Elastic Anomaly and Polyamorphic Transition in (La, Ce)-based Bulk Metallic Glass under Pressure

DOE PAGES

Qi, Xintong; Zou, Yongtao; Wang, Xuebing; ...

2017-04-07

In this paper, we discovered that in association with the polyamorphism of La 32Ce 32Al 16Ni 5Cu 15 bulk metallic glass, the acoustic velocities, measured up to 12.3 GPa using ultrasonic interferometry, exhibit velocity minima at 1.8 GPa for P wave and 3.2 GPa for S wave. The low and high density amorphous states are distinguished by their distinct pressure derivatives of the bulk and shear moduli. The elasticity, permanent densification, and polyamorphic transition are interpreted by the topological rearrangement of solute-centered clusters in medium-range order (MRO) mediated by the 4f electron delocalization of Ce under pressure. The precisely measuredmore » acoustic wave travel times which were used to derive the velocities and densities provided unprecedented data to document the evolution of the bulk and shear elastic moduli associated with a polyamorphic transition in La 32Ce 32Al 16Ni 5Cu 15 bulk metallic glass and can shed new light on the mechanisms of polyamorphism and structural evolution in metallic glasses under pressure.« less

Glass Formation, Chemical Properties and Surface Analysis of Cu-Based Bulk Metallic Glasses

PubMed Central

Qin, Chunling; Zhao, Weimin; Inoue, Akihisa

2011-01-01

This paper reviews the influence of alloying elements Mo, Nb, Ta and Ni on glass formation and corrosion resistance of Cu-based bulk metallic glasses (BMGs). In order to obtain basic knowledge for application to the industry, corrosion resistance of the Cu–Hf–Ti–(Mo, Nb, Ta, Ni) and Cu–Zr–Ag–Al–(Nb) bulk glassy alloy systems in various solutions are reported in this work. Moreover, X-ray photoelectron spectroscopy (XPS) analysis is performed to clarify the surface-related chemical characteristics of the alloy before and after immersion in the solutions; this has lead to a better understanding of the correlation between the surface composition and the corrosion resistance. PMID:21731441

Ignition and combustion of bulk metals in a microgravity environment

NASA Technical Reports Server (NTRS)

Branch, Melvyn C.; Daily, J. W.; Abbud-Madrid, Angel

1994-01-01

Knowledge of the oxidation, ignition, and combustion of bulk metals is important for fire safety in the production, management, and utilization of liquid and gaseous oxygen for ground based and space applications. This report summarizes research under NASA support to investigate the ignition and combustion characteristics of bulk metals under varying gravity conditions. Metal ignition and combustion have not been studied previously under these conditions and the results are important not only for improved fire safety but also to increase knowledge of basic ignition and combustion mechanisms. The studies completed to date have led to the development of a clean and reproducible ignition source and diagnostic techniques for combustion measurements and have provided normal gravity combustion data on ten different pure metals. Metal specimens were ignited using a xenon short-arc lamp and measurements were made of the radiant energy flux, surface temperature history, spectroscopy of surface and gas products, and surface morphology and chemistry. Elevated gravity was provided by the University of Colorado Geotechnical Centrifuge.

Extreme rejuvenation and softening in a bulk metallic glass.

PubMed

Pan, J; Wang, Y X; Guo, Q; Zhang, D; Greer, A L; Li, Y

2018-02-08

Rejuvenation of metallic glasses, bringing them to higher-energy states, is of interest in improving their plasticity. The mechanisms of rejuvenation are poorly understood, and its limits remain unexplored. We use constrained loading in compression to impose substantial plastic flow on a zirconium-based bulk metallic glass. The maximum measured effects are that the hardness of the glass decreases by 36%, and its excess enthalpy (above the relaxed state) increases to 41% of the enthalpy of melting. Comparably high degrees of rejuvenation have been reported only on microscopic scales at the centre of shear bands confined to low volume fractions. This extreme rejuvenation of a bulk glass gives a state equivalent to that obtainable by quenching the liquid at ~10 10  K s -1 , many orders of magnitude faster than is possible for bulk specimens. The contrast with earlier results showing relaxation in similar tests under tension emphasizes the importance of hydrostatic stress.

Guided evolution of bulk metallic glass nanostructures: A platform for designing three-dimensional electrocatalytic surfaces

DOE PAGES

Doubek, Gustavo; Sekol, Ryan C.; Li, Jinyang; ...

2015-12-22

Precise control over catalyst surface composition and structure is necessary to improve the function of electrochemical systems. To that end, bulk metallic glass (BMG) alloys with atomically dispersed elements provide a highly processable, nanoscale platform for electrocatalysis and surface modification. Here we report on nanostructures of Pt-based BMGs that are modified with various subtractive and additive processes to improve their electrochemical performance.

Transport Physics Mechanisms in Thin-Film Oxides.

NASA Astrophysics Data System (ADS)

Tierney, Brian D.; Hjalmarson, Harold P.; Jacobs-Gedrim, Robin B.; James, Conrad D.; Marinella, Matthew M.

A physics-based model of electron transport mechanisms in metal-insulating oxide-metal (M-I-M) systems is presented focusing on transport through the metal-oxide interfaces and in the bulk of the oxide. Interface tunneling, such as electron tunneling between the metal and the conduction band, or to oxide defect states, is accounted for via a WKB model. The effects of thermionic emission are also included. In the bulk of the oxide, defect-site hopping is dominant. Corresponding continuum calculations are performed for Ta2O5 M-I-M systems utilizing two different metal electrodes, e.g., platinum and tantalum. Such an asymmetrical M-I-M structure, applicable to resistive memory applications or oxide-based capacitors, reveals that the current can be either bulk or interface limited depending on the bias polarity and concentration of oxygen vacancy defects. Also, the dominance of some transport mechanisms over others is shown to be due to a complex interdependence between the vacancy concentration and bias polarity. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Quantifying the density and utilization of active sites in non-precious metal oxygen electroreduction catalysts

PubMed Central

Sahraie, Nastaran Ranjbar; Kramm, Ulrike I.; Steinberg, Julian; Zhang, Yuanjian; Thomas, Arne; Reier, Tobias; Paraknowitsch, Jens-Peter; Strasser, Peter

2015-01-01

Carbon materials doped with transition metal and nitrogen are highly active, non-precious metal catalysts for the electrochemical conversion of molecular oxygen in fuel cells, metal air batteries, and electrolytic processes. However, accurate measurement of their intrinsic turn-over frequency and active-site density based on metal centres in bulk and surface has remained difficult to date, which has hampered a more rational catalyst design. Here we report a successful quantification of bulk and surface-based active-site density and associated turn-over frequency values of mono- and bimetallic Fe/N-doped carbons using a combination of chemisorption, desorption and 57Fe Mössbauer spectroscopy techniques. Our general approach yields an experimental descriptor for the intrinsic activity and the active-site utilization, aiding in the catalyst development process and enabling a previously unachieved level of understanding of reactivity trends owing to a deconvolution of site density and intrinsic activity. PMID:26486465

Economic manufacturing of bulk metallic glass compositions by microalloying

DOEpatents

Liu, Chain T.

2003-05-13

A method of making a bulk metallic glass composition includes the steps of:a. providing a starting material suitable for making a bulk metallic glass composition, for example, BAM-11; b. adding at least one impurity-mitigating dopant, for example, Pb, Si, B, Sn, P, to the starting material to form a doped starting material; and c. converting the doped starting material to a bulk metallic glass composition so that the impurity-mitigating dopant reacts with impurities in the starting material to neutralize deleterious effects of the impurities on the formation of the bulk metallic glass composition.

Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

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

Zeng, Zhenhua; Chan, Maria K. Y.; Zhao, Zhi-Jian

2015-08-13

Electrochemical potential/pH (Pourbaix) diagrams underpin many aqueous electrochemical processes and are central to the identification of stable phases of metals for processes ranging from electrocatalysis to corrosion. Even though standard DFT calculations are potentially powerful tools for the prediction of such diagrams, inherent errors in the description of transition metal (hydroxy)oxides, together with neglect of van der Waals interactions, have limited the reliability of such predictions for even the simplest pure metal bulk compounds, and corresponding predictions for more complex alloy or surface structures are even more challenging. In the present work, through synergistic use of a Hubbard U correction,more » a state-of-the-art dispersion correction, and a water-based bulk reference state for the calculations, these errors are systematically corrected. The approach describes the weak binding that occurs between hydroxyl-containing functional groups in certain compounds in Pourbaix diagrams, corrects for self-interaction errors in transition metal compounds, and reduces residual errors on oxygen atoms by preserving a consistent oxidation state between the reference state, water, and the relevant bulk phases. The strong performance is illustrated on a series of bulk transition metal (Mn, Fe, Co and Ni) hydroxides, oxyhydroxides, binary, and ternary oxides, where the corresponding thermodynamics of redox and (de)hydration are described with standard errors of 0.04 eV per (reaction) formula unit. The approach further preserves accurate descriptions of the overall thermodynamics of electrochemically-relevant bulk reactions, such as water formation, which is an essential condition for facilitating accurate analysis of reaction energies for electrochemical processes on surfaces. The overall generality and transferability of the scheme suggests that it may find useful application in the construction of a broad array of electrochemical phase diagrams, including both bulk Pourbaix diagrams and surface phase diagrams of interest for corrosion and electrocatalysis.« less

Tribological characterisation of Zr-based bulk metallic glass in simulated physiological media

NASA Astrophysics Data System (ADS)

Chen, Q.; Chan, K. C.; Liu, L.

2011-10-01

Due to their excellent wear resistant properties and high strength, as well as a low Young's modulus, Zr-based bulk metallic glasses (BMGs) are potentially suitable biomaterials for low-friction arthroplasty. The wear characteristics of the Zr60.14Cu22.31Fe4.85Al9.7Ag3 bulk amorphous alloy against ultra-high-molecular-weight polyethylene (UHMWPE) compared to a CoCrMo/UHMWPE combination were investigated in two different wear screening test devices, reciprocating and unidirectional. Hank's solution and sterile calf bovine serum were selected as the lubricant fluid media. It was found that different fluid media had insignificant effect on polyethylene wear against BMG counterfaces. The wear behaviour obtained on both test devices demonstrated that Zr-based BMG achieved UHMWPE counterface wear rates superior to conventional cast CoCrMo alloy, where the wear rate of UHMWPE is decreased by over 20 times. The tribological performance of these joints is superior to that of conventional metal-on-polymer designs. Contact angle measurements suggested that the advantage of BMG over a CoCrMo alloy counterface is attributed to its highly hydrophilic surfaces.

Viscous flow of the Pd43Ni10Cu27P20 bulk metallic glass-forming liquid

NASA Astrophysics Data System (ADS)

Fan, G. J.; Fecht, H.-J.; Lavernia, E. J.

2004-01-01

The equilibrium viscosity of the Pd43Ni10Cu27P20 bulk metallic glass-forming liquid was measured over a wide temperature range from the equilibrium supercooled liquid state to the glass transition region using parallel-plate rheometry and three-point beam bending. Based on the measured viscosity data, the fragility of this liquid was quantitatively determined. The Pd43Ni10Cu27P20 alloy, despite exhibiting the best glass-forming ability reported thus far, is relatively fragile compared with other bulk glass-forming liquids, such as Vit 1 and Vit 4.

Friction stir welding of Zr-based bulk metallic glass

NASA Astrophysics Data System (ADS)

Ji, Y. S.; Fujii, H.; Maeda, M.; Nakata, K.; Kimura, H.; Inoue, A.; Nogi, K.

2009-05-01

A Zr55Cu30Al10Ni5 bulk metallic glass plate was successfully welded below its crystallization temperature by friction stir welding. The flash formation and heat concentration at the shoulder edge was minimized using a wider tool and the angle of the recessed shoulder surface was 3°. To analyze the crystallization of the base material and stir zone, the microstructure and mechanical properties were analyzed using DSC, XRD, TEM, and micro-hardness. As a result, it was found that the amorphous structure and original mechanical properties were maintained in the whole joints.

Study of phonon modes and elastic properties of Sc36Al24Co20Y20 and Gd36Al24Co20Y20 rare-earth bulk metallic glasses

NASA Astrophysics Data System (ADS)

Suthar, P. H.; Gajjar, P. N.; Thakore, B. Y.; Jani, A. R.

2013-04-01

A phonon modes and elastic properties of two different rare-earth based bulk metallic glasses Sc36Al24Co20Y20 and Gd36Al24Co20Y20 are computed using Hubbard-Beeby approach and our well established model potential. The local field correlation functions due to Hartree (H), Taylor (T), Ichimaru and Utsumi (IU), Farid et al (F) and Sarkar Sen et al (S) are employed to investigate the influence of the screening effects on the vibrational dynamics of Sc36Al24Co20Y20 and Gd36Al24Co20Y20 bulk metallic glasses. The results for bulk modulus BT, modulus of rigidity G, Poisson's ratio ξ, Young's modulus Y, Debye temperature ΘD, propagation velocity of elastic waves and dispersion curves are reported. The computed elastic properties are found to be in good agreement with experimental and other available data.

The Relationship between Bulk and Mobile Forms of Heavy Metals in Soils of Kursk

NASA Astrophysics Data System (ADS)

Nevedrov, N. P.; Protsenko, E. P.; Glebova, I. V.

2018-01-01

The contamination of Kursk urboecotopes by heavy metals (Pb, Cd, Zn, Cu, Ni) is considered. The relationships between the contents of bulk and mobile forms of heavy metal ions have been examined. The results of monitoring studies attest to a tendency for the accumulation of both bulk and mobile forms of heavy metals in the humus-accumulative horizon, except for bulk cadmium and mobile nickel. Linear and nonlinear regression models of the bulk contents of Pb, Cd, Zn, and Ni as dependent on the contents of their mobile forms have been developed. These models allow us to calculate the bulk content of heavy metal ions in the soils of urboecotopes using simpler methods of the extraction and laboratory determination of their mobile forms.

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

NASA Astrophysics Data System (ADS)

Pilarczyk, Wirginia

2016-06-01

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

Induction detection of concealed bulk banknotes

NASA Astrophysics Data System (ADS)

Fuller, Christopher; Chen, Antao

2012-06-01

The smuggling of bulk cash across borders is a serious issue that has increased in recent years. In an effort to curb the illegal transport of large numbers of paper bills, a detection scheme has been developed, based on the magnetic characteristics of bank notes. The results show that volumes of paper currency can be detected through common concealing materials such as plastics, cardboard, and fabrics making it a possible potential addition to border security methods. The detection scheme holds the potential of also reducing or eliminating false positives caused by metallic materials found in the vicinity, by observing the stark difference in received signals caused by metal and currency. The detection scheme holds the potential to detect for both the presence and number of concealed bulk notes, while maintaining the ability to reduce false positives caused by metal objects.

Hydrogen Abundances in Metal Grains from the Hammadah Al Hamra (HaH) 237 Metal-rich Chondrite: A Test of the Nebular-Formation Theory

NASA Technical Reports Server (NTRS)

Lauretta, D. S.; Guan, Y.; Leshin, L. A.

2005-01-01

The Bencubbin-like (CB) chondrites are metal-rich, primitive meteorites [1,2]. Some of these chondrites (HaH 237, QUE 94411) contain compositionally zoned metal grains with near-chondritic bulk compositions. Thermodynamic modeling of the zoning patterns in these grains suggests that they were formed by condensation in a region of the solar nebula with enhanced dust/gas ratios and a total pressure of 10(exp -4) bars at temperatures between 1400 - 1500 K [3]. If these predictions are correct than the metal grains would have been exposed to abundant H2 gas, which comprises the bulk of nebular systems. Since Fe-based alloys can absorb significant quantities of H, metal grains formed in the solar nebula should contain measurable abundances of H.

Mechanical rejuvenation in bulk metallic glass induced by thermo-mechanical creep

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

Tong, Yang; Dmowski, W.; Bei, Hongbin

Using high energy X-ray diffraction we studied the temperature, stress, and time effect on structural changes in a Zr-based bulk metallic glass induced by thermo-mechanical creep. Pair distribution functions obtained from two-dimensional diffraction patterns show that thermo-mechanical creep induces structural disordering, but only when the stress beyond a threshold is applied. A similar threshold behavior was observed for anelastic strain. We conclude that anelastic creep strain induces rejuvenation, whereas plastic strain does not.

Mechanical rejuvenation in bulk metallic glass induced by thermo-mechanical creep

DOE PAGES

Tong, Yang; Dmowski, W.; Bei, Hongbin; ...

2018-02-16

Using high energy X-ray diffraction we studied the temperature, stress, and time effect on structural changes in a Zr-based bulk metallic glass induced by thermo-mechanical creep. Pair distribution functions obtained from two-dimensional diffraction patterns show that thermo-mechanical creep induces structural disordering, but only when the stress beyond a threshold is applied. A similar threshold behavior was observed for anelastic strain. We conclude that anelastic creep strain induces rejuvenation, whereas plastic strain does not.

Combinatorial Strategies for the Development of Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Ding, Shiyan

The systematic identification of multi-component alloys out of the vast composition space is still a daunting task, especially in the development of bulk metallic glasses that are typically based on three or more elements. In order to address this challenge, combinatorial approaches have been proposed. However, previous attempts have not successfully coupled the synthesis of combinatorial libraries with high-throughput characterization methods. The goal of my dissertation is to develop efficient high-throughput characterization methods, optimized to identify glass formers systematically. Here, two innovative approaches have been invented. One is to measure the nucleation temperature in parallel for up-to 800 compositions. The composition with the lowest nucleation temperature has a reasonable agreement with the best-known glass forming composition. In addition, the thermoplastic formability of a metallic glass forming system is determined through blow molding a compositional library. Our results reveal that the composition with the largest thermoplastic deformation correlates well with the best-known formability composition. I have demonstrated both methods as powerful tools to develop new bulk metallic glasses.

Pair distribution function study and mechanical behavior of as-cast and structurally relaxed Zr-based bulk metallic glasses

NASA Astrophysics Data System (ADS)

Fan, Cang; Liaw, P. K.; Wilson, T. W.; Choo, H.; Gao, Y. F.; Liu, C. T.; Proffen, Th.; Richardson, J. W.

2006-12-01

Contrary to reported results on structural relaxation inducing brittleness in amorphous alloys, the authors found that structural relaxation actually caused an increase in the strength of Zr55Cu35Al10 bulk metallic glass (BMG) without changing the plasticity. Three dimensional models were rebuilt for the as-cast and structurally relaxed BMGs by reverse Monte Carlo (RMC) simulations based on the pair distribution function (PDF) measured by neutron scattering. Only a small portion of the atom pairs was found to change to more dense packing. The concept of free volume was defined based on the PDF and RMC studies, and the mechanism of mechanical behavior was discussed.

Plastic deformation behaviors of Ni- and Zr-based bulk metallic glasses subjected to nanoindentation

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

Weizhong, Liang, E-mail: wzliang1966@126.com; Zhiliang, Ning; Zhenqian, Dang

2013-12-15

Plastic deformation behaviors of Ni{sub 42}Ti{sub 20}Zr{sub 21.5}Al{sub 8}Cu{sub 5}Si{sub 3.5} and Zr{sub 51}Ti{sub 5}Ni{sub 10}Cu{sub 25}Al{sub 9} bulk metallic glasses at room temperature were studied by nanoindentation testing and atomic force microscopy under equivalent indentation experimental conditions. The different chemical composition of these two bulk metallic glasses produced variant tendencies for displacement serrated flow to occur during the loading process. The nanoindentation strain rate was calculated as a function of indentation displacement in order to verify the occurrence of displacement serrated flow at different loading rates. Atomic force microscopy revealed decreasing numbers of discrete shear bands around the indentationmore » sites as loading rates increased from 0.025 to 2.5 mNs{sup −1}. Variations in plastic deformation behaviors between Ni and Zr-based glasses materials can be explained by the different metastable microstructures and thermal stabilities of the two materials. The mechanism governing plastic deformation of these metallic glasses was analyzed in terms of an established model of the shear transformation zone. - Highlights: • Plastic deformation of Ni- and Zr-based BMG is studied under identical conditions • Zr-based BMG undergoes a greater extent of plastic deformation than Ni-based BMG • Nanoindentation strain rate is studied to clarify variation in plastic deformation • Metastable microstructure, thermal stability affect BMG plastic deformation.« less

Method of synthesizing bulk transition metal carbide, nitride and phosphide catalysts

DOEpatents

Choi, Jae Soon; Armstrong, Beth L; Schwartz, Viviane

2015-04-21

A method for synthesizing catalyst beads of bulk transmission metal carbides, nitrides and phosphides is provided. The method includes providing an aqueous suspension of transition metal oxide particles in a gel forming base, dropping the suspension into an aqueous solution to form a gel bead matrix, heating the bead to remove the binder, and carburizing, nitriding or phosphiding the bead to form a transition metal carbide, nitride, or phosphide catalyst bead. The method can be tuned for control of porosity, mechanical strength, and dopant content of the beads. The produced catalyst beads are catalytically active, mechanically robust, and suitable for packed-bed reactor applications. The produced catalyst beads are suitable for biomass conversion, petrochemistry, petroleum refining, electrocatalysis, and other applications.

Bulk metal concentrations versus total suspended solids in rivers: Time-invariant & catchment-specific relationships.

PubMed

Nasrabadi, Touraj; Ruegner, Hermann; Schwientek, Marc; Bennett, Jeremy; Fazel Valipour, Shahin; Grathwohl, Peter

2018-01-01

Suspended particles in rivers can act as carriers of potentially bioavailable metal species and are thus an emerging area of interest in river system monitoring. The delineation of bulk metals concentrations in river water into dissolved and particulate components is also important for risk assessment. Linear relationships between bulk metal concentrations in water (CW,tot) and total suspended solids (TSS) in water can be used to easily evaluate dissolved (CW, intercept) and particle-bound metal fluxes (CSUS, slope) in streams (CW,tot = CW + CSUS TSS). In this study, we apply this principle to catchments in Iran (Haraz) and Germany (Ammer, Goldersbach, and Steinlach) that show differences in geology, geochemistry, land use and hydrological characteristics. For each catchment, particle-bound and dissolved concentrations for a suite of metals in water were calculated based on linear regressions of total suspended solids and total metal concentrations. Results were replicable across sampling campaigns in different years and seasons (between 2013 and 2016) and could be reproduced in a laboratory sedimentation experiment. CSUS values generally showed little variability in different catchments and agree well with soil background values for some metals (e.g. lead and nickel) while other metals (e.g. copper) indicate anthropogenic influences. CW was elevated in the Haraz (Iran) catchment, indicating higher bioavailability and potential human and ecological health concerns (where higher values of CSUS/CW are considered as a risk indicator).

Bulk metal concentrations versus total suspended solids in rivers: Time-invariant & catchment-specific relationships

PubMed Central

Ruegner, Hermann; Schwientek, Marc; Bennett, Jeremy; Fazel Valipour, Shahin; Grathwohl, Peter

2018-01-01

Suspended particles in rivers can act as carriers of potentially bioavailable metal species and are thus an emerging area of interest in river system monitoring. The delineation of bulk metals concentrations in river water into dissolved and particulate components is also important for risk assessment. Linear relationships between bulk metal concentrations in water (CW,tot) and total suspended solids (TSS) in water can be used to easily evaluate dissolved (CW, intercept) and particle-bound metal fluxes (CSUS, slope) in streams (CW,tot = CW + CSUS TSS). In this study, we apply this principle to catchments in Iran (Haraz) and Germany (Ammer, Goldersbach, and Steinlach) that show differences in geology, geochemistry, land use and hydrological characteristics. For each catchment, particle-bound and dissolved concentrations for a suite of metals in water were calculated based on linear regressions of total suspended solids and total metal concentrations. Results were replicable across sampling campaigns in different years and seasons (between 2013 and 2016) and could be reproduced in a laboratory sedimentation experiment. CSUS values generally showed little variability in different catchments and agree well with soil background values for some metals (e.g. lead and nickel) while other metals (e.g. copper) indicate anthropogenic influences. CW was elevated in the Haraz (Iran) catchment, indicating higher bioavailability and potential human and ecological health concerns (where higher values of CSUS/CW are considered as a risk indicator). PMID:29342204

Pulsed Laser Beam Welding of Pd43Cu27Ni10P20 Bulk Metallic Glass.

PubMed

Shao, Ling; Datye, Amit; Huang, Jiankang; Ketkaew, Jittisa; Woo Sohn, Sung; Zhao, Shaofan; Wu, Sujun; Zhang, Yuming; Schwarz, Udo D; Schroers, Jan

2017-08-11

We used pulsed laser beam welding method to join Pd 43 Cu 27 Ni 10 P 20 (at.%) bulk metallic glass and characterized the properties of the joint. Fusion zone and heat-affected zone in the weld joint can be maintained completely amorphous as confirmed by X-ray diffraction and differential scanning calorimetry. No visible defects were observed in the weld joint. Nanoindentation and bend tests were carried out to determine the mechanical properties of the weld joint. Fusion zone and heat-affected zone exhibit very similar elastic moduli and hardness when compared to the base material, and the weld joint shows high ductility in bending which is accomplished through the operation of multiple shear bands. Our results reveal that pulsed laser beam welding under appropriate processing parameters provides a practical viable method to join bulk metallic glasses.

Shock wave response of a zirconium-based bulk metallic glass and its composite

NASA Astrophysics Data System (ADS)

Zhuang, Shiming; Lu, Jun; Ravichandran, Guruswami

2002-06-01

A zirconium-based bulk metallic glass, Zr41.2Ti13.8Cu12.5Ni10Be22.5 (Vit 1), and its composite, Zr56.3Ti13.8Cu6.9Ni5.6Nb5.0Be12.5 (beta-Vit), were subjected to planar impact loading. A surprisingly low amplitude elastic precursor and bulk wave, corresponding to the elastic response of the "frozen structure" of the intact metallic glasses, were observed to precede the rate-dependent large deformation shock wave. A concave downward curvature after the initial increase of the Us-Up shock Hugoniots suggests that a phase-change-like transition occurred during shock compression. Further, compression damage occurred due to the shear localization. The spalling in Vit 1 was induced by shear localization, while in beta-Vit, it was due to debonding of the beta-phase boundary from the matrix. The spall strengths at strain rate of 2 x106 s-1 were determined to be 2.35 and 2.11 GPa for Vit 1 and beta-Vit, respectively.

Microelectrodes Based investigation of the Impacts of Water Chemistry on Copper and Iron Corrosion

EPA Science Inventory

The effect of bulk drinking water quality on copper and iron pipe corrosion has been extensively studied. Despite past research, many have argued that bulk water quality does not necessarily reflect water quality near the water-metal interface and that such knowledge is necessary...

A study of deformation and strain induced in bulk by the oxide layers formation on a Fe-Cr-Al alloy in high-temperature liquid Pb-Bi eutectic

DOE PAGES

Popovic, M. P.; Chen, K.; Shen, H.; ...

2018-03-29

At elevated temperatures, heavy liquid metals and their alloys are known to create a highly corrosive environment that causes irreversible degradation of most iron-based materials. In this paper, it has been found that an appropriate concentration of oxygen in the liquid alloy can significantly reduce this issue by creating a passivating oxide scale that controls diffusion, especially if Al is present in Fe-based materials (by Al-oxide formation). However, the increase of the temperature and of oxygen content in liquid phase leads to the increase of oxygen diffusion into bulk, and to promotion of the internal Al oxidation. This can causemore » a strain in bulk near the oxide layer, due either to mismatch between the thermal expansion coefficients of the oxides and bulk material, or to misfit of the crystal lattices (bulk vs. oxides). This work investigates the strain induced into proximal bulk of a Fe-Cr-Al alloy by oxide layers formation in liquid lead-bismuth eutectic utilizing synchrotron X-ray Laue microdiffraction. Finally, it is found that internal oxidation is the most likely cause for the strain in the metal rather than thermal expansion mismatch as a two-layer problem.« less

A study of deformation and strain induced in bulk by the oxide layers formation on a Fe-Cr-Al alloy in high-temperature liquid Pb-Bi eutectic

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

Popovic, M. P.; Chen, K.; Shen, H.

At elevated temperatures, heavy liquid metals and their alloys are known to create a highly corrosive environment that causes irreversible degradation of most iron-based materials. In this paper, it has been found that an appropriate concentration of oxygen in the liquid alloy can significantly reduce this issue by creating a passivating oxide scale that controls diffusion, especially if Al is present in Fe-based materials (by Al-oxide formation). However, the increase of the temperature and of oxygen content in liquid phase leads to the increase of oxygen diffusion into bulk, and to promotion of the internal Al oxidation. This can causemore » a strain in bulk near the oxide layer, due either to mismatch between the thermal expansion coefficients of the oxides and bulk material, or to misfit of the crystal lattices (bulk vs. oxides). This work investigates the strain induced into proximal bulk of a Fe-Cr-Al alloy by oxide layers formation in liquid lead-bismuth eutectic utilizing synchrotron X-ray Laue microdiffraction. Finally, it is found that internal oxidation is the most likely cause for the strain in the metal rather than thermal expansion mismatch as a two-layer problem.« less

Evolution of the Valley Position in Bulk Transition-Metal Chalcogenides and Their Monolayer Limit

DOE PAGES

Yuan, Hongtao; Liu, Zhongkai; Xu, Gang; ...

2016-07-12

Valley physics based on layered transition metal chalcogenides have recently sparked much interest due to their potential spintronics and valleytronics applications. However, most current understanding of the electronic structure near band valleys in momentum space is based on either theoretical investigations or optical measurements, leaving the detailed band structure elusive. For example, the exact position of the conduction band valley of bulk MoS 2 remains controversial. Here, using angle-resolved photoemission spectroscopy with sub-micron spatial resolution (micro- ARPES), we systematically imaged the conduction/valence band structure evolution across representative chalcogenides MoS 2, WS 2 and WSe 2, as well as the thicknessmore » dependent electronic structure from bulk to the monolayer limit. These results establish a solid basis to understand the underlying valley physics of these materials, and also provide a link between chalcogenide electronic band structure and their physical properties for potential valleytronics applications.« less

Design and Characterisation of Metallic Glassy Alloys of High Neutron Shielding Capability

NASA Astrophysics Data System (ADS)

Khong, J. C.; Daisenberger, D.; Burca, G.; Kockelmann, W.; Tremsin, A. S.; Mi, J.

2016-11-01

This paper reports the design, making and characterisation of a series of Fe-based bulk metallic glass alloys with the aim of achieving the combined properties of high neutron absorption capability and sufficient glass forming ability. Synchrotron X-ray diffraction and pair distribution function methods were used to characterise the crystalline or amorphous states of the samples. Neutron transmission and macroscopic attenuation coefficients of the designed alloys were measured using energy resolved neutron imaging method and the very recently developed microchannel plate detector. The study found that the newly designed alloy (Fe48Cr15Mo14C15B6Gd2 with a glass forming ability of Ø5.8 mm) has the highest neutron absorption capability among all Fe-based bulk metallic glasses so far reported. It is a promising material for neutron shielding applications.

Design and Characterisation of Metallic Glassy Alloys of High Neutron Shielding Capability.

PubMed

Khong, J C; Daisenberger, D; Burca, G; Kockelmann, W; Tremsin, A S; Mi, J

2016-11-16

This paper reports the design, making and characterisation of a series of Fe-based bulk metallic glass alloys with the aim of achieving the combined properties of high neutron absorption capability and sufficient glass forming ability. Synchrotron X-ray diffraction and pair distribution function methods were used to characterise the crystalline or amorphous states of the samples. Neutron transmission and macroscopic attenuation coefficients of the designed alloys were measured using energy resolved neutron imaging method and the very recently developed microchannel plate detector. The study found that the newly designed alloy (Fe 48 Cr 15 Mo 14 C 15 B 6 Gd 2 with a glass forming ability of Ø5.8 mm) has the highest neutron absorption capability among all Fe-based bulk metallic glasses so far reported. It is a promising material for neutron shielding applications.

Ductilizing bulk metallic glass composite by tailoring stacking fault energy.

PubMed

Wu, Y; Zhou, D Q; Song, W L; Wang, H; Zhang, Z Y; Ma, D; Wang, X L; Lu, Z P

2012-12-14

Martensitic transformation was successfully introduced to bulk metallic glasses as the reinforcement micromechanism. In this Letter, it was found that the twinning property of the reinforcing crystals can be dramatically improved by reducing the stacking fault energy through microalloying, which effectively alters the electron charge density redistribution on the slipping plane. The enhanced twinning propensity promotes the martensitic transformation of the reinforcing austenite and, consequently, improves plastic stability and the macroscopic tensile ductility. In addition, a general rule to identify effective microalloying elements based on their electronegativity and atomic size was proposed.

Method for Manufacturing Bulk Metallic Glass-Based Strain Wave Gear Components

NASA Technical Reports Server (NTRS)

Hofmann, Douglas C. (Inventor); Wilcox, Brian H. (Inventor)

2017-01-01

Systems and methods in accordance with embodiments of the invention implement bulk metallic glass-based strain wave gears and strain wave gear components. In one embodiment, a method of fabricating a strain wave gear includes: shaping a BMG-based material using a mold in conjunction with one of a thermoplastic forming technique and a casting technique; where the BMG-based material is shaped into one of: a wave generator plug, an inner race, an outer race, a rolling element, a flexspline, a flexspline without a set of gear teeth, a circular spline, a circular spline without a set of gear teeth, a set of gear teeth to be incorporated within a flexspline, and a set of gear teeth to be incorporated within a circular spline.

Fabrication and Mechanical Behavior of Ex Situ Mg-Based Bulk Metallic Glass Matrix Composite Reinforced with Electroless Cu-Coated SiC Particles.

PubMed

Wang, Xin; Zhao, Lichen; Hu, Ximei; Cheng, Yongjian; Liu, Shuiqing; Chen, Peng; Cui, Chunxiang

2017-11-30

Magnesium-based bulk metallic glass matrix composites (BMGMCs) have better plasticity than the corresponding bulk metallic glasses (BMGs); however, their strength and density are often compromised due to the fact that the effective reinforcement phase is mostly plastic heavy metal. For lightweight SiC-particle reinforced BMGMCs, interface wettability and the sharpness of the particles often reduce the strengthening effect. In this work, SiC particles were coated with a thin Cu coating by electroless plating, and added to Mg 54 Cu 26.5 Ag 8.5 Gd 11 melt in an amount of 5 wt % to prepare a BMGMC. The microstructure of the interface, mechanical behavior and fracture morphology of the BMGMC were studied by scanning electron microscopy and quasi-static compression testing. The results showed that the Cu coating improved the wettability between SiC and the matrix alloy without obvious interfacial reactions, leading to the dispersion of SiC particles in the matrix. The addition of Cu-coated SiC particles improved the plastic deformation ability of Mg 54 Cu 26.5 Ag 8.5 Gd 11 BMG, proving that electroless plating was an effective method for controlling the interface microstructure and mechanical behavior of BMGMCs.

Source apportionment of atmospheric bulk deposition in the Belgrade urban area using Positive Matrix factorization

NASA Astrophysics Data System (ADS)

Tasić, M.; Mijić, Z.; Rajšić, S.; Stojić, A.; Radenković, M.; Joksić, J.

2009-04-01

The primary objective of the present study was to assess anthropogenic impacts of heavy metals to the environment by determination of total atmospheric deposition of heavy metals. Atmospheric depositions (wet + dry) were collected monthly, from June 2002 to December 2006, at three urban locations in Belgrade, using bulk deposition samplers. Concentrations of Fe, Al, Pb, Zn, Cu, Ni, Mn, Cr, V, As and Cd were analyzed using atomic absorption spectrometry. Based upon these results, the study attempted to examine elemental associations in atmospheric deposition and to elucidate the potential sources of heavy metal contaminants in the region by the use of multivariate receptor model Positive Matrix Factorization (PMF).

Deficiency of the bulk spin Hall effect model for spin-orbit torques in magnetic-insulator/heavy-metal heterostructures

NASA Astrophysics Data System (ADS)

Li, Junxue; Yu, Guoqiang; Tang, Chi; Liu, Yizhou; Shi, Zhong; Liu, Yawen; Navabi, Aryan; Aldosary, Mohammed; Shao, Qiming; Wang, Kang L.; Lake, Roger; Shi, Jing

2017-06-01

Electrical currents in a magnetic-insulator/heavy-metal heterostructure can induce two simultaneous effects, namely, spin Hall magnetoresistance (SMR) on the heavy-metal side and spin-orbit torques (SOTs) on the magnetic-insulator side. Within the framework of a pure spin current model based on the bulk spin Hall effect (SHE), the ratio of the spin Hall-induced anomalous Hall effect (SH-AHE) to SMR should be equal to the ratio of the fieldlike torque (FLT) to the dampinglike torque (DLT). We perform a quantitative study of SMR, SH-AHE, and SOTs in a series of thulium iron garnet/platinum or T m3F e5O12/Pt heterostructures with different T m3F e5O12 thicknesses, where T m3F e5O12 is a ferrimagnetic insulator with perpendicular magnetic anisotropy. We find the ratio between the measured effective fields of FLT and DLT is at least two times larger than the ratio of the SH-AHE to SMR. In addition, the bulk SHE model grossly underestimates the spin-torque efficiency of FLT. Our results reveal deficiencies of the bulk SHE model and also address the importance of interfacial effects such as the Rashba and magnetic proximity effects in magnetic-insulator/heavy-metal heterostructures.

Electronic, Mechanical, and Dielectric Properties of Two-Dimensional Atomic Layers of Noble Metals

NASA Astrophysics Data System (ADS)

Kapoor, Pooja; Kumar, Jagdish; Kumar, Arun; Kumar, Ashok; Ahluwalia, P. K.

2017-01-01

We present density functional theory-based electronic, mechanical, and dielectric properties of monolayers and bilayers of noble metals (Au, Ag, Cu, and Pt) taken with graphene-like hexagonal structure. The Au, Ag, and Pt bilayers stabilize in AA-stacked configuration, while the Cu bilayer favors the AB stacking pattern. The quantum ballistic conductance of the noble-metal mono- and bilayers is remarkably increased compared with their bulk counterparts. Among the studied systems, the tensile strength is found to be highest for the Pt monolayer and bilayer. The noble metals in mono- and bilayer form show distinctly different electron energy loss spectra and reflectance spectra due to the quantum confinement effect on going from bulk to the monolayer limit. Such tunability of the electronic and dielectric properties of noble metals by reducing the degrees of freedom of electrons offers promise for their use in nanoelectronics and optoelectronics applications.

Zr-based bulk metallic glass as a cylinder material for high pressure apparatuses

DOE PAGES

Komatsu, Kazuki; Munakata, Koji; Matsubayashi, Kazuyuki; ...

2015-05-12

Zirconium-based bulk metallic glass (Zr-based BMG) has outstanding properties as a cylinder mate- rial for piston-cylinder high pressure apparatuses and is especially useful for neutron scattering. The piston-cylinder consisting of a Zr-based BMG cylinder with outer/inner diameters of 8.8/2.5 mm sustains pressures up to 1.81 GPa and ruptured at 2.0 GPa, with pressure values determined by the superconduct- ing temperature of lead. The neutron attenuation of Zr-based BMG is similar to that of TiZr null-scattering alloy and more transparent than that of CuBe alloy. No contamination of sharp Bragg reflections is observed in the neutron diffraction pattern for Zr-based BMG.more » The magnetic susceptibility of Zr-based BMG is similar to that of CuBe alloy; this leads to a potential application for measurements of magnetic properties under pressure.« less

Flexible transparent conductors based on metal nanowire networks

DOE PAGES

Guo, Chuan Fei; Ren, Zhifeng

2015-04-01

Few conductors are transparent and flexible. Metals have the best electrical conductivity, but they are opaque and stiff in bulk form. However, metals can be transparent and flexible when they are very thin or properly arranged on the nanoscale. This review focuses on the flexible transparent conductors based on percolating networks of metal. Specifically, we discuss the fabrication, the means to improve the electrical conductivity, the large stretchability and its mechanism, and the applications of these metal networks. We also suggest some criteria for evaluating flexible transparent conductors and propose some new research directions in this emerging field.

Defect-mediated, thermally-activated encapsulation of metals at the surface of graphite

DOE PAGES

Zhou, Yinghui; Lii-Rosales, Ann; Kim, Minsung; ...

2017-11-04

Here, we show that 3 metals – Dy, Ru, and Cu – can form multilayer intercalated (encapsulated) islands at the graphite (0001) surface if 2 specific conditions are met: Defects are introduced on the graphite terraces to act as entry portals, and the metal deposition temperature is well above ambient. Focusing on Dy as a prototype, we show that surface encapsulation is much different than bulk intercalation, because the encapsulated metal takes the form of bulk-like rafts of multilayer Dy, rather than the dilute, single-layer structure known for the bulk compound. Carbon-covered metallic rafts even form for relatively unreactive metalsmore » (Ru and Cu) which have no known bulk intercalation compound.« less

Design and Characterisation of Metallic Glassy Alloys of High Neutron Shielding Capability

PubMed Central

Khong, J. C.; Daisenberger, D.; Burca, G.; Kockelmann, W.; Tremsin, A. S.; Mi, J.

2016-01-01

This paper reports the design, making and characterisation of a series of Fe-based bulk metallic glass alloys with the aim of achieving the combined properties of high neutron absorption capability and sufficient glass forming ability. Synchrotron X-ray diffraction and pair distribution function methods were used to characterise the crystalline or amorphous states of the samples. Neutron transmission and macroscopic attenuation coefficients of the designed alloys were measured using energy resolved neutron imaging method and the very recently developed microchannel plate detector. The study found that the newly designed alloy (Fe48Cr15Mo14C15B6Gd2 with a glass forming ability of Ø5.8 mm) has the highest neutron absorption capability among all Fe-based bulk metallic glasses so far reported. It is a promising material for neutron shielding applications. PMID:27848991

Surface chemistry, microstructure and friction properties of some ferrous-base metallic glasses at temperatures to 750 C

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1982-01-01

X-ray photoelectron spectroscopy analysis, transmission electron microscopy, diffraction studies, and sliding friction experiments were conducted with ferrous-base metallic glasses in sliding contact with aluminum oxide at temperatures from room to 750 C in a vacuum of 30 nPa. The results indicate that there is a significant temperature influence on the friction properties, surface chemistry, and microstructure of metallic glasses. The relative concentrations of the various constituents at the surface of the sputtered specimens were very different from the normal bulk compositions. Contaminants can come from the bulk of the material to the surface upon heating and impart boric oxide and silicon oxide at 350 C and boron nitride above 500 C. The coefficient of friction increased with increasing temperature to 350 C. Above 500 C the coefficient of friction decreased rapidly. The segregation of contaminants may be responsible for the friction behavior.

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

Zhou, Yinghui; Lii-Rosales, Ann; Kim, Minsung

Here, we show that 3 metals – Dy, Ru, and Cu – can form multilayer intercalated (encapsulated) islands at the graphite (0001) surface if 2 specific conditions are met: Defects are introduced on the graphite terraces to act as entry portals, and the metal deposition temperature is well above ambient. Focusing on Dy as a prototype, we show that surface encapsulation is much different than bulk intercalation, because the encapsulated metal takes the form of bulk-like rafts of multilayer Dy, rather than the dilute, single-layer structure known for the bulk compound. Carbon-covered metallic rafts even form for relatively unreactive metalsmore » (Ru and Cu) which have no known bulk intercalation compound.« less

Tritium migration to the surfaces of Type 316 stainless steel; aluminum 6061; and oxygen-free, high-conductivity copper

DOE PAGES

Sharpe, M.; Shmayda, W. T.; Schroder, W. U.

2016-05-25

The migration of tritium to the surfaces of aluminum 6061, oxygen-free, high-conductivity copper (OFHC), and stainless-steel 316 from the bulk metal was studied using low-pressure Tonks–Langmuir argon plasma. The plasma is shown to be effective at removing tritium from metal surfaces in a controlled manner. Tritium is removed in decreasing quantities with successive plasma exposures, which suggests a depletion of the surface and near-surface tritium inventories. A diffusion model was developed to predict tritium migration from the bulk and its accumulation in the water layers present on the metal surface. The model reproduces the rate of tritium re-growth on themore » surface for all three metals and can be used to calculate the triton solubility in the water layers present on metal surfaces. The ratio of surface-to-bulk solubilities at the water-layer/bulk-metal interface uniquely determines the concentration ratio between these two media. Removing the tritium-rich water layers induces tritium to migrate from the bulk to the surface. Furthermore, this process is driven by a concentration gradient that develops in the bulk because of the perturbation on the surface.« less

Lithium assisted “dissolution–alloying” synthesis of nanoalloys from individual bulk metals

DOE PAGES

Barkholtz, Heather M.; Gallagher, James R.; Li, Tao; ...

2016-03-27

Here, we report new fundamental chemistry involved in the synthesis of bimetallic nanoalloys via dissolving the pure bulk transition metals in molten lithium. It is revealed at the atomic level that when two pure bulk transition metals such as Pd and Pt are placed in molten lithium (~200°C), they undergo a dissolution process in which the metal-metal bonds in pure bulk transition metals are completely ruptured, resulting in the existence of individual Pd and Pt atoms surrounded by lithium atoms, as is evident by synchrotron Xray adsorption techniques. Then, upon the conversion of metal lithium to LiOH in humid air,more » the Pd and Pt atoms undergo an alloying process, to aggregate into nanoalloys. This method was further expanded to include PdZn, which is notoriously difficult to prepare via traditional nanoalloy synthesis methods due to the easily oxidizable Zn component. The constantly reducing environment of metallic Li allowed for preparation of PdZn nanoalloys with minimal Zn oxidation via dissolution-alloying of individual bulk transition metals in molten lithium. Additionally, this lithium assisted “dissolