mortem, cleaned, defatted, and broken into pieces using the brittle fracture technique at liquid nitrogen temperature. The bone pieces were then ground in a knife mill to produce fragments of 2-mm size. These were further ground in an ultra-centrifugal mill, resulting in finely powdered bone material that was homogenized and then sampled-scooped into vials. Testing for contamination and homogeneity was performed via instrumental methods of analysis. PMID:18421443

Template-free synthesis of renewable macroporous carbon via yeast cells for high-performance supercapacitor electrode materials.

PubMed

Sun, Hongmei; He, Wenhui; Zong, Chenghua; Lu, Lehui

2013-03-01

The urgent need for sustainable development has forced material scientists to explore novel materials for next-generation energy storage devices through a green and facile strategy. In this context, yeast, which is a large group of single cell fungi widely distributed in nature environments, will be an ideal candidate for developing effective electrode materials with fascinating structures for high-performance supercapacitors. With this in mind, herein, we present the first example of creating three-dimensional (3D) interpenetrating macroporous carbon materials via a template-free method, using the green, renewable, and widespread yeast cells as the precursors. Remarkably, when the as-prepared materials are used as the electrode materials for supercapacitors, they exhibit outstanding performance with high specific capacitance of 330 F g(-1) at a current density of 1 A g(-1), and good stability, even after 1000 charge/discharge cycles. The approach developed in this work provides a new view of making full use of sustainable resources endowed by nature, opening the avenue to designing and producing robust materials with great promising applications in high-performance energy-storage devices.

River bottom sediment from the Vistula as matrix of candidate for a new reference material.

PubMed

Kiełbasa, Anna; Buszewski, Bogusław

2017-08-01

Bottom sediments are very important in aquatic ecosystems. The sediments accumulate heavy metals and compounds belonging to the group of persistent organic pollutants. The accelerated solvent extraction (ASE) was used for extraction of 16 compounds from PAH group from bottom sediment of Vistula. For the matrix of candidate of a new reference material, moisture content, particle size, loss on ignition, pH, and total organic carbon were determined. A gas chromatograph with a selective mass detector (GC/MS) was used for the final analysis. The obtained recoveries were from 86% (SD=6.9) for anthracene to 119% (SD=5.4) for dibenzo(ah)anthracene. For the candidate for a new reference material, homogeneity and analytes content were determined using a validated method. The results are a very important part of the development and certification of a new reference materials. Copyright © 2017 Elsevier Inc. All rights reserved.

Candidate materials for advanced fire-resistant photovoltaic modules

NASA Technical Reports Server (NTRS)

Sugimura, R. S.; Otth, D. H.; Ross, R. G., Jr.; Arnett, J. C.; Samuelson, G.

1985-01-01

A cooperative, cost-sharing research effort to develop a technology base required to construct fire-ratable photovoltaic modules has resulted in the identification of several high-temperature, back-surface candidate materials capable of raising the fire-resistance of modules using hydrocarbon encapsulants to Class A and B levels. Advanced experimental module configurations have been developed using back surfaces consisting of Kapton, Tedlar laminates, metal-foils, and fiberglass materials with high-temperature coatings. Test results (October 1984; March 1985; May 1985; and October 1985) indicate that several of these advanced module configurations are capable of achieving Class B fire-resistance levels, while a few configurations can achieve Class A levels. The paper summarizes activities to date, discussing flammability failure mechanisms, time-temperature profiles, and results of Block V environmental exposure tests of a candidate material suitable for both Class B and Class A fire-resistance levels.

Evaluation of Method-Specific Extraction Variability for the Measurement of Fatty Acids in a Candidate Infant/Adult Nutritional Formula Reference Material.

PubMed

Place, Benjamin J

2017-05-01

To address community needs, the National Institute of Standards and Technology has developed a candidate Standard Reference Material (SRM) for infant/adult nutritional formula based on milk and whey protein concentrates with isolated soy protein called SRM 1869 Infant/Adult Nutritional Formula. One major component of this candidate SRM is the fatty acid content. In this study, multiple extraction techniques were evaluated to quantify the fatty acids in this new material. Extraction methods that were based on lipid extraction followed by transesterification resulted in lower mass fraction values for all fatty acids than the values measured by methods utilizing in situ transesterification followed by fatty acid methyl ester extraction (ISTE). An ISTE method, based on the identified optimal parameters, was used to determine the fatty acid content of the new infant/adult nutritional formula reference material.

Oxygen electrodes for rechargeable alkaline fuel cells

NASA Technical Reports Server (NTRS)

Swette, L.; Kackley, N.

1989-01-01

Electrocatalysts and supports for the positive electrode of moderate temperature single-unit rechargeable alkaline fuel cells are being investigated and developed. Candidate support materials were drawn from transition metal carbides, borides, nitrides and oxides which have high conductivity (greater than 1 ohm/cm). Candidate catalyst materials were selected largely from metal oxides of the form ABO sub x (where A = Pb, Cd, Mn, Ti, Zr, La, Sr, Na, and B = Pt, Pd, Ir, Ru, Ni (Co) which were investigated and/or developed for one function only, O2 reduction or O2 evolution. The electrical conductivity requirement for catalysts may be lower, especially if integrated with a higher conductivity support. All candidate materials of acceptable conductivity are subjected to corrosion testing. Materials that survive chemical testing are examined for electrochemical corrosion activity. For more stringent corrosion testing, and for further evaluation of electrocatalysts (which generally show significant O2 evolution at at 1.4 V), samples are held at 1.6 V or 0.6 V for about 100 hours. The surviving materials are then physically and chemically analyzed for signs of degradation. To evaluate the bifunctional oxygen activity of candidate catalysts, Teflon-bonded electrodes are fabricated and tested in a floating electrode configuration. Many of the experimental materials being studied have required development of a customized electrode fabrication procedure. In advanced development, the goal is to reduce the polarization to about 300 to 350 mV. Approximately six support materials and five catalyst materials were identified to date for further development. The test results will be described.

Scalable Preparation of Ternary Hierarchical Silicon Oxide-Nickel-Graphite Composites for Lithium-Ion Batteries

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

Wang , Jing; Bao, Wurigumula; Ma, Lu

2015-11-09

Silicon monoxide is a promising anode candidate because of its high theoretical capacity and good cycle performance. To solve the problems associated with this material, including large volume changes during charge-discharge processes, we report a ternary hierarchical silicon oxide–nickel–graphite composite prepared by a facile two-step ball-milling method. The composite consists of nano-Si dispersed silicon oxides embedded in nano-Ni/graphite matrices (Si@SiOx/Ni/graphite). In the composite, crystalline nano-Si particles are generated by the mechanochemical reduction of SiO by ball milling with Ni. These nano-Si dispersed oxides have abundant electrochemical activity and can provide high Li-ion storage capacity. Furthermore, the milled nano-Ni/graphite matrices stickmore » well to active materials and interconnect to form a crosslinked framework, which functions as an electrical highway and a mechanical backbone so that all silicon oxide particles become electrochemically active. Owing to these advanced structural and electrochemical characteristics, the composite enhances the utilization efficiency of SiO, accommodates its large volume expansion upon cycling, and has good ionic and electronic conductivity. The composite electrodes thus exhibit substantial improvements in electrochemical performance. This ternary hierarchical Si@SiOx/Ni/graphite composite is a promising candidate anode material for high-energy lithium-ion batteries. Additionally, the mechanochemical ball-milling method is low cost and easy to reproduce, indicating potential for the commercial production of the composite materials.« less

Scalable Preparation of Ternary Hierarchical Silicon Oxide-Nickel-Graphite Composites for Lithium-Ion Batteries.

PubMed

Wang, Jing; Bao, Wurigumula; Ma, Lu; Tan, Guoqiang; Su, Yuefeng; Chen, Shi; Wu, Feng; Lu, Jun; Amine, Khalil

2015-12-07

Silicon monoxide is a promising anode candidate because of its high theoretical capacity and good cycle performance. To solve the problems associated with this material, including large volume changes during charge-discharge processes, we report a ternary hierarchical silicon oxide-nickel-graphite composite prepared by a facile two-step ball-milling method. The composite consists of nano-Si dispersed silicon oxides embedded in nano-Ni/graphite matrices (Si@SiOx /Ni/graphite). In the composite, crystalline nano-Si particles are generated by the mechanochemical reduction of SiO by ball milling with Ni. These nano-Si dispersed oxides have abundant electrochemical activity and can provide high Li-ion storage capacity. Furthermore, the milled nano-Ni/graphite matrices stick well to active materials and interconnect to form a crosslinked framework, which functions as an electrical highway and a mechanical backbone so that all silicon oxide particles become electrochemically active. Owing to these advanced structural and electrochemical characteristics, the composite enhances the utilization efficiency of SiO, accommodates its large volume expansion upon cycling, and has good ionic and electronic conductivity. The composite electrodes thus exhibit substantial improvements in electrochemical performance. This ternary hierarchical Si@SiOx /Ni/graphite composite is a promising candidate anode material for high-energy lithium-ion batteries. Additionally, the mechanochemical ball-milling method is low cost and easy to reproduce, indicating potential for the commercial production of the composite materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Emergence of a few distinct structures from a single formal structure type during high-throughput screening for stable compounds: The case of RbCuS and RbCuSe

NASA Astrophysics Data System (ADS)

Trimarchi, Giancarlo; Zhang, Xiuwen; DeVries Vermeer, Michael J.; Cantwell, Jacqueline; Poeppelmeier, Kenneth R.; Zunger, Alex

2015-10-01

Theoretical sorting of stable and synthesizable "missing compounds" from those that are unstable is a crucial step in the discovery of previously unknown functional materials. This active research area often involves high-throughput (HT) examination of the total energy of a given compound in a list of candidate formal structure types (FSTs), searching for those with the lowest energy within that list. While it is well appreciated that local relaxation methods based on a fixed list of structure types can lead to inaccurate geometries, this approach is widely used in HT studies because it produces answers faster than global optimization methods (that vary lattice vectors and atomic positions without local restrictions). We find, however, a different failure mode of the HT protocol: specific crystallographic classes of formal structure types each correspond to a series of chemically distinct "daughter structure types" (DSTs) that have the same space group but possess totally different local bonding configurations, including coordination types. Failure to include such DSTs in the fixed list of examined candidate structures used in contemporary high-throughput approaches can lead to qualitative misidentification of the stable bonding pattern, not just quantitative inaccuracies. In this work, we (i) clarify the understanding of the general DST-FST relationship, thus improving current discovery HT approaches, (ii) illustrate this failure mode for RbCuS and RbCuSe (the latter being a yet unreported compound and is predicted here) by developing a synthesis method and accelerated crystal-structure determination, and (iii) apply the genetic-algorithm-based global space-group optimization (GSGO) approach which is not vulnerable to the failure mode of HT searches of fixed lists, demonstrating a correct identification of the stable DST. The broad impact of items (i)-(iii) lies in the demonstrated predictive ability of a more comprehensive search strategy than what is currently used—use HT calculations as the preliminary broad screening followed by unbiased GSGO of the final candidates.

Structural Materials and Fuels for Space Power Plants

NASA Technical Reports Server (NTRS)

Bowman, Cheryl; Busby, Jeremy; Porter, Douglas

2008-01-01

A fission reactor combined with Stirling convertor power generation is one promising candidate in on-going Fission Surface Power (FSP) studies for future lunar and Martian bases. There are many challenges for designing and qualifying space-rated nuclear power plants. In order to have an affordable and sustainable program, NASA and DOE designers want to build upon the extensive foundation in nuclear fuels and structural materials. This talk will outline the current Fission Surface Power program and outline baseline design options for a lunar power plant with an emphasis on materials challenges. NASA first organized an Affordable Fission Surface Power System Study Team to establish a reference design that could be scrutinized for technical and fiscal feasibility. Previous papers and presentations have discussed this study process in detail. Considerations for the reference design included that no significant nuclear technology, fuels, or material development were required for near term use. The desire was to build upon terrestrial-derived reactor technology including conventional fuels and materials. Here we will present an overview of the reference design, Figure 1, and examine the materials choices. The system definition included analysis and recommendations for power level and life, plant configuration, shielding approach, reactor type, and power conversion type. It is important to note that this is just one concept undergoing refinement. The design team, however, understands that materials selection and improvement must be an integral part of the system development.

Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate.

PubMed

Xiao, Bo; Li, Yan-Chun; Yu, Xue-Fang; Cheng, Jian-Bo

2016-12-28

Recently, a new two-dimensional (2D) carbon allotrope named penta-graphene was theoretically proposed ( Zhang , S. ; et al. Proc. Natl. Acad. Sci. U.S.A. 2015 , 112 , 2372 ) and has been predicted to be the promising candidate for broad applications due to its intriguing properties. In this work, by using first-principles simulation, we have further extended the potential application of penta-graphene as the anode material for a Li/Na-ion battery. Our results show that the theoretical capacity of Li/Na ions on penta-graphene reaches up to 1489 mAh·g -1 , which is much higher than that of most of the previously reported 2D anode materials. Meanwhile, the calculated low open-circuit voltages (from 0.24 to 0.60 V), in combination with the low diffusion barriers (≤0.33 eV) and the high electronic conductivity during the whole Li/Na ions intercalation processes, further show the advantages of penta-graphene as the anode material. Particularly, molecular dynamics simulation (300 K) reveals that Li ion could freely diffuse on the surface of penta-graphene, and thus the ultrafast Li ion diffusivity is expected. Superior performance of penta-graphene is further confirmed by comparing with the other 2D anode materials. The light weight and unique atomic arrangement (with isotropic furrow paths on the surface) of penta-graphene are found to be mainly responsible for the high Li/Na ions storage capacity and fast diffusivity. In this regard, except penta-graphene, many other recently proposed 2D metal-free materials with pentagonal Cairo-tiled structures may be the potential candidates as the Li/Na-ion battery anodes.

Corrosion Behavior Of Potential Structural Materials For Use In Nitrate Salts Based Solar Thermal Power Plants

NASA Astrophysics Data System (ADS)

Summers, Kodi

The increasing global demand for electricity is straining current resources of fossil fuels and placing increased pressure on the environment. The implementation of alternative sources of energy is paramount to satisfying global electricity demand while reducing reliance on fossil fuels and lessen the impact on the environment. Concentrated solar power (CSP) plants have the ability to harness solar energy at an efficiency not yet achieved by other technologies designed to convert solar energy to electricity. The problem of intermittency in power production seen with other renewable technologies can be virtually eliminated with the use of molten salt as a heat transfer fluid in CSP plants. Commercial and economic success of CSP plants requires operating at maximum efficiency and capacity which requires high temperature and material reliability. This study investigates the corrosion behavior of structural alloys and electrochemical testing in molten nitrate salts at three temperatures common to CSP plants. Corrosion behavior was evaluated using gravimetric and inductively-coupled plasma optical emission spectroscopy (ICP-OES) analysis. Surface morphology was studied using scanning electron microscopy. Surface oxide structure and chemistry was characterized using X-ray diffraction, Raman spectroscopy, energy dispersive spectroscopy, and X-ray photoelectron spectroscopy. Electrochemical behavior of candidate structural alloys Alloy 4130, austenitic stainless steel 316, and super-austenitic Incoloy 800H was evaluated using potentiodynamic polarization characteristics. It was observed that electrochemical evaluation of these candidate materials correlates well with the corrosion behavior observed from gravimetric and ICP-OES analysis. This study identifies that all three alloys exhibited acceptable corrosion in 300°C molten salt while elevated salt temperatures require the more corrosion resistant alloys, stainless steel 316 and 800H. Characterization of the sample surfaces revealed the presence of spinels at lower temperatures, while Fe2O3 was the dominant iron oxide at higher temperatures for each alloy. It is recommended that accelerated corrosion testing be investigated further to evaluate alloys in other molten salt systems considered for utilization in concentrated solar power plants.

The Effect of Instructional Technology and Material Design Course to Teacher Candidates' Gaining of Technological Pedagogical Content Knowledge Competencies

ERIC Educational Resources Information Center

Tozkoparam, Süleyman Burak; Kiliç, Muhammet Emre; Usta, Ertugrul

2015-01-01

The aim of this study is to determine Technological Pedagogical Content Knowledge (TPACK) Competencies of teacher candidates in Turkish Teaching department of Mevlana (Rumi) University and the effect of Instructional Technology and Material Design (ITMD) Course on TPACK. The study is a study of quantitative type and single-group pretest-posttest…

Interaction of Au, Ag, and Bi ions with Ba2YCu3O(7-y) - Implications for superconductor applications

NASA Technical Reports Server (NTRS)

Hepp, A. F.; Gaier, J. R.; Pouch, J. J.; Hambourger, P. D.

1988-01-01

Results are presented on the reactions of Au, Ag, and Bi ions with Ba2YCu3O(7-y) oxides and on the properties of the resultant materials. The results indicate that Au(3+) structural chemistry makes gold an excellent candidate for multiphase structures of the Ba2Y(Cu/1-x/Au/x/)3O(7-y)-type substituted superconductors. Silver is structurally and chemically compatible with the perovskite structure, but when it forms a second phase, it does so without the destruction of the superconducting phase, making silver a useful metal for metal/ceramic applications. On the other hand, bismuth was shown to degrade Tc phase or to form other phases, indicating that it may not be useful in applications with rare-earth-based superconductors.

Development of tritium permeation barriers on Al base in Europe

NASA Astrophysics Data System (ADS)

Benamati, G.; Chabrol, C.; Perujo, A.; Rigal, E.; Glasbrenner, H.

The development of the water cooled lithium lead (WCLL) DEMO fusion reactor requires the production of a material capable of acting as a tritium permeation barrier (TPB). In the DEMO blanket reactor permeation barriers on the structural material are required to reduce the tritium permeation from the Pb-17Li or the plasma into the cooling water to acceptable levels (<1 g/d). Because of experimental work previously performed, one of the most promising TPB candidates is A1 base coatings. Within the EU a large R&D programme is in progress to develop a TPB fabrication technique, compatible with the structural materials requirements and capable of producing coatings with acceptable performances. The research is focused on chemical vapour deposition (CVD), hot dipping, hot isostatic pressing (HIP) technology and spray (this one developed also for repair) deposition techniques. The final goal is to select a reference technique to be used in the blanket of the DEMO reactor and in the ITER test module fabrication. The activities performed in four European laboratories are summarised here.

Hyperthermal Environments Simulator for Nuclear Rocket Engine Development

NASA Technical Reports Server (NTRS)

Litchford, Ron J.; Foote, John P.; Clifton, W. B.; Hickman, Robert R.; Wang, Ten-See; Dobson, Christopher C.

2011-01-01

An arc-heater driven hyperthermal convective environments simulator was recently developed and commissioned for long duration hot hydrogen exposure of nuclear thermal rocket materials. This newly established non-nuclear testing capability uses a high-power, multi-gas, wall-stabilized constricted arc-heater to produce hightemperature pressurized hydrogen flows representative of nuclear reactor core environments, excepting radiation effects, and is intended to serve as a low-cost facility for supporting non-nuclear developmental testing of hightemperature fissile fuels and structural materials. The resulting reactor environments simulator represents a valuable addition to the available inventory of non-nuclear test facilities and is uniquely capable of investigating and characterizing candidate fuel/structural materials, improving associated processing/fabrication techniques, and simulating reactor thermal hydraulics. This paper summarizes facility design and engineering development efforts and reports baseline operational characteristics as determined from a series of performance mapping and long duration capability demonstration tests. Potential follow-on developmental strategies are also suggested in view of the technical and policy challenges ahead. Keywords: Nuclear Rocket Engine, Reactor Environments, Non-Nuclear Testing, Fissile Fuel Development.

Carbon-doped Ge2Sb2Te5 phase change material: A candidate for high-density phase change memory application

NASA Astrophysics Data System (ADS)

Zhou, Xilin; Wu, Liangcai; Song, Zhitang; Rao, Feng; Zhu, Min; Peng, Cheng; Yao, Dongning; Song, Sannian; Liu, Bo; Feng, Songlin

2012-10-01

Carbon-doped Ge2Sb2Te5 material is proposed for high-density phase-change memories. The carbon doping effects on electrical and structural properties of Ge2Sb2Te5 are studied by in situ resistance and x-ray diffraction measurements as well as optical spectroscopy. C atoms are found to significantly enhance the thermal stability of amorphous Ge2Sb2Te5 by increasing the degree of disorder of the amorphous phase. The reversible electrical switching capability of the phase-change memory cells is improved in terms of power consumption with carbon addition. The endurance of ˜2.1 × 104 cycles suggests that C-doped Ge2Sb2Te5 film will be a potential phase-change material for high-density storage application.

Plasmonic materials based on ZnO films and their potential for developing broadband middle-infrared absorbers

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

Kesim, Yunus E., E-mail: yunus.kesim@bilkent.edu.tr; Battal, Enes; UNAM-National Nanotechnology Research Center, Bilkent University, Ankara, 06800

2014-07-15

Noble metals such as gold and silver have been extensively used for plasmonic applications due to their ability to support plasmons, yet they suffer from high intrinsic losses. Alternative plasmonic materials that offer low loss and tunability are desired for a new generation of efficient and agile devices. In this paper, atomic layer deposition (ALD) grown ZnO is investigated as a candidate material for plasmonic applications. Optical constants of ZnO are investigated along with figures of merit pertaining to plasmonic waveguides. We show that ZnO can alleviate the trade-off between propagation length and mode confinement width owing to tunable dielectricmore » properties. In order to demonstrate plasmonic resonances, we simulate a grating structure and computationally demonstrate an ultra-wide-band (4–15 μm) infrared absorber.« less

Developing radiopure copper alloys for high strength low background applications

NASA Astrophysics Data System (ADS)

Suriano, A. M.; Howard, S. M.; Christofferson, C. D.; Arnquist, I. J.; Hoppe, E. W.

2018-01-01

High purity copper continues to play an important role for ultra-low-background detectors. Measurements of rare nuclear decays, e.g. neutrinoless double-beta decay, and searches for dark matter can require construction materials that have high thermal and electrical conductivity with bulk radiopurity less than one micro-Becquerel per kilogram. However, experiments currently using components constructed of radiopure electroformed copper struggle with design of structural and mechanical parts due to the physical properties of pure copper. A higher strength material which possesses many of the favorable attributes of copper yet remains radiopure is desired. A number of copper alloying candidates which may provide improved mechanical performance and adequate radiopurity were considered. Development of an electrodeposited copper-chrome alloy from additive-free electrolyte systems is discussed. The resulting material is shown to possess high strength and meets the aforementioned radiopurity goals.

Evaluation of cellular glasses for solar mirror panel applications

NASA Technical Reports Server (NTRS)

Giovan, M.; Adams, M.

1979-01-01

An analytic technique was developed to compare the structural and environmental performance of various materials considered for backing of second surface glass solar mirrors. Cellular glass was determined to be a prime candidate due to its low cost, high stiffness-to-weight ratio, thermal expansion match to mirror glass, evident minimal environmental impact and chemical and dimensional stability under conditions of use. The current state of the art and anticipated developments in cellular glass technology are discussed; material properties are correlated to design requirements. A mathematical model is presented which suggests a design approach which allows minimization of life cost; and, a mechanical and environmental testing program is outlined, designed to provide a material property basis for development of cellular glass hardware, together with methodology for collecting lifetime predictive data. Preliminary material property data from measurements are given. Microstructure of several cellular materials is shown, and sensitivity of cellular glass to freeze-thaw degradation and to slow crack growth is discussed. The effect of surface coating is addressed.

Novel Rubidium Poly-Nitrogen Energetic Materials

NASA Astrophysics Data System (ADS)

Huff, Ashley; Steele, Brad; Oleynik, Ivan

High-nitrogen content compounds are being actively explored with the goal of discovering new high-energy density materials with performance surpassing the conventional energetic materials such as HMX or RDX. Although pure polynitrogen compounds such as cg-N are predicted to deliver 10-fold increase in detonation pressure and detonation velocity of 30 km/s, their synthesis and recovery at ambient conditions is problematic. Doping polynitrogens with other elements is a viable route to promote metastability while reducing synthesis pressure. In this work, rubidium poly-nitrides are being investigated as candidates for high energy density materials. Using first principles evolutionary structure search methods performed at varying stoichiometries and several pressures ranging from 0 to 100 GPa, several new polynitrogen compounds have been discovered. The phase diagrams containing thermodynamically stable and lowest metastable phases are calculated and the dynamical stability of the promising materials is investigated at various pressures. Raman spectra and XRD patterns are also calculated to provide experimentally relevant information useful for identification of these compounds during their synthesis.

The Role of FRET in Non-Fullerene Organic Solar Cells: Implications for Molecular Design.

PubMed

Gautam, Bhoj R; Younts, Robert; Carpenter, Joshua; Ade, Harald; Gundogdu, Kenan

2018-04-19

Non-fullerene acceptors (NFAs) have been demonstrated to be promising candidates for highly efficient organic photovoltaic (OPV) devices. The tunability of absorption characteristics of NFAs can be used to make OPVs with complementary donor-acceptor absorption to cover a broad range of the solar spectrum. However, both charge transfer from donor to acceptor moieties and energy (energy) transfer from high-bandgap to low-bandgap materials are possible in such structures. Here, we show that when charge transfer and exciton transfer processes are both present, the coexistence of excitons in both domains can cause a loss mechanism. Charge separation of excitons in a low-bandgap material is hindered due to exciton population in the larger bandgap acceptor domains. Our results further show that excitons in low-bandgap material should have a relatively long lifetime compared to the transfer time of excitons from higher bandgap material in order to contribute to the charge separation. These observations provide significant guidance for design and development of new materials in OPV applications.

Carbon Contamination During Ion Irradiation - Accurate Detection and Characterization of its Effect on Microstructure of Ferritic/Martensitic Steels

DOE PAGES

Wang, Jing; Toloczko, Mychailo B.; Kruska, Karen; ...

2017-11-17

Accelerator-based ion beam irradiation techniques have been used to study radiation effects in materials for decades. Although carbon contamination induced by ion beams in target materials is a well-known issue in some material systems, it has not been fully characterized nor quantified for studies in ferritic/martensitic (F/M) steels that are candidate materials for applications such as core structural components in advanced nuclear reactors. It is an especially important issue for this class of material because of the strong effect of carbon level on precipitate formation. In this paper, the ability to quantify carbon contamination using three common techniques, namely time-of-flightmore » secondary ion mass spectroscopy (ToF-SIMS), atom probe tomography (APT), and transmission electron microscopy (TEM) is compared. Their effectiveness and shortcomings in determining carbon contamination are presented and discussed. The corresponding microstructural changes related to carbon contamination in ion irradiated F/M steels are also presented and briefly discussed.« less

Immobilization of fungal laccase onto a nonionic surfactant-modified clay material: application to PAH degradation.

PubMed

Chang, Yi-Tang; Lee, Jiunn-Fwu; Liu, Keng-Hua; Liao, Yi-Fen; Yang, Vivian

2016-03-01

Nonionic surfactant-modified clay is a useful absorbent material that effectively removes hydrophobic organic compounds from soil/groundwater. We developed a novel material by applying an immobilized fungal laccase onto nonionic surfactant-modified clay. Low-water-solubility polycyclic aromatic hydrocarbons (PAHs) (naphthalene/phenanthrene) were degraded in the presence of this bioactive material. PAH degradation by free laccase was higher than degradation by immobilized laccase when the surfactant concentration was allowed to form micelles. PAH degradation by immobilized laccase on TX-100-modified clay was higher than on Brij35-modified clay. Strong laccase degradation of PAH can be maintained by adding surfactant monomers or micelles. The physical adsorption of nonionic surfactants onto clay plays an important role in PAH degradation by laccase, which can be explained by the structure and molecular interactions of the surfactant with the clay and enzyme. A system where laccase is immobilized onto TX-100-monomer-modified clay is a good candidate bioactive material for in situ PAHs bioremediation.

Advanced carbon materials/olivine LiFePO4 composites cathode for lithium ion batteries

NASA Astrophysics Data System (ADS)

Gong, Chunli; Xue, Zhigang; Wen, Sheng; Ye, Yunsheng; Xie, Xiaolin

2016-06-01

In the past two decades, LiFePO4 has undoubtly become a competitive candidate for the cathode material of the next-generation LIBs due to its abundant resources, low toxicity and excellent thermal stability, etc. However, the poor electronic conductivity as well as low lithium ion diffusion rate are the two major drawbacks for the commercial applications of LiFePO4 especially in the power energy field. The introduction of highly graphitized advanced carbon materials, which also possess high electronic conductivity, superior specific surface area and excellent structural stability, into LiFePO4 offers a better way to resolve the issue of limited rate performance caused by the two obstacles when compared with traditional carbon materials. In this review, we focus on advanced carbon materials such as one-dimensional (1D) carbon (carbon nanotubes and carbon fibers), two-dimensional (2D) carbon (graphene, graphene oxide and reduced graphene oxide) and three-dimensional (3D) carbon (carbon nanotubes array and 3D graphene skeleton), modified LiFePO4 for high power lithium ion batteries. The preparation strategies, structure, and electrochemical performance of advanced carbon/LiFePO4 composite are summarized and discussed in detail. The problems encountered in its application and the future development of this composite are also discussed.

Integrated Design Software Predicts the Creep Life of Monolithic Ceramic Components

NASA Technical Reports Server (NTRS)

1996-01-01

Significant improvements in propulsion and power generation for the next century will require revolutionary advances in high-temperature materials and structural design. Advanced ceramics are candidate materials for these elevated-temperature applications. As design protocols emerge for these material systems, designers must be aware of several innate features, including the degrading ability of ceramics to carry sustained load. Usually, time-dependent failure in ceramics occurs because of two different, delayedfailure mechanisms: slow crack growth and creep rupture. Slow crack growth initiates at a preexisting flaw and continues until a critical crack length is reached, causing catastrophic failure. Creep rupture, on the other hand, occurs because of bulk damage in the material: void nucleation and coalescence that eventually leads to macrocracks which then propagate to failure. Successful application of advanced ceramics depends on proper characterization of material behavior and the use of an appropriate design methodology. The life of a ceramic component can be predicted with the NASA Lewis Research Center's Ceramics Analysis and Reliability Evaluation of Structures (CARES) integrated design programs. CARES/CREEP determines the expected life of a component under creep conditions, and CARES/LIFE predicts the component life due to fast fracture and subcritical crack growth. The previously developed CARES/LIFE program has been used in numerous industrial and Government applications.

Charge Photogeneration Experiments and Theory in Aggregated Squaraine Donor Materials for Improved Organic Solar Cell Efficiencies

NASA Astrophysics Data System (ADS)

Spencer, Susan Demetra

Fossil fuel consumption has a deleterious effect on humans, the economy, and the environment. Renewable energy technologies must be identified and commercialized as quickly as possible so that the transition to renewables can happen at a minimum of financial and societal cost. Organic photovoltaic cells offer an inexpensive and disruptive energy technology, if the scientific challenges of understanding charge photogeneration in a bulk heterojunction material can be overcome. At RIT, there is a strong focus on creating new materials that can both offer fundamentally important scientific results relating to quantum photophysics, and simultaneously assist in the development of strong candidates for future commercialized technology. In this presentation, the results of intensive materials characterization of a series of squaraine small molecule donors will be presented, as well as a full study of the fabrication and optimization required to achieve >4% photovoltaic cell efficiency. A relationship between the molecular structure of the squaraine and its ability to form nanoscale aggregates will be explored. Squaraine aggregation will be described as a unique optoelectronic probe of the structure of the bulk heterojunction. This relationship will then be utilized to explain changes in crystallinity that impact the overall performance of the devices. Finally, a predictive summary will be given for the future of donor material research at RIT.

Vibroacoustic Characterization of Corrugated-Core and Honeycomb-Core Sandwich Panels

NASA Technical Reports Server (NTRS)

Allen, Albert; Schiller, Noah

2016-01-01

The vibroacoustic characteristics of two candidate launch vehicle fairing structures, corrugated- core and honeycomb-core sandwich designs, were studied. The study of these structures has been motivated by recent risk reduction efforts focused on mitigating high noise levels within the payload bays of large launch vehicles during launch. The corrugated-core sandwich concept is of particular interest as a dual purpose structure due to its ability to harbor resonant noise control systems without appreciably adding mass or taking up additional volume. Specifically, modal information, wavelength dispersion, and damping were determined from a series of vibrometer measurements and subsequent analysis procedures carried out on two test panels. Numerical and analytical modeling techniques were also used to assess assumed material properties and to further illuminate underlying structural dynamic aspects. Results from the tests and analyses described herein may serve as a reference for additional vibroacoustic studies involving these or similar structures.

Development of potential candidate reference materials for drugs in bottom sediment, cod and herring tissues.

PubMed

Baranowska, Irena; Buszewski, Bogusław; Namieśnik, Jacek; Konieczka, Piotr; Magiera, Sylwia; Polkowska-Motrenko, Halina; Kościelniak, Paweł; Gadzała-Kopciuch, Renata; Woźniakiewicz, Aneta; Samczyński, Zbigniew; Kochańska, Kinga; Rutkowska, Małgorzata

2017-02-01

Regular use of a reference material and participation in a proficiency testing program can improve the reliability of analytical data. This paper presents the preparation of candidate reference materials for the drugs metoprolol, propranolol, carbamazepine, naproxen, and acenocoumarol in freshwater bottom sediment and cod and herring tissues. These reference materials are not available commercially. Drugs (between 7 ng/g and 32 ng/g) were added to the samples, and the spiked samples were freeze-dried, pulverized, sieved, homogenized, bottled, and sterilized by γ-irradiation to prepare the candidate materials. Procedures for extraction and liquid chromatography coupled with tandem mass spectrometry were developed to determine the drugs of interest in the studied material. Each target drug was quantified using two analytical procedures, and the results obtained from these two procedures were in good agreement with each other. Stability and homogeneity assessments were performed, and the relative uncertainties due to instability (for an expiration date of 12 months) and inhomogeneity were 10-25% and 4.0-6.8%, respectively. These procedures will be useful in the future production of reference materials. Copyright © 2016 Elsevier Ltd. All rights reserved.

Characterization of NIES CRM No. 23 Tea Leaves II for the determination of multielements.

PubMed

Mori, Ikuko; Ukachi, Miyuki; Nagano, Kimiyo; Ito, Hiroyasu; Yoshinaga, Jun; Nishikawa, Masataka

2010-05-01

A candidate environmental certified reference material (CRM) for the determination of multielements in tea leaves and materials of similar matrix, NIES CRM No. 23 Tea Leaves II, has been developed and characterized by the National Institute for Environmental Studies (NIES), Japan. The origin of the material was tea leaves, which were ground, sieved through a 106-microm mesh, homogenized, and then subdivided into amber glass bottles. The results of homogeneity and stability tests indicated that the material was sufficiently homogeneous and stable for use as a reference material. The property values of the material were statistically determined based on chemical analyses by a network of laboratories using a wide range of methods. Sixteen laboratories participated in the characterization, and nine certified values and five reference values were obtained. These property values of the candidate CRM, which are expressed as mass fractions, were close to the median and/or mean values of the mass fractions of elements in various tea products. The candidate CRM is appropriate for use in analytical quality control and in the evaluation of methods used in the analysis of tea and materials of similar matrix.

Microwave absorbance properties of zirconium–manganese substituted cobalt nanoferrite as electromagnetic (EM) wave absorbers

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

Khan, Kishwar, E-mail: kknano@hotmail.com; Rehman, Sarish

2014-02-01

Highlights: • Good candidates for EM materials with low reflectivity. • Good candidates for broad bandwidth at microwave frequency. • Microwave absorbing bandwidth was modulated simply by manipulating the Zr–Mn. • Higher the Zr–Mn content, the higher absorption rates for the electromagnetic radiation. • The predicted reflection loss shows that this can be used for thin ferrite absorber. - Abstract: Nanocrystalline Zr–Mn (x) substituted Co ferrite having chemical formula CoFe{sub 2−2x}Zr{sub x}Mn{sub x}O{sub 4} (x = 0.1–0.4) was prepared by co-precipitation technique. Combining properties such as structural, electrical, magnetic and reflection loss characteristics. Crystal structure and surface morphology of themore » calcined samples were characterized by X-ray diffraction analysis (XRD) and scanning electron microscopy (SEM). By using two point probe homemade resistivity apparatus to find resistivity of the sample. Electromagnetic (EM) properties are measured through RF impedance/materials analyzer over 1 MHz–3 GHz. The room-temperature dielectric measurements show dispersion behavior with increasing frequency from 100 Hz to 3 MHz. Magnetic properties confirmed relatively strong dependence of saturation magnetization on Zr–Mn composition. Curie temperature is also found to decrease linearly with addition of Zr–Mn. Furthermore, comprehensive analysis of microwave reflection loss (RL) is carried out as a function of substitution, frequency, and thickness. Composition accompanying maximum microwave absorption is suggested.« less

Screening possible solid electrolytes by calculating the conduction pathways using Bond Valence method

NASA Astrophysics Data System (ADS)

Gao, Jian; Chu, Geng; He, Meng; Zhang, Shu; Xiao, RuiJuan; Li, Hong; Chen, LiQuan

2014-08-01

Inorganic solid electrolytes have distinguished advantages in terms of safety and stability, and are promising to substitute for conventional organic liquid electrolytes. However, low ionic conductivity of typical candidates is the key problem. As connective diffusion path is the prerequisite for high performance, we screen for possible solid electrolytes from the 2004 International Centre for Diffraction Data (ICDD) database by calculating conduction pathways using Bond Valence (BV) method. There are 109846 inorganic crystals in the 2004 ICDD database, and 5295 of them contain lithium. Except for those with toxic, radioactive, rare, or variable valence elements, 1380 materials are candidates for solid electrolytes. The rationality of the BV method is approved by comparing the existing solid electrolytes' conduction pathways we had calculated with those from experiments or first principle calculations. The implication for doping and substitution, two important ways to improve the conductivity, is also discussed. Among them Li2CO3 is selected for a detailed comparison, and the pathway is reproduced well with that based on the density functional studies. To reveal the correlation between connectivity of pathways and conductivity, α/ γ-LiAlO2 and Li2CO3 are investigated by the impedance spectrum as an example, and many experimental and theoretical studies are in process to indicate the relationship between property and structure. The BV method can calculate one material within a few minutes, providing an efficient way to lock onto targets from abundant data, and to investigate the structure-property relationship systematically.

Development of spacecraft toxic gas removal agents

NASA Technical Reports Server (NTRS)

Moore, R. S.

1974-01-01

The development of agents suitable for removal of CO, NH3, NO2 SO2, and other spacecraft contaminants was approached. An extensive technology review was conducted, yielding a large number of potentially useful materials and/or concepts. Because the two toxic gases of greatest interest, CO and NH3, suggested the use of catalysis principles emphasis was placed on the intestigation of transition metals on various supports. Forty-three materials were prepared or obtained and 25 were tested. Gas chromatographic techniques were used to find seven candidates that effectively managed various combinations of the four toxic gases: none managed all. These candidates included six transition metal-containing preparations and a supported LiOH material. Three commercial charcoals showed some efficiency for the toxic gases and may constitute candidates for enhancement by doping with transition metals.

International collaborative study for the calibration of proposed International Standards for thromboplastin, rabbit, plain, and for thromboplastin, recombinant, human, plain.

PubMed

van den Besselaar, A M H P; Chantarangkul, V; Angeloni, F; Binder, N B; Byrne, M; Dauer, R; Gudmundsdottir, B R; Jespersen, J; Kitchen, S; Legnani, C; Lindahl, T L; Manning, R A; Martinuzzo, M; Panes, O; Pengo, V; Riddell, A; Subramanian, S; Szederjesi, A; Tantanate, C; Herbel, P; Tripodi, A

2018-01-01

Essentials Two candidate International Standards for thromboplastin (coded RBT/16 and rTF/16) are proposed. International Sensitivity Index (ISI) of proposed standards was assessed in a 20-centre study. The mean ISI for RBT/16 was 1.21 with a between-centre coefficient of variation of 4.6%. The mean ISI for rTF/16 was 1.11 with a between-centre coefficient of variation of 5.7%. Background The availability of International Standards for thromboplastin is essential for the calibration of routine reagents and hence the calculation of the International Normalized Ratio (INR). Stocks of the current Fourth International Standards are running low. Candidate replacement materials have been prepared. This article describes the calibration of the proposed Fifth International Standards for thromboplastin, rabbit, plain (coded RBT/16) and for thromboplastin, recombinant, human, plain (coded rTF/16). Methods An international collaborative study was carried out for the assignment of International Sensitivity Indexes (ISIs) to the candidate materials, according to the World Health Organization (WHO) guidelines for thromboplastins and plasma used to control oral anticoagulant therapy with vitamin K antagonists. Results Results were obtained from 20 laboratories. In several cases, deviations from the ISI calibration model were observed, but the average INR deviation attributabled to the model was not greater than 10%. Only valid ISI assessments were used to calculate the mean ISI for each candidate. The mean ISI for RBT/16 was 1.21 (between-laboratory coefficient of variation [CV]: 4.6%), and the mean ISI for rTF/16 was 1.11 (between-laboratory CV: 5.7%). Conclusions The between-laboratory variation of the ISI for candidate material RBT/16 was similar to that of the Fourth International Standard (RBT/05), and the between-laboratory variation of the ISI for candidate material rTF/16 was slightly higher than that of the Fourth International Standard (rTF/09). The candidate materials have been accepted by WHO as the Fifth International Standards for thromboplastin, rabbit plain, and thromboplastin, recombinant, human, plain. © 2017 International Society on Thrombosis and Haemostasis.

Ductility recovery in structural materials for spallation targets by post-irradiation annealing

NASA Astrophysics Data System (ADS)

Chen, J.; Jung, P.; Rödig, M.; Ullmaier, H.; Bauer, G. S.

2005-08-01

Low temperature irradiation embrittlement is one of the major criteria to determine the lifetime of spallation targets. Embrittlement is especially high at low service temperatures, e.g. 250 °C in liquid-mercury sources. It was the aim of the present study to investigate the effect of post-irradiation annealing on the mechanical properties of irradiated structural materials. The specimens used were obtained from spent target components of operating spallation facilities (Los Alamos Neutron Science Center, LANSCE, and the Spallation Neutron Source at Rutherford-Appleton Laboratory, ISIS). The investigated materials include a nickel-based alloy (IN718), an austenitic stainless steel (AISI 304L), a martensitic stainless steel (DIN 1.4926) and a refractory metal (Ta) which experienced 800 MeV proton irradiation to fluences of several 10 25 p/m 2. The specimens were annealed from 300 °C to 700 °C for 1 to 10 h, respectively, and their mechanical property changes were subsequently investigated at room temperature and 250 °C by tensile testing and fracture surface analysis conducted by scanning electron microscopy (SEM). The results showed that the ductility recovered to a large degree in 304L and DIN 1.4926 materials while their strength remained almost unchanged. Especially for DIN 1.4926, the ductility recovery is remarkable already at 400 °C. Together with its favorable thermo-mechanical properties, this makes martensitic steel a candidate for structural materials of spallation targets.

The Effect of Molar Ratio on Crystal Structure and Morphology of Nd1+XFeO3 (X=0.1, 0.2, and 0.3) Oxide Alloy Material Synthesized by Solid State Reaction Method

NASA Astrophysics Data System (ADS)

Zharvan, V.; Kamaruddin, Y. N. I.; Samnur, S.; Sujiono, E. H.

2017-05-01

Perovskite is an oxide alloy which has a structure of ABO3 (A = La, Nd, Sm, Gd; B = Fe, CO, Ni) and has an excellent catalytic activity and gas-sensitive properties. NdFeO3 and its derivatives are important candidates for gas sensors. In this study, the effect of molar ratio (x=0.1, 0.2 and 0.3) on crystal structure and morphology of Nd1+xFeO3 synthesized by solid state reaction method has been studied. Nd1+xFeO3 samples were prepared using Nd2O3 (99.99 %) and Fe2O3 (99.99 %) as precursors. All of the samples were characterized using XRD to identify the phase and using SEM to identify the morphology. The synthesized Nd1+xFeO3 samples showed that molar ratio strongly influences the intensity, FWHM, and crystalline size. The samples of Nd1+xFeO3 have homogenous morphology and have three major phases, i.e. NdFeO3, Nd(OH)3 and Nd2O3 with crystalline sizes of NdFeO3 of 137.0±0.1 nm, 152.2±0.1 nm and 137.0±0.1 nm for Nd1.1FeO3, Nd1.2FeO3, and Nd1.3FeO3, respectively. These results indicated that the sample of Nd1.2FeO3 was a good candidate for a gas sensor material.

Characterization of pi-Conjugated Polymers for Transistor and Photovoltaic Applications

NASA Astrophysics Data System (ADS)

Paulsen, Bryan D.

pi-Conjugated polymers represent a unique class of optoelectronic materials. Being polymers, they are solution processable and inherently "soft" materials. This makes them attractive candidates for the production of roll-to-roll printed electronic devices on flexible substrates. The optical and electronic properties of pi-conjugated polymers are synthetically tunable allowing material sets to be tailored to specific applications. Two of the most heavily researched applications are the thin film transistor, the building block of electronic circuits, and the bulk heterojunction solar cell, which holds great potential as a renewable energy source. Key to developing commercially feasible pi-conjugated polymer devices is a thorough understanding of the electronic structure and charge transport behavior of these materials in relationship with polymer structure. Here this structure property relationship has been investigated through electrical and electrochemical means in concert with a variety of other characterization techniques and device test beds. The tunability of polymer optical band gap and frontier molecular orbital energy level was investigated in systems of vinyl incorporating statistical copolymers. Energy levels and band gaps are crucial parameters in developing efficient photovoltaic devices, with control of these parameters being highly desirable. Additionally, charge transport and density of electronic states were investigated in pi-conjugated polymers at extremely high electrochemically induced charge density. Finally, the effects of molecular weight on pi-conjugated polymer optical properties, energy levels, charge transport, morphology, and photovoltaic device performance was examined.

Fabrication of dense and porous Li2ZrO3 nanofibers with electrospinning method

NASA Astrophysics Data System (ADS)

Yuan, Kangkang; Jin, Xiaotong; Xu, Chonghe; Wang, Xinqiang; Zhang, Guanghui; Zhu, Luyi; Xu, Dong

2018-06-01

Lithium zirconate (Li2ZrO3) has been extensively studied as CO2 capture material, electrolyte material and coating material. Most of the previous studies were focused on the powder structure, while seldom taking a consideration of fiber structure. In the present work, dense and porous Li2ZrO3 nanofibers with surface area of 16 m2 g-1 were prepared by electrospinning method. IR spectral results showed that lithium carbonate was the intermediate for the formation of Li2ZrO3. The phase transformation of Li2ZrO3 underwent the pathway of amorphous precursor fibers, tetragonal zirconia and Li2CO3, tetragonal Li2ZrO3, and monoclinic Li2ZrO3. XRD and XPS results further suggested that Li2O diffusion from the fiber body to surface occurred for Li2ZrO3 nanofibers when heat-treated above 900 °C, and the tetragonal Li2ZrO3 with high surface area could be obtained at 800 °C. Bamboo structure appeared both for the dense and porous nanofibers heat-treated at 1000 °C. The high surface area and high thermal stability of tetragonal phase of Li2ZrO3 make it a promising candidate in CO2 absorption, electrolyte and coating material.

Co3O4-based honeycombs as compact redox reactors/heat exchangers for thermochemical storage in the next generation CSP plants

NASA Astrophysics Data System (ADS)

Pagkoura, Chrysoula; Karagiannakis, George; Halevas, Eleftherios; Konstandopoulos, Athanasios G.

2016-05-01

Over the last years, several research groups have focused on developing efficient thermochemical heat storage (THS) systems, in-principle capable of being coupled with next generation high temperature Concentrated Solar Power plants. Among systems studied, the Co3O4/CoO redox system is a promising candidate. Currently, research efforts extend beyond basic level identification of promising materials to more application-oriented approaches aiming at validation of THS performance at pilot scale reactors. The present work focuses on the investigation of cobalt oxide based honeycomb structures as candidate reactors/heat exchangers to be employed for such purposes. In the evaluation conducted and presented here, cobalt oxide-based structures with different composition and geometrical characteristics were subjected to redox cycles in the temperature window between 800 and 1000°C under air flow. Basic aspects related to redox performance of each system are briefly discussed but the main focus lies on the evaluation of the segments structural stability after multi-cyclic operation. The latter is based on macroscopic visual observation and also supplemented by pre- (i.e. fresh samples) and post-characterization (i.e. after long term exposure) of extruded honeycombs via combined mercury porosimetry and SEM analysis.

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

Stability of sputter deposited cuprous oxide (Cu2O) subjected to ageing conditions for photovoltaic applications

NASA Astrophysics Data System (ADS)

Camacho-Espinosa, E.; Rimmaudo, I.; Riech, I.; Mis-Fernández, R.; Peña, J. L.

2018-02-01

Among various metal oxide p-type semiconductors, cuprous oxide (Cu2O) stands out as a nontoxic and abundant material, which also makes it a suitable candidate as a low-cost absorber for photovoltaic applications. However, the chemical stability of the absorber layer is critical for the solar cell lifetime, in particular, for Cu-based materials, concerning to its oxidation state changes. In this paper, we addressed the Cu2O stability depositing films of 170 nm by reactive radio frequency magnetron sputtering and subsequently ageing them in conditions similar to the typical accelerated life test for the solar module, in a period of time from one to five weeks. The stability of the optical, electrical, and structural properties of the Cu2O thin films was investigated using UV-VIS-near infrared transmittance, 4-probes electrical resistance characterization, high precision profilometry, X-ray photoelectron spectroscopy, and grazing incidence X-ray diffraction. Finally, we demonstrated that the aging tests affected only the surface of the films, while the bulk remained unaltered, making Cu2O a promising candidate for production of stable devices, including solar cells.

sp3-hybridized framework structure of group-14 elements discovered by genetic algorithm

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

Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang

2014-05-01

Group-14 elements, including C, Si, Ge, and Sn, can form various stable and metastable structures. Finding new metastable structures of group-14 elements with desirable physical properties for new technological applications has attracted a lot of interest. Using a genetic algorithm, we discovered a new low-energy metastable distorted sp3-hybridized framework structure of the group-14 elements. It has P42/mnm symmetry with 12 atoms per unit cell. The void volume of this structure is as large as 139.7Å3 for Si P42/mnm, and it can be used for gas or metal-atom encapsulation. Band-structure calculations show that P42/mnm structures of Si and Ge are semiconductingmore » with energy band gaps close to the optimal values for optoelectronic or photovoltaic applications. With metal-atom encapsulation, the P42/mnm structure would also be a candidate for rattling-mediated superconducting or used as thermoelectric materials.« less

Materials development and evaluation for the ceramic helical expander

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

Landingham, R.L.; Taylor, R.W.

The supporting role of the materials program for the ceramic helical expander program is described. The materials problems for this rotory expander in an extremely severe environment-a direct coal-fired Brayton topping cycle is defined. Readily available materials and methods for possible solution to these material problems as well as initiating some longer-range studies to improve reliability were evaluated. A preliminary screening of materials in hot coal-fired environments to select candidate materials and coating was made. More detailed evaluations of these candidate materials-reaction-bonded silicon nitride (RBSN) and Si--Al--O--N (Sialon) system- and coatings-chemical-vapor-deposited silicon nitride (CVD-Si/sub 3/N/sub 4/) and CVD-Sialon need tomore » be performed. Termination of the helical expander program abruptly stopped the materials program during this evaluation.« less

Materials development and evaluation for the ceramic helical expander

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

Landingham, R.L.; Taylor, R.W.

The supporting role of the materials program for the ceramic helical expander program is described. The materials problems for this rotory expander in an extremely severe environment - a direct coal-fired Brayton topping cycle is defined. Readily available materials and methods are evaluated for possible solution to these material problems as well as initiating some longer-range studies to improve reliability. A preliminary screening of materials in hot coal-fired environments to select candidate materials and coating, was made, but there is a need to perform more detailed evaluations of these candidate materials-reaction-bonded silicon nitride (RBSN) and Si--Al--O--N (Sialon) system- and coatings-chemical-vapor-depositedmore » silicon nitride (CVD-Si/sub 3/N/sub 4/) and CVD-Sialon. Termination of the helical expander program abruptly stopped the materials program during this evaluation.« less

Characteristics of HY-180 and Ti-100 for Welded High Strength Structures

DTIC Science & Technology

1974-12-01

materials in welded structures are reported. The 10Ni-8Co-2Cr-lMo steel arid the Ti- 6Al -2Cb-lTa-0. 8Mo titanium alloy were selected as candidate...only li- 6Al -iCb-na-0.»Mo (Ti-6-2-1-1) and’Ii- 6Al - 4V are competitive with 10Ni-8Co-2Cr-lMo steel on a strength-weight basis, while possessing ade...Ti- 6Al -2Cb-lTa-0. 8Mo has better toughness in plate form, based upon dynamic tear properties. There- fore the Ti- 6Al -2Cb-lTa-0.8Mo titanium alloy

Electronic structure and Fermi surface topology of WTe2 in a magnetic field

NASA Astrophysics Data System (ADS)

Krishna, Jyoti; Maitra, T.

2018-05-01

Two dimensional (2D) layered transition metal dichalcogenides (TMDs) have recently become the foremost candidate for future electronic device applications overcoming graphene as latter has no bandgap which limits some of the applications. WTe2 is one such TMD whose magnetoresistance (MR) continue to increase with magnetic field without any indication of saturation. Inspired by this, we have theoretically investigated the material using first principle density functional theory (DFT) approach to study the effect of magnetic field on electronic structure of the compound. The magnetic field is seen to enhance the hole pockets' size along Γ-Z direction, which brings in significant change in the Fermi surface topology.

Tubular nanostructured materials for bioapplications

NASA Astrophysics Data System (ADS)

Xie, Jining; Chen, Linfeng; Srivatsan, Malathi; Varadan, Vijay K.

2009-03-01

Tubular nanomaterials possess hollow structures as well as high aspect ratios. In addition to their unique physical and chemical properties induced by their nanoscale dimensions, their inner voids and outer surfaces make them ideal candidates for a number of biomedical applications. In this work, three types of tubular nanomaterials including carbon nanotubes, hematite nanotubes, and maghemite nanotubes, were synthesized by different chemical techniques. Their structural and crystalline properties were characterized. For potential bioapplications of tubular nanomaterials, experimental investigations were carried out to demonstrate the feasibility of using carbon nanotubes, hematite nanotubes, and maghemite nanotubes in glucose sensing, neuronal growth, and drug delivery, respectively. Preliminary results show the promise of tubular nanomaterials in future biomedical applications.

Molecular hydrogen sorption capacity of D-shwarzites

NASA Astrophysics Data System (ADS)

Krasnov, Pavel O.; Shkaberina, Guzel S.; Kuzubov, Alexander A.; Kovaleva, Evgenia A.

2017-09-01

Schwarzites are one of the most well-known forms of nanoporous carbon. High porosity and large surface area of these materials make them promising candidates for molecular hydrogen storage. Quantum-chemical modeling showed that hydrogen weight fraction inside D-schwarzite structure depends on the number of atoms per unit cell that determines its size and morphology. D480 schwarzite has demonstrated the largest value of hydrogen sorption capacity amongst the structures considered in this work. It reaches 7.65% at the technologically acceptable values of temperature and pressure (300 K and 10 MPa). Though being lower than that required by DOE (9%), this amount can be increased by using schwarzites with larger unit cell corresponding to the larger surface area.

Dynamical spin structure factors of α-RuCl3

NASA Astrophysics Data System (ADS)

Suzuki, Takafumi; Suga, Sei-ichiro

2018-03-01

Honeycomb-lattice magnet α-RuCl3 is considered to be a potential candidate of realizing Kitaev spin liquid, although this material undergoes a phase transition to the zigzag magnetically ordered state at T N ∼ 7 K. Quite recently, inelastic neutron-scattering experiments using single crystal α-RuCl3 have unveiled characteristic dynamical properties. We calculate dynamical spin structure factors of three ab-initio models for α-RuCl3 with an exact numerical diagonalization method. We also calculate temperature dependences of the specific heat by employing thermal pure quantum states. We compare our numerical results with the experiments and discuss characteristics obtained by using three ab-initio models.

Design Concept for a Reusable/Propellantless MXER Tether Space Transportation System

NASA Technical Reports Server (NTRS)

McCandless, B., II; Kustas, F. m.; Marshall, L. S.; Lytle, W. B.; Hansen, N. P.

2005-01-01

The Momentum Exchange/Electrodynamic Reboost (MXER) tether facility is a transformational concept that significantly reduces the fuel requirements (and associated costs) in transferring payloads above low earth orbit (LEO). Facility reboost is accomplished without propellant by driving current against a voltage created by a conducting tether's interaction with the Earth's magnetic field (electrodynamic reboost). This system can be used for transferring a variety of payloads (scientific, cargo, and human space vehicles) to multiple destinations including geosynchronous transfer orbit, the Moon or Mars. MXER technology advancement requires development in two key areas: survivable, high tensile strength non-conducting tethers and reliable, lightweight payload catch/release mechanisms. Fundamental requirements associated with the MXER non-conducting strength tether and catch mechanism designs will be presented. Key requirements for the tether design include high specific-strength (tensile strength/material density), material survivability to the space environment (atomic oxygen and ultraviolet radiation), and structural survivability to micrometeoroid/orbital debris (MM/OD) impacts. The driving mechanism key,gequirements include low mass-to-capture-volume ratio, positional and velocity error tolerance, and operational reliability. Preliminary tether and catch mechanism design criteria are presented, which have been used as guidelines to "screen" and down-select initial concepts. Candidate tether materials and protective coatings are summarized along with their performance in simulated space environments (e.g., oxygen plasma, thermal cycling). A candidate catch mechanism design concept is presented along with examples of demonstration hardware.

Accelerated Discovery of High-Refractive-Index Polymers Using First-Principles Modeling, Virtual High-Throughput Screening, and Data Mining

NASA Astrophysics Data System (ADS)

Afzal, Mohammad Atif Faiz; Cheng, Chong; Hachmann, Johannes

Organic materials with refractive index (RI) values higher than 1.7 have attracted considerable interest in recent years due to the tremendous potential for their application in optical, optometric, and optoelectronic devices, and thus for shaping technological innovation in numerous related areas. Our work is concerned with creating predictive models for the optical properties of organic polymers, which will guide our experimentalist partners and allow them to target the most promising candidates. The RI model is developed based on a synergistic combination of first-principles electronic structure theory and machine learning techniques. The RI values predicted for common polymers using this model are in very good agreement with the experimental values. We also benchmark different DFT approximations along with various basis sets for their predictive performance in this model. We demonstrate that this combination of first-principles and data modeling is both successful and highly economical in determining the RI values of a wide range of organic polymers. To accelerate the development process, we cast this modeling approach into the high-throughput screening, materials informatics, and rational design framework that is developed in the group. This framework is a powerful tool and has shown to be highly promising for rapidly identifying polymer candidates with exceptional RI values as well as discovering design rules for advanced materials.

Stimuli-responsive polyaniline coated silica microspheres and their electrorheology

NASA Astrophysics Data System (ADS)

Park, Dae Eun; Choi, Hyoung Jin; Vu, Cuong Manh

2016-05-01

Silica/polyaniline (PANI) core-shell structured microspheres were synthesized by coating the surface of silica micro-beads with PANI and applied as a candidate inorganic/polymer composite electrorheological (ER) material. The silica micro-beads were initially modified using N-[(3-trimethoxysilyl)-propyl] aniline to activate an aniline functional group on the silica surface for a better PANI coating. The morphology of the PANI coating on the silica surface was examined by scanning electron microscopy and the silica/PANI core-shell structure was confirmed by transmission electron microscopy. The chemical structure of the particles was confirmed by Fourier transform infrared spectroscopy. Rotational rheometry was performed to confirm the difference in the ER properties between pure silica and silica/PANI microsphere-based ER fluids when dispersed in silicone oil.

Tantalum protective coatings for fusion reactor applications

NASA Astrophysics Data System (ADS)

Brossa, Francesco; Piatti, Giovanni; Bardy, Michel

Tantalum has a very low sputtering yield, high melting point, low vapour pressure and good mechanical properties at low and high temperatures, so it is a very interesting candidate for the first wall and blanket structural components. Tantalum coatings overcome the problems of fabrication and joining bulk Ta, thus reducing also dead weight and cost. Ta coatings were produced by chemical vapour deposition and plasma spraying on four conventional structural materials: Al, Cu, AISI 316 L and Inconel 600. The conditions which improve adherence have been studied. The composition of the films was determined by chemical means and by X-ray analysis. Metallographie examination was employed to define the morphological structure of the deposits. The adherence of the coatings was determined by subjecting the samples to bend tests and to thermal shocks.

Mechanical degradation of porous titanium with entangled structure filled with biodegradable magnesium in Hanks' solution.

PubMed

Li, Qiuyan; Jiang, Guofeng; Wang, Cunlong; Dong, Jie; He, Guo

2015-12-01

The degradation behavior of the porous titanium with entangled structure filled with biodegradable magnesium (p-Ti/Mg) in Hanks' solution was investigated. It was found that the p-Ti/Mg composite had higher strength than pure magnesium and porous titanium with entangled structure (p-Ti). Although the magnesium in p-Ti/Mg was completely dissolved in Hanks' solution after immersion for 104 h, the rest of the sample still maintained strength of about 86 MPa. Moreover, the produced porousness (due to magnesium-degradation) could provide channels for the ingrowth and transportation of bone cells. However, the high corrosion rate of p-Ti/Mg is still a problem when used as a candidate biomedical material, which needs further improvement. Copyright © 2015 Elsevier B.V. All rights reserved.

Hypersonic airframe structures: Technology needs and flight test requirements

NASA Technical Reports Server (NTRS)

Stone, J. E.; Koch, L. C.

1979-01-01

Hypersonic vehicles, that may be produced by the year 2000, were identified. Candidate thermal/structural concepts that merit consideration for these vehicles were described. The current status of analytical methods, materials, manufacturing techniques, and conceptual developments pertaining to these concepts were reviewed. Guidelines establishing meaningful technology goals were defined and twenty-eight specific technology needs were identified. The extent to which these technology needs can be satisfied, using existing capabilities and facilities without the benefit of a hypersonic research aircraft, was assessed. The role that a research aircraft can fill in advancing this technology was discussed and a flight test program was outlined. Research aircraft thermal/structural design philosophy was also discussed. Programs, integrating technology advancements with the projected vehicle needs, were presented. Program options were provided to reflect various scheduling and cost possibilities.

METCAN simulation of candidate metal matrix composites for high temperature applications

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun

1990-01-01

The METCAN (Metal Matrix Composite Analyzer) computer code is used to simulate the nonlinear behavior of select metal matrix composites in order to assess their potential for high temperature structural applications. Material properties for seven composites are generated at a fiber volume ratio of 0.33 for two bonding conditions (a perfect bond and a weak interphase case) at various temperatures. A comparison of the two bonding conditions studied shows a general reduction in value of all properties (except CTE) for the weak interphase case from the perfect bond case. However, in the weak interphase case, the residual stresses that develop are considerably less than those that form in the perfect bond case. Results of the computational simulation indicate that among the metal matrix composites examined, SiC/NiAl is the best candidate for high temperature applications at the given fiber volume ratio.

Characterization of Space Environmental Effects on Candidate Solar Sail Material

NASA Technical Reports Server (NTRS)

Edwards, David; Hubbs, Whitney; Stanaland, Tesia; Munafo, Paul M. (Technical Monitor)

2002-01-01

The National Aeronautics and Space Administration's (NASA) Marshall Space Flight Center (MSFC) is concentrating research into the utilization of photonic materials for spacecraft propulsion. Spacecraft propulsion, using photonic materials, will be achieved using a solar sail. A solar sail operates on the principle that photons, originating from the sun, impart pressure to the sail and therefore provide a source for spacecraft propulsion. The pressure imparted to a solar sail can be increased, up to a factor of two if the sunfacing surface is perfectly reflective. Therefore, these solar sails are generally composed of a highly reflective metallic sun-facing layer, a thin polymeric substrate and occasionally a highly emissive back surface. The Space Environmental Effects Team, at MSFC, is actively characterizing candidate solar sail material to evaluate the thermo-optical and mechanical properties after exposure to radiation environments simulating orbital environments. This paper describes the results of three candidate materials after exposure to a simulated Geosynchronous Transfer Orbit (GTO). This is the first known characterization of solar sail material exposed to space simulated radiation environments. The technique of radiation dose versus material depth profiling was used to determine the orbital equivalent exposure doses. The solar sail exposure procedures and results of the material characterization will be discussed.

Three-dimensional carbon architectures for electrochemical capacitors.

PubMed

Song, Yu; Liu, Tianyu; Qian, Fang; Zhu, Cheng; Yao, Bin; Duoss, Eric; Spadaccini, Christopher; Worsley, Marcus; Li, Yat

2018-01-01

Three-dimensional (3D) carbon-based materials are emerging as promising electrode candidates for energy storage devices. In comparison to the 1D and 2D structures, 3D morphology offers new opportunities in rational design and synthesis of novel architectures tailor-made for promoting electrochemical performance. The capability of building hierarchical porous structures with 3D configuration can significantly advance the performance of energy storage devices by simultaneously enhancing the ion-accessible surface area and ion diffusion. This feature article presents an overview of recent progress in design, synthesis and implementation of 3D carbon-based materials as electrodes for electrochemical capacitors. Synthesis methodologies of four types of 3D carbon-based electrodes: 3D exfoliated carbon structures, 3D graphene scaffolds, 3D hierarchical porous carbon foams, as well as 3D architectures with periodic pores derived from direct ink writing, are thoroughly discussed and highlighted with selected experimental works. Finally, key opportunities and challenges in which different 3D carbons can significantly impact the energy storage and conversion communities will be provided. Copyright © 2017 Elsevier Inc. All rights reserved.

Manifestations of Kitaev physics in thermodynamic properties of hexagonal iridates and α-RuCl3

NASA Astrophysics Data System (ADS)

Tsirlin, Alexander

Kitaev model is hard to achieve in real materials. Best candidates available so far are hexagonal iridates M2IrO3 (M = Li and Na) and the recently discovered α-RuCl3 featuring hexagonal layers coupled by weak van der Waals bonding. I will review recent progress in crystal growth of these materials and compare their thermodynamic properties. Both hexagonal iridates and α-RuCl3 feature highly anisotropic Curie-Weiss temperatures that not only differ in magnitude but also change sign depending on the direction of the applied magnetic field. Néel temperatures are largely suppressed compared to the energy scale of the Curie-Weiss temperatures. These experimental observations will be linked to features of the electronic structure and to structural peculiarities associated with deviations from the ideal hexagonal symmetry. I will also discuss how the different nature of ligand atoms affects electronic structure and magnetic superexchange. This work has been done in collaboration with M. Majumder, M. Schmidt, M. Baenitz, F. Freund, and P. Gegenwart.

A comparison of implantation-driven permeation characteristics of fusion reactor structural materials

NASA Astrophysics Data System (ADS)

Longhurst, G. R.; Anderl, R. A.; Struttmann, D. A.

1986-11-01

Implantation-driven permeation experiments have been conducted on samples of the ferritic steel HT-9, the austenitic Primary Candidate Alloy (PCA) and the vanadium alloy V-15Cr-5Ti using D 3+ ions under conditions that simulate charge-exchange neutral loading on a fusion reactor first wall. The steels all exhibited an initially intense permeation "spike" followed by an exponential decrease to low steady-state values. That spike was not evident in the V-15Cr-5Ti experiments. Steady-state permeation was highest in the vanadium alloy and lowest in the austenitic steel. Though permeation rates in the HT-9 were lower than those in V-15Cr-5Ti, permeation transients were much faster in HT-9 than in other materials tested. Sputtering of the steel surface resulted in enhanced reemission, whereas in the vanadium tests, recombination and diffusivity both appeared to diminish as the deuterium concentration rose. We conclude that for conditions comparable to those of these experiments, tritium retention and permeation loss in first wall structures made of steels will be less than in structures made of V-15Cr-5Ti.

Selenium and Selenium–Sulfur Chemistry for Rechargeable Lithium Batteries: Interplay of Cathode Structures, Electrolytes, and Interfaces

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

Xu, Gui-Liang; Liu, Jianzhao; Amine, Rachid

2017-02-09

In the search for a transformative new energy storage system, the rechargeable Li/sulfur battery is considered as one of the promising candidates due to its much higher energy density and lower cost than state-of-the-art lithium-ion batteries. However, the insulating nature of sulfur and the dissolution of intermediary polysulfides into the electrolyte significantly hinder its practical application. Very recently, selenium and selenium-sulfur systems have received considerable attention as cathode materials for rechargeable batteries owing to the high electronic conductivity (20 orders of magnitude higher than sulfur) and high volumetric capacity (3254 mAh/cm3 ) of selenium. In this perspective, we present anmore » overview of the implications of employing selenium and selenium-sulfur systems with different structures and compositions as electroactive materials for rechargeable lithium batteries. We also show how the cathode structures, electrolytes, and electrode-electrolyte interfaces affect the electrochemistry of Se and Se-S based cathodes. Furthermore, suggestions are provided on paths for future development of these cathodes.« less

Theoretical study on the optical response behavior to hydrogen chloride gas of a series of Schiff-base-based star-shaped structures.

PubMed

Wang, Fei; Qi, Tianhong; Su, Zhongmin; Xie, Yuzhong

2018-02-17

Schiff-base compounds have many applications in the field of optoelectronic materials and chemical sensing because of their appealing coordination ability, and simple and easily accessible use in structural modification. Herein, five kinds of star-shaped Schiff-base compounds were designed and their optical response behavior to hydrogen chloride (HCl) gas was studied using dependent/time-dependent density functional theory (DFT/TDDFT). Moreover, the relationship between structures and properties was investigated upon changing the benzene group into N atom or triazine group at the core-position and introducing a methoxyl (-OCH 3 ) or nitro (-NO 2 ) group into the star-shaped Schiff-bases at the tail of the branches. The results show that all five Schiff-bases could be candidates for HCl gas sensing materials. Furthermore, introducing an electron-donating group at either the core or the tail forms a charge transfer channel with the electron deficient H-bonded imino group, which is convenient for charge transfer and subsequently promotes a red-shift in absorption spectra and fluorescence quenching.

Insights into the Effects of Zinc Doping on Structural Phase Transition of P2-Type Sodium Nickel Manganese Oxide Cathodes for High-Energy Sodium Ion Batteries.

PubMed

Wu, Xuehang; Xu, Gui-Liang; Zhong, Guiming; Gong, Zhengliang; McDonald, Matthew J; Zheng, Shiyao; Fu, Riqiang; Chen, Zonghai; Amine, Khalil; Yang, Yong

2016-08-31

P2-type sodium nickel manganese oxide-based cathode materials with higher energy densities are prime candidates for applications in rechargeable sodium ion batteries. A systematic study combining in situ high energy X-ray diffraction (HEXRD), ex situ X-ray absorption fine spectroscopy (XAFS), transmission electron microscopy (TEM), and solid-state nuclear magnetic resonance (SS-NMR) techniques was carried out to gain a deep insight into the structural evolution of P2-Na0.66Ni0.33-xZnxMn0.67O2 (x = 0, 0.07) during cycling. In situ HEXRD and ex situ TEM measurements indicate that an irreversible phase transition occurs upon sodium insertion-extraction of Na0.66Ni0.33Mn0.67O2. Zinc doping of this system results in a high structural reversibility. XAFS measurements indicate that both materials are almost completely dependent on the Ni(4+)/Ni(3+)/Ni(2+) redox couple to provide charge/discharge capacity. SS-NMR measurements indicate that both reversible and irreversible migration of transition metal ions into the sodium layer occurs in the material at the fully charged state. The irreversible migration of transition metal ions triggers a structural distortion, leading to the observed capacity and voltage fading. Our results allow a new understanding of the importance of improving the stability of transition metal layers.

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries.

PubMed

Hou, Junbo; Shao, Yuyan; Ellis, Michael W; Moore, Robert B; Yi, Baolian

2011-09-14

Graphene has attracted extensive research interest due to its strictly 2-dimensional (2D) structure, which results in its unique electronic, thermal, mechanical, and chemical properties and potential technical applications. These remarkable characteristics of graphene, along with the inherent benefits of a carbon material, make it a promising candidate for application in electrochemical energy devices. This article reviews the methods of graphene preparation, introduces the unique electrochemical behavior of graphene, and summarizes the recent research and development on graphene-based fuel cells, supercapacitors and lithium ion batteries. In addition, promising areas are identified for the future development of graphene-based materials in electrochemical energy conversion and storage systems. This journal is © the Owner Societies 2011

Copper drift in high-dielectric-constant tantalum oxide thin films under bias temperature stress

NASA Astrophysics Data System (ADS)

Jain, Pushkar; Juneja, Jasbir S.; Mallikarjunan, A.; Rymaszewski, E. J.; Lu, T.-M.

2006-04-01

The use of high-dielectric-constant (high-κ) materials for embedded capacitors is becoming increasingly important. Tantalum oxide (Ta2O5) is a prominent candidate as a high-κ material for embedded capacitor use. Metal drift in Ta2O5 (κ˜25) was investigated by bias temperature stress and triangular voltage sweep testing techniques on metal/Ta2O5/SiO2/Si structures. At a temperature of 300°C and 0.75MV/cm bias conditions, Al, Ta, and Ti do not diffuse in Ta2O5, but Cu clearly showed a drift. The Cu drift is attributed to the lack of a stable Cu oxide which can limit Cu ion generation and penetration.

Design, Synthesis and DFT/DNP Modeling Study of New 2-Amino-5-arylazothiazole Derivatives as Potential Antibacterial Agents.

PubMed

Abu-Melha, Sraa

2018-02-15

A new series of 2-amino-5-arylazothiazole derivatives has been designed and synthesized in 61-78% yields and screened as potential antibacterial drug candidates against the Gram negative bacterium Escherichia coli. The geometry of the title compounds were being studied using the Material Studio package and semi-core pseudopods calculations (dspp) were performed with the double numerica basis sets plus polarization functional (DNP) to predict the properties of materials using the hybrid FT/B3LYP method. Modeling calculations, especially the (E H -E L ) difference and the energetic parameters revealed that some of the title compounds may be promising tools for further research work and the activity is structure dependent.

Recent progress in high-mobility thin-film transistors based on multilayer 2D materials

NASA Astrophysics Data System (ADS)

Hong, Young Ki; Liu, Na; Yin, Demin; Hong, Seongin; Kim, Dong Hak; Kim, Sunkook; Choi, Woong; Yoon, Youngki

2017-04-01

Two-dimensional (2D) layered semiconductors are emerging as promising candidates for next-generation thin-film electronics because of their high mobility, relatively large bandgap, low-power switching, and the availability of large-area growth methods. Thin-film transistors (TFTs) based on multilayer transition metal dichalcogenides or black phosphorus offer unique opportunities for next-generation electronic and optoelectronic devices. Here, we review recent progress in high-mobility transistors based on multilayer 2D semiconductors. We describe the theoretical background on characterizing methods of TFT performance and material properties, followed by their applications in flexible, transparent, and optoelectronic devices. Finally, we highlight some of the methods used in metal-semiconductor contacts, hybrid structures, heterostructures, and chemical doping to improve device performance.

Technical Issues for the Fabrication of a CN-HCCB-TBM Based on RAFM Steel CLF-1

NASA Astrophysics Data System (ADS)

Wang, Pinghuai; Chen, Jiming; Fu, Haiying; Liu, Shi; Li, Xiongwei; Xu, Zengyu

2013-02-01

Reduced activation ferritic/martensitic steel (RAFM) is recognized as the primary candidate structural material for ITER's test blanket module (TBM). To provide a material and property database for the design and fabrication of the Chinese helium cooled ceramic breeding TBM (CN HCCB TBM), a type of RAFM steel named CLF-1 was developed and characterized at the Southwestern Institute of Physics (SWIP), China. In this paper, the R&D status of CLF-1 steel and the technical issues in using CLF-1 steel to manufacture CN HCCB TBM were reviewed, including the steel manufacture and different welding technologies. Several kinds of property data have been obtained for its application to the design of the ITER TBM.

Investigation of Physics Teacher Candidates' Cognitive Structures about "Electric Field": A Free Word Association Test Study

ERIC Educational Resources Information Center

Türkkan, Ercan

2017-01-01

The aim of this study is to investigate the cognitive structures of physics teacher candidates about "electric field." Phenomenographic research method, one of the qualitative research patterns, was used in the study. The data of the study was collected from 91 physics teacher candidates who had taken General Physics II course at…

Investigation of Mathematics Teacher Candidates' Conceptual Structures about "Measurement" through Word Association Test: The Example of Turkey

ERIC Educational Resources Information Center

Erdogan, Ahmet

2017-01-01

The purpose of this research is to determine mathematics teacher candidates' conceptual structures about the concept of "measurement" that is the one of the important learning fields of mathematics. Qualitative research method was used in this study. Participants of this study were 58 mathematics teacher candidates studying in one of the…

Stirling Convertor Fasteners Reliability Quantification

NASA Technical Reports Server (NTRS)

Shah, Ashwin R.; Korovaichuk, Igor; Kovacevich, Tiodor; Schreiber, Jeffrey G.

2006-01-01

Onboard Radioisotope Power Systems (RPS) being developed for NASA s deep-space science and exploration missions require reliable operation for up to 14 years and beyond. Stirling power conversion is a candidate for use in an RPS because it offers a multifold increase in the conversion efficiency of heat to electric power and reduced inventory of radioactive material. Structural fasteners are responsible to maintain structural integrity of the Stirling power convertor, which is critical to ensure reliable performance during the entire mission. Design of fasteners involve variables related to the fabrication, manufacturing, behavior of fasteners and joining parts material, structural geometry of the joining components, size and spacing of fasteners, mission loads, boundary conditions, etc. These variables have inherent uncertainties, which need to be accounted for in the reliability assessment. This paper describes these uncertainties along with a methodology to quantify the reliability, and provides results of the analysis in terms of quantified reliability and sensitivity of Stirling power conversion reliability to the design variables. Quantification of the reliability includes both structural and functional aspects of the joining components. Based on the results, the paper also describes guidelines to improve the reliability and verification testing.

Current-limiting challenges for all-spin logic devices

PubMed Central

Su, Li; Zhang, Youguang; Klein, Jacques-Olivier; Zhang, Yue; Bournel, Arnaud; Fert, Albert; Zhao, Weisheng

2015-01-01

All-spin logic device (ASLD) has attracted increasing interests as one of the most promising post-CMOS device candidates, thanks to its low power, non-volatility and logic-in-memory structure. Here we investigate the key current-limiting factors and develop a physics-based model of ASLD through nano-magnet switching, the spin transport properties and the breakdown characteristic of channel. First, ASLD with perpendicular magnetic anisotropy (PMA) nano-magnet is proposed to reduce the critical current (Ic0). Most important, the spin transport efficiency can be enhanced by analyzing the device structure, dimension, contact resistance as well as material parameters. Furthermore, breakdown current density (JBR) of spin channel is studied for the upper current limitation. As a result, we can deduce current-limiting conditions and estimate energy dissipation. Based on the model, we demonstrate ASLD with different structures and channel materials (graphene and copper). Asymmetric structure is found to be the optimal option for current limitations. Copper channel outperforms graphene in term of energy but seriously suffers from breakdown current limit. By exploring the current limit and performance tradeoffs, the optimization of ASLD is also discussed. This benchmarking model of ASLD opens up new prospects for design and implementation of future spintronics applications. PMID:26449410

Mineralogy of Cretaceous/Tertiary boundary clays in the Chicxulub structure in northern Yucatan

NASA Technical Reports Server (NTRS)

Ming, D. W.; Sharpton, Virgil L.; Schuraytz, B. C.

1991-01-01

The Cretaceous/Tertiary (K/T) boundary clay layer is thought to be derived from ejecta material from meteorite impact, based on the anomalous concentrations of noble metals in the layer. Because of recent findings of a half-meter thick ejecta deposit at the K/T boundary in Haiti, efforts have focused on locating a large impact feature in the Caribbean and the Gulf of Mexico. One of the leading candidates for the site of a large impact is the Chicxulub structure located on the northern Yucatan Peninsula in Mexico. The Chicxulub structure is a subsurface zone of upper Cretaceous igneous rocks, carbonates, and breccias. The structure has been interpreted to be a 200 km diameter; however, there is some question to the size of the structure or to the fact that it even is an impact feature. Little is known about the mineralogy of this structure; the objective of this study was to determine the clay mineralogy of core samples from within the Chicxulub structure.

The challenge of developing structural materials for fusion power systems

NASA Astrophysics Data System (ADS)

Bloom, Everett E.

1998-10-01

Nuclear fusion can be one of the most attractive sources of energy from the viewpoint of safety and minimal environmental impact. Central in the goal of designing a safe, environmentally benign, and economically competitive fusion power system is the requirement for high performance, low activation materials. The general performance requirements for such materials have been defined and it is clear that materials developed for other applications (e.g. aerospace, nuclear fission, fossil energy systems) will not fully meet the needs of fusion. Advanced materials, with composition and microstructure tailored to yield properties that will satisfy the specific requirements of fusion must be developed. The international fusion programs have made significant progress towards this goal. Compositional requirements for low activation lead to a focus of development efforts on silicon carbide composites, vanadium alloys, and advanced martensitic steels as candidate structural material systems. Control of impurities will be critically important in actually achieving low activation but this appears possible. Neutron irradiation produces significant changes in the mechanical and physical properties of each of these material systems raising feasibility questions and design limitations. A focus of the research and development effort is to understand these effects, and through the development of specific compositions and microstructures, produce materials with improved and adequate performance. Other areas of research that are synergistic with the development of radiation resistant materials include fabrication, joining technology, chemical compatibility with coolants and tritium breeders and specific questions relating to the unique characteristics of a given material (e.g. coatings to reduce gas permeation in SiC composites) or design concept (e.g. electrical insulator coatings for liquid metal concepts).

Nanostructured LiMPO4 (M = Fe, Mn, Co, Ni) - carbon composites as cathode materials for Li-ion battery

NASA Astrophysics Data System (ADS)

Dimesso, L.; Spanheimer, C.; Nguyen, T. T. D.; Hausbrand, R.; Jaegermann, W.

2012-10-01

Nanostructured materials are considered to be strong candidates for fundamental advances in efficient storage and/or conversion. In nanostructured materials transport kinetics and surface processes play determining roles. This work describes recent developments in the synthesis and characterization of composites which consist of lithium metal phosphates (LiMPO4, M = Fe, Mn, Co, Ni) coated on nanostructured carbon supports (unordered nanofibers, foams). The composites have been prepared by coating the carbon structures in aqueous (or polyols) solutions containing lithium, metal ions and phosphates. After drying out, the composites have been thermally treated at different temperatures (between 600-780°C) for 5-12 hours under nitrogen. The formation of the olivine structured phase was confirmed by the X-ray diffraction analysis on powders prepared under very similar conditions. The surface investigation revealed the formation of an homogeneous coating of the olivine phase on the carbon structures. The electrochemical performance on the composites showed a dramatic improvement of the discharge specific capacity (measured at a discharge rate of C/25 and room temperature) compared to the prepared powders. The delivered values were 105 mAhg-1 for M = Fe, 100 mAhg-1 for M = Co, 70 mAhg-1 for M = Mn and 30 mAhg-1 for M = Ni respectively.

4D printing of a self-morphing polymer driven by a swellable guest medium.

PubMed

Su, Jheng-Wun; Tao, Xiang; Deng, Heng; Zhang, Cheng; Jiang, Shan; Lin, Yuyi; Lin, Jian

2018-01-31

There is a significant need of advanced materials that can be fabricated into functional devices with defined three-dimensional (3D) structures for application in tissue engineering, flexible electronics, and soft robotics. This need motivates an emerging four-dimensional (4D) printing technology, by which printed 3D structures consisting of active materials can transform their configurations over time in response to stimuli. Despite the ubiquity of active materials in performing self-morphing processes, their potential for 4D printing has not been fully explored to date. In this study, we demonstrate 4D printing of a commercial polymer, SU-8, which has not been reported to date in this field. The working principle is based on a self-morphing process of the printed SU-8 structures through spatial control of the swelling medium inside the polymer matrix by a modified process. To understand the self-morphing behavior, fundamental studies on the effect of the geometries including contours and filling patterns were carried out. A soft electronic device as an actuator was demonstrated to realize an application of this programmable polymer using the 3D printing technology. These studies provide a new paradigm for application of SU-8 in 4D printing, paving a new route to the exploration of more potential candidates by this demonstrated strategy.

Lithiation Mechanism of Tunnel-Structured MnO 2 Electrode Investigated by In Situ Transmission Electron Microscopy

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

Lee, Seung-Yong; Wu, Lijun; Poyraz, Altug S.

Manganese oxide (α-MnO 2) has been considered as a promising energy material, including as a lithium-based battery electrode candidate, due to its environmental friendliness. Thanks to its unique 1D [2 × 2] tunnel structure, α-MnO 2 can be applied to a cathode by insertion reaction and to an anode by conversion reaction in corresponding voltage ranges, in a lithium-based battery. Numerous reports have attributed its remarkable performance to its unique tunnel structure; however, the precise electrochemical reaction mechanism remains unknown. In this study, finding of the lithiation mechanism of α-MnO 2 nanowire by in situ transmission electron microscopy (TEM) ismore » reported. By elaborately modifying the existing in situ TEM experimental technique, rapid lithium-ion diffusion through the tunnels is verified. Furthermore, by tracing the full lithiation procedure, the evolution of the MnO intermediate phase and the development of the MnO and Li 2O phases with preferred orientations is demonstrated, which explains how the conversion reaction occurs in α-MnO 2 material. This study provides a comprehensive understanding of the electrochemical lithiation process and mechanism of α-MnO 2 material, in addition to the introduction of an improved in situ TEM biasing technique.« less

Lithiation Mechanism of Tunnel-Structured MnO 2 Electrode Investigated by In Situ Transmission Electron Microscopy

DOE PAGES

Lee, Seung-Yong; Wu, Lijun; Poyraz, Altug S.; ...

2017-10-06

Manganese oxide (α-MnO 2) has been considered as a promising energy material, including as a lithium-based battery electrode candidate, due to its environmental friendliness. Thanks to its unique 1D [2 × 2] tunnel structure, α-MnO 2 can be applied to a cathode by insertion reaction and to an anode by conversion reaction in corresponding voltage ranges, in a lithium-based battery. Numerous reports have attributed its remarkable performance to its unique tunnel structure; however, the precise electrochemical reaction mechanism remains unknown. In this study, finding of the lithiation mechanism of α-MnO 2 nanowire by in situ transmission electron microscopy (TEM) ismore » reported. By elaborately modifying the existing in situ TEM experimental technique, rapid lithium-ion diffusion through the tunnels is verified. Furthermore, by tracing the full lithiation procedure, the evolution of the MnO intermediate phase and the development of the MnO and Li 2O phases with preferred orientations is demonstrated, which explains how the conversion reaction occurs in α-MnO 2 material. This study provides a comprehensive understanding of the electrochemical lithiation process and mechanism of α-MnO 2 material, in addition to the introduction of an improved in situ TEM biasing technique.« less

Linkage Disequilibrium and Haplotype Diversity in the Genes of the Renin–Angiotensin System: Findings From the Family Blood Pressure Program

PubMed Central

Zhu, Xiaofeng; Yan, Denise; Cooper, Richard S.; Luke, Amy; Ikeda, Morna A.; Chang, Yen-Pei C.; Weder, Alan; Chakravarti, Aravinda

2003-01-01

Association studies of candidate genes with complex traits have generally used one or a few single nucleotide polymorphisms (SNPs), although variation in the extent of linkage disequilibrium (LD) within genes markedly influences the sensitivity and precision of association studies. The extent of LD and the underlying haplotype structure for most candidate genes are still unavailable. We sampled 193 blacks (African-Americans) and 160 whites (European-Americans) and estimated the intragenic LD and the haplotype structure in four genes of the renin–angiotensin system. We genotyped 25 SNPs, with all but one of the pairs spaced between 1 and 20 kb, thus providing resolution at small scale. The pattern of LD within a gene was very heterogeneous. Using a robust method to define haplotype blocks, blocks of limited haplotype diversity were identified at each locus; between these blocks, LD was lost owing to the history of recombination events. As anticipated, there was less LD among blacks, the number of haplotypes was substantially larger, and shorter haplotype segments were found, compared with whites. These findings have implications for candidate-gene association studies and indicate that variation between populations of European and African origin in haplotype diversity is characteristic of most genes. [The sequence data described in this paper are available in GenBank under the following accession nos: AGT, MIM 106150; Renin, MIM 179820; ACE, MIM 106180; Angiotensin receptor I, MIM 106165. Supplementary material is available online at http://www.genome.org.] PMID:12566395

Fisher: a program for the detection of H/ACA snoRNAs using MFE secondary structure prediction and comparative genomics - assessment and update.

PubMed

Freyhult, Eva; Edvardsson, Sverker; Tamas, Ivica; Moulton, Vincent; Poole, Anthony M

2008-07-21

The H/ACA family of small nucleolar RNAs (snoRNAs) plays a central role in guiding the pseudouridylation of ribosomal RNA (rRNA). In an effort to systematically identify the complete set of rRNA-modifying H/ACA snoRNAs from the genome sequence of the budding yeast, Saccharomyces cerevisiae, we developed a program - Fisher - and previously presented several candidate snoRNAs based on our analysis 1. In this report, we provide a brief update of this work, which was aborted after the publication of experimentally-identified snoRNAs 2 identical to candidates we had identified bioinformatically using Fisher. Our motivation for revisiting this work is to report on the status of the candidate snoRNAs described in 1, and secondly, to report that a modified version of Fisher together with the available multiple yeast genome sequences was able to correctly identify several H/ACA snoRNAs for modification sites not identified by the snoGPS program 3. While we are no longer developing Fisher, we briefly consider the merits of the Fisher algorithm relative to snoGPS, which may be of use for workers considering pursuing a similar search strategy for the identification of small RNAs. The modified source code for Fisher is made available as supplementary material. Our results confirm the validity of using minimum free energy (MFE) secondary structure prediction to guide comparative genomic screening for RNA families with few sequence constraints.

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

PubMed

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

2018-02-07

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

Chemical Changes in Layered Ferroelectric Semiconductors Induced by Helium Ion Beam

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

Belianinov, Alex; Burch, Matthew J.; Hysmith, Holland E.

Transitioning to multi-material systems as either interfaced 2D materials or 3D heterostructures can lead to the next generation multi-functional device architectures. Combined direct physical and chemical nanoscale control of these systems offers a new way to tailor material and device functionality as functional structures reach their physical limit. Transition metal thiophosphate (TPS), Cu 1-xIn 1+x/3P 2S 6, that have ferroelectric polarization behavior as layered crystals at room temperature and above make them attractive candidates for direct material sculpting of both chemical and functional properties. The bulk material exhibits stable ferroelectric polarization corroborated by domain structures, rewritable polarization, and hysteresis loops.more » Our previous studies have demonstrated that ferroic order persists on the surface and that spinoidal decomposition of ferroelectric and paraelectric phases occurs in non-stoichiometric Cu/In ratio formulations. Here, we elucidate the chemical changes induced through helium ion irradiation in the TPS family library with varying Cu/In ratio formulations using correlated AFM and ToF-SIMS imaging. We correlate nano- and micro- structures that scale, in area and volume, to the total dose of the helium ion beam, as well as the overall copper concentration in the sample. Furthermore, our ToF-SIMS results show that ion irradiation leads to oxygen penetration as a function of Cu concentration, and proceeds along the Cu domains to the stopping distance of the helium ions in the TPS material. These results opens up new opportunities to understand and implement ferroicly coupled van der Waal devices into an existing framework of 2D heterostructures by locally tuning material chemistry and functionality.« less

Chemical Changes in Layered Ferroelectric Semiconductors Induced by Helium Ion Beam

DOE PAGES

Belianinov, Alex; Burch, Matthew J.; Hysmith, Holland E.; ...

2017-11-30

Transitioning to multi-material systems as either interfaced 2D materials or 3D heterostructures can lead to the next generation multi-functional device architectures. Combined direct physical and chemical nanoscale control of these systems offers a new way to tailor material and device functionality as functional structures reach their physical limit. Transition metal thiophosphate (TPS), Cu 1-xIn 1+x/3P 2S 6, that have ferroelectric polarization behavior as layered crystals at room temperature and above make them attractive candidates for direct material sculpting of both chemical and functional properties. The bulk material exhibits stable ferroelectric polarization corroborated by domain structures, rewritable polarization, and hysteresis loops.more » Our previous studies have demonstrated that ferroic order persists on the surface and that spinoidal decomposition of ferroelectric and paraelectric phases occurs in non-stoichiometric Cu/In ratio formulations. Here, we elucidate the chemical changes induced through helium ion irradiation in the TPS family library with varying Cu/In ratio formulations using correlated AFM and ToF-SIMS imaging. We correlate nano- and micro- structures that scale, in area and volume, to the total dose of the helium ion beam, as well as the overall copper concentration in the sample. Furthermore, our ToF-SIMS results show that ion irradiation leads to oxygen penetration as a function of Cu concentration, and proceeds along the Cu domains to the stopping distance of the helium ions in the TPS material. These results opens up new opportunities to understand and implement ferroicly coupled van der Waal devices into an existing framework of 2D heterostructures by locally tuning material chemistry and functionality.« less

Final report for Assembling Microorganisms into Energy Converting Materials

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

Sahin, Ozgur

The goal of this project was to integrate microorganisms capable of reversible energy transduction in response to changing relative humidity with non-biological materials to create hybrid energy conversion systems. While plants and many other biological organisms have developed structures that are extraordinarily effective in converting changes in relative humidity into mechanical energy, engineered energy transduction systems rarely take advantage of this powerful phenomenon. Rather than developing synthetic materials that can convert changes in relative humidity in to mechanical energy, we developed approaches to assemble bacterial spores into larger materials. These materials can convert energy from evaporation of water in drymore » atmospheric conditions, which we demonstrated by building energy harvesters from these materials. We have also developed experiments to investigate the interaction of water with the spore material, and to determine how this interaction imposes limits on energy conversion. In addition, we carried out theoretical calculations to investigate the limits imposed by the environmental conditions to the power available in the energy harvesting process. These calculations took into account heat and water vapor transfer in the atmosphere surrounding the spore based materials. Overall, our results suggest that biomolecular materials are promising candidates to convert energy from evaporation.« less

Moldable setting time evaluation between sodium alginate and bovine gelatine of glutinous rice mixture as dental putty materials

NASA Astrophysics Data System (ADS)

Takarini, V.; Hasratiningsih, Z.; Karlina, E.; Febrida, R.; Asri, L. A. T. W.; Purwasasmita, BS

2017-02-01

Putty elastomeric material is a viscous, moldable material that can be used as a dental impression to record and duplicate the tooth structure. Commercially available putty materials are hardly found in the Indonesian market. The aim of this work is to develop an alternative putty dental material from glutinous rice with two different gelling agents; sodium alginate and bovine gelatine. A commercially putty material was used as a control. The length of time required for the putty materials to set (setting time) was evaluated with compression set test. The result showed that sodium alginate and bovine gelatine gelling agents resulted in moldable putty materials that comparable to the commercial product. Glutinous rice mixed with sodium alginate gelling agent demonstrated longer setting time (more than 1 hours) compared to bovine gelatine (6 minutes). These may occur due to heat treatment applied to the bovine gelatine, while sodium alginate mixture has a chemical reaction since CaCl2 crosslink agent had been added to the mixture. Glutinous rice with bovine gelatine mixture is a promising candidate to be used as a dental putty material.

Charting the energy landscape of metal/organic interfaces via machine learning

NASA Astrophysics Data System (ADS)

Scherbela, Michael; Hörmann, Lukas; Jeindl, Andreas; Obersteiner, Veronika; Hofmann, Oliver T.

2018-04-01

The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. In this work, we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defects. This is achieved by training a machine learning model on a list of only 100 candidate structures that are evaluated via dispersion-corrected density functional theory (DFT) calculations. We demonstrate the power of this approach for tetracyanoethylene on Ag(100) and explain the anisotropic ordering that is observed experimentally.

Cryogenic insulation development

NASA Technical Reports Server (NTRS)

Leonhard, K. E.

1972-01-01

Multilayer insulations for long term cryogenic storage are described. The development effort resulted in an insulation concept using lightweight radiation shields, separated by low conductive Dacron fiber tufts. The insulation is usually referred to as Superfloc. The fiber tufts are arranged in a triangular pattern and stand about .040 in. above the radiation shield base. Thermal and structural evaluation of Superfloc indicated that this material is a strong candidate for the development of high performance thermal protection systems because of its high strength, purge gas evacuation capability during boost, its density control and easy application to a tank.

Charting the energy landscape of metal/organic interfaces via machine learning

DOE PAGES

Scherbela, Michael; Hormann, Lukas; Jeindl, Andreas; ...

2018-04-17

The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. Here in this work, we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defects. This is achieved by training a machine learning model on a list of only 100 candidate structures that are evaluated via dispersion-corrected density functional theory (DFT) calculations. Finally, we demonstrate the power of this approach for tetracyanoethylene on Ag(100) and explain the anisotropic ordering that is observed experimentally.

Charting the energy landscape of metal/organic interfaces via machine learning

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

Scherbela, Michael; Hormann, Lukas; Jeindl, Andreas

The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. Here in this work, we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defects. This is achieved by training a machine learning model on a list of only 100 candidate structures that are evaluated via dispersion-corrected density functional theory (DFT) calculations. Finally, we demonstrate the power of this approach for tetracyanoethylene on Ag(100) and explain the anisotropic ordering that is observed experimentally.

Hypersonic engine seal development at NASA Lewis Research Center

NASA Technical Reports Server (NTRS)

Steinetz, Bruce M.

1994-01-01

NASA Lewis Research Center is developing advanced seal concepts and sealing technology for advanced combined cycle ramjet/scramjet engines being designed for the National Aerospace Plane (NASP). Technologies are being developed for both the dynamic seals that seal the sliding interfaces between articulating engine panels and sidewalls, and for the static seals that seal the heat exchanger to back-up structure interfaces. This viewgraph presentation provides an overview of the candidate engine seal concepts, seal material assessments, and unique test facilities used to assess the leakage and thermal performance of the seal concepts.

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

Lee, Jongbok; Li, Huanbin; Kalin, Alexander J.

Well-defined, fused-ring aromatic oligomers represent promising candidates for the fundamental understanding and application of advanced carbon-rich materials, though bottom-up synthesis and structure–property correlation of these compounds remain challenging. In this work, an efficient synthetic route was employed to construct extended benzo[k]tetraphene-derived oligomers with up to 13 fused rings. The molecular and electronic structures of these compounds were clearly elucidated. Precise correlation of molecular sizes and crystallization dynamics was established, thus demonstrating the pivotal balance between intermolecular interaction and molecular mobility for optimized processing of highly ordered solids of these extended conjugated molecules.

Hypersonic engine seal development at NASA Lewis Research Center

NASA Astrophysics Data System (ADS)

Steinetz, Bruce M.

1994-07-01

NASA Lewis Research Center is developing advanced seal concepts and sealing technology for advanced combined cycle ramjet/scramjet engines being designed for the National Aerospace Plane (NASP). Technologies are being developed for both the dynamic seals that seal the sliding interfaces between articulating engine panels and sidewalls, and for the static seals that seal the heat exchanger to back-up structure interfaces. This viewgraph presentation provides an overview of the candidate engine seal concepts, seal material assessments, and unique test facilities used to assess the leakage and thermal performance of the seal concepts.

Shaft/shaft-seal interface characteristics of a multiple disk centrifugal blood pump.

PubMed

Manning, K B; Miller, G E

1999-06-01

A multiple disk centrifugal pump (MDCP) is under investigation as a potential left ventricular assist device. As is the case with most shaft driven pumps, leakage problems around the shaft/shaft seal interface are of major interest. If leakage were to occur during or after implantation, potential events such as blood loss, clotting, blood damage, and/or infections might result in adverse effects for the patient. Because these effects could be quite disastrous, potential shaft and shaft seal materials have been investigated to determine the most appropriate course to limit these effects. Teflon and nylon shaft seals were analyzed as potential candidates along with a stainless steel shaft and a Melonite coated shaft. The materials and shafts were evaluated under various time durations (15, 30, 45, and 60 min), motor speeds (800, 1,000, 1,200, and 1,400 rpm), and outer diameters (1/2 and 3/4 inches). The motor speed and geometrical configurations were typical for the MDCP under normal physiologic conditions. An air and water study was conducted to analyze the inner diameter wear, the inner temperature values, and the outer temperature values. Statistical comparisons were computed for the shaft seal materials, the shafts, and the outer diameters along with the inner and outer temperatures. The conclusions made from the results indicate that both the tested shaft seal materials and shaft materials are not ideal candidates to be used for the MDCP. Teflon experienced a significant amount of wear in air and water studies. Nylon did experience little wear, but heat generation was an evident problem. A water study on nylon was not conducted because of its molecular structure.

Coal gasification systems engineering and analysis. Appendix A: Coal gasification catalog

NASA Technical Reports Server (NTRS)

1980-01-01

The scope of work in preparing the Coal Gasification Data Catalog included the following subtasks: (1) candidate system subsystem definition, (2) raw materials analysis, (3) market analysis for by-products, (4) alternate products analysis, (5) preliminary integrated facility requirements. Definition of candidate systems/subsystems includes the identity of and alternates for each process unit, raw material requirements, and the cost and design drivers for each process design.

High-Temperature Phase Change Materials (PCM) Candidates for Thermal Energy Storage (TES) Applications

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

Gomez, J. C.

2011-09-01

It is clearly understood that lower overall costs are a key factor to make renewable energy technologies competitive with traditional energy sources. Energy storage technology is one path to increase the value and reduce the cost of all renewable energy supplies. Concentrating solar power (CSP) technologies have the ability to dispatch electrical output to match peak demand periods by employing thermal energy storage (TES). Energy storage technologies require efficient materials with high energy density. Latent heat TES systems using phase change material (PCM) are useful because of their ability to charge and discharge a large amount of heat from amore » small mass at constant temperature during a phase transformation like melting-solidification. PCM technology relies on the energy absorption/liberation of the latent heat during a physical transformation. The main objective of this report is to provide an assessment of molten salts and metallic alloys proposed as candidate PCMs for TES applications, particularly in solar parabolic trough electrical power plants at a temperature range from 300..deg..C to 500..deg.. C. The physical properties most relevant for PCMs service were reviewed from the candidate selection list. Some of the PCM candidates were characterized for: chemical stability with some container materials; phase change transformation temperatures; and latent heats.« less

Characterization of Candidate Solar Sail Material Exposed to Space Environmental Effects

NASA Technical Reports Server (NTRS)

Edwards, David; Hovater, Mary; Hubbs, Whitney; Wertz, George; Hollerman, William; Gray, Perry

2003-01-01

Solar sailing is a unique form of propulsion where a spacecraft gains momentum from incident photons. Solar sails are not limited by reaction mass and provide continual acceleration, reduced only by the lifetime of the lightweight film in the space environment and the distance to the Sun. Once thought to be difficult or impossible, solar sailing has come out of science fiction and into the realm of possibility. Any spacecraft using this method would need to deploy a thin sail that could be as large as many kilometers in extent. The availability of strong, ultra lightweight, and radiation resistant materials will determine the future of solar sailing. The National Aeronautics and Space Administration's Marshall Space Flight Center (MSFC) is concentrating research into the utilization of ultra lightweight materials for spacecraft propulsion. The Space Environmental Effects Team at MSFC is actively characterizing candidate solar sail material to evaluate the thermo-optical and mechanical properties after exposure to space environmental effects. This paper will describe the exposure of candidate solar sail materials to emulated space environmental effects including energetic electrons, combined electrons and Ultraviolet radiation, and hypervelocity impact of irradiated solar sail material. This paper will describe the testing procedure and the material characterization results of this investigation.

Properties of radiation stable insulation composites for fusion magnet

NASA Astrophysics Data System (ADS)

Wu, Zhixiong; Huang, Rongjin; Huang, Chuanjun; Li, Laifeng

2017-09-01

High field superconducting magnets made of Nb3Al will be a suitable candidate for future fusion device which can provide magnetic field over 15T without critical current degradation caused by strain. The higher magnetic field and the larger current will produce a huge electromagnetic force. Therefore, it is necessary to develop high strength cryogenic structural materials and electrical insulation materials with excellent performance. On the other hand, superconducting magnets in fusion devices will experience significant nuclear radiation exposure during service. While typical structural materials like stainless steel and titanium have proven their ability to withstand these conditions, electrical insulation materials used in these coils have not fared as well. In fact, recent investigations have shown that electrical insulation breakdown is a limiting factor in the performance of high field magnets. The insulation materials used in the high field fusion magnets should be characterized by excellent mechanical properties, high radiation resistivity and good thermal conductivity. To meet these objectives, we designed various insulation materials based on epoxy resins and cyanate ester resins and investigated their processing characteristic and mechanical properties before and after irradiation at low temperature. In this paper, the recent progress of the radiation stable insulation composites for high field fusion magnet is presented. The materials have been irradiated by 60Co γ-ray irradiation in air at ambient temperature with a dose rate of 300 Gy/min. The total doses of 1 MGy, 5 MGy and 10 MGy were selected to the test specimens.

Electromagnetic Thermography Nondestructive Evaluation: Physics-based Modeling and Pattern Mining

PubMed Central

Gao, Bin; Woo, Wai Lok; Tian, Gui Yun

2016-01-01

Electromagnetic mechanism of Joule heating and thermal conduction on conductive material characterization broadens their scope for implementation in real thermography based Nondestructive testing and evaluation (NDT&E) systems by imparting sensitivity, conformability and allowing fast and imaging detection, which is necessary for efficiency. The issue of automatic material evaluation has not been fully addressed by researchers and it marks a crucial first step to analyzing the structural health of the material, which in turn sheds light on understanding the production of the defects mechanisms. In this study, we bridge the gap between the physics world and mathematical modeling world. We generate physics-mathematical modeling and mining route in the spatial-, time-, frequency-, and sparse-pattern domains. This is a significant step towards realizing the deeper insight in electromagnetic thermography (EMT) and automatic defect identification. This renders the EMT a promising candidate for the highly efficient and yet flexible NDT&E. PMID:27158061

Graphene-Wrapped Ni(OH)2 Hollow Spheres as Novel Electrode Material for Supercapacitors.

PubMed

Sun, Jinfeng; Wang, Jinqing; Li, Zhangpeng; Ou, Junfei; Niu, Lengyuan; Wang, Honggang; Yang, Shengrong

2015-09-01

Graphene-wrapped Ni(OH)2 hollow spheres were prepared via electrostatic interaction between poly(diallyldimethylammonium chloride) (PDDA) modified Ni(OH)2 and graphene oxide (GO) in an aqueous dispersion, followed by the reduction of GO. Morphological and structural analysis by field-emission scanning electron microscopy, X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy and thermogravimetric analysis confirmed the successful coating of graphene on Ni(OH)2 hollow spheres with a content of 3.8 wt%. And then its application as electrode material for supercapacitor has been investigated by cyclic voltammetry (CV) and galvanostatic charge-discharge tests. Results show that the sample displays a high capacitance of 1368 F g(-1) at a current density of 1 A g(-1), much better than that of pure Ni(OH)2, illustrating that such composite is a promising candidate as electrode material for supercapacitors.

Conductometric Sensors for Monitoring Degradation of Automotive Engine Oil†

PubMed Central

Latif, Usman; Dickert, Franz L.

2011-01-01

Conductometric sensors have been fabricated by applying imprinted polymers as receptors for monitoring engine oil quality. Titania and silica layers are synthesized via the sol-gel technique and used as recognition materials for acidic components present in used lubricating oil. Thin-film gold electrodes forming an interdigitated structure are used as transducers to measure the conductance of polymer coatings. Optimization of layer composition is carried out by varying the precursors, e.g., dimethylaminopropyltrimethoxysilane (DMAPTMS), and aminopropyl-triethoxysilane (APTES). Characterization of these sensitive materials is performed by testing against oil oxidation products, e.g., carbonic acids. The results depict that imprinted aminopropyltriethoxysilane (APTES) polymer is a promising candidate for detecting the age of used lubricating oil. In the next strategy, polyurethane-nanotubes composite as sensitive material is synthesized, producing appreciable differentiation pattern between fresh and used oils at elevated temperature with enhanced sensitivity. PMID:22164094

Porous Hard Carbon Derived from Walnut Shell as an Anode Material for Sodium-Ion Batteries

NASA Astrophysics Data System (ADS)

Zhang, Sensen; Li, Ying; Li, Min

2018-02-01

Porous hard carbon with large interlayer distance was fabricated from walnut shells through a facile high-temperature pyrolysis process and investigated as an anode material for sodium-ion batteries (SIBs). The results show that the electrochemical performance is mainly dependent on the pyrolysis temperature. The porous hard carbon, which was carbonized at 1300°C, displays the highest reversible capacity of 230 mAh g-1 at 20 mA g-1 and an excellent cycling stability (96% capacity retained over 200 cycles). The promising electrochemical performances are attributed to the porous structure reducing distances for sodium ion diffusion and expanded interlayer spacing, which is beneficial for sodium reversible insertion/extraction. The excellent electrochemical performance as well as the low-cost and environmental friendliness demonstrates that walnut shell-derived porous hard carbon is a promising anode material candidate for SIBs.

CEMCAN Software Enhanced for Predicting the Properties of Woven Ceramic Matrix Composites

NASA Technical Reports Server (NTRS)

Murthy, Pappu L. N.; Mital, Subodh K.; DiCarlo, James A.

2000-01-01

Major advancements are needed in current high-temperature materials to meet the requirements of future space and aeropropulsion structural components. Ceramic matrix composites (CMC's) are one class of materials that are being evaluated as candidate materials for many high-temperature applications. Past efforts to improve the performance of CMC's focused primarily on improving the properties of the fiber, interfacial coatings, and matrix constituents as individual phases. Design and analysis tools must take into consideration the complex geometries, microstructures, and fabrication processes involved in these composites and must allow the composite properties to be tailored for optimum performance. Major accomplishments during the past year include the development and inclusion of woven CMC micromechanics methodology into the CEMCAN (Ceramic Matrix Composites Analyzer) computer code. The code enables one to calibrate a consistent set of constituent properties as a function of temperature with the aid of experimentally measured data.

SEM fractography studies of porous vitreous carbon: a candidate biomaterial.

PubMed

Tarr, R R

1979-09-01

A new porous vitreous carbon material under development for use in orthopedic applications was investigated. Specimens were machined to appropriate sizes and fractured in one of the following modes: compression, cantilevered bending, or axial torsion. Scanning electron microscopy (SEM) was used to examine surface and internal features. Characteristics of a brittle, glassy material were noted. Findings included internal voids which appeared as craters, patches of whiskerlike fibrils, and edge impurities. Numerous microcracks caused by mechanical shaping and handling were the most remarkable structural defects. Pore channels which would allow bony ingrowth ranged in size from 50--500 micrometers with the majority between 200 and 300 micrometers. This study of porous vitreous carbon points to the need for stricter quality control in manufacturing, alternative methods for shaping and handling, and careful consideration in design and usage of a brittle material with marginal limits of safety for biomedical applications.

Stable monolayer honeycomb-like structures of RuX2 (X =S,Se)

NASA Astrophysics Data System (ADS)

Ersan, Fatih; Cahangirov, Seymur; Gökoǧlu, Gökhan; Rubio, Angel; Aktürk, Ethem

2016-10-01

Recent studies show that several metal oxides and dichalcogenides (M X2) , which exist in nature, can be stable in two-dimensional (2D) form and each year several new M X2 structures are explored. The unstable structures in H (hexagonal) or T (octahedral) forms can be stabilized through Peierls distortion. In this paper, we propose new 2D forms of RuS2 and RuSe2 materials. We investigate in detail the stability, electronic, magnetic, optical, and thermodynamic properties of 2D Ru X2 (X =S,Se) structures from first principles. While their H and T structures are unstable, the distorted T structures (T'-Ru X2) are stable and have a nonmagnetic semiconducting ground state. The molecular dynamic simulations also confirm that T'-Ru X2 systems are stable even at 500 K without any structural deformation. T'-RuS2 and T'-RuSe2 have indirect band gaps with 0.745 eV (1.694 eV with HSE) and 0.798 eV (1.675 eV with HSE) gap values, respectively. We also examine their bilayer and trilayer forms and find direct and smaller band gaps. We find that AA stacking is more favorable than the AB configuration. The new 2D materials obtained can be good candidates with striking properties for applications in semiconductor electronic, optoelectronic devices, and sensor technology.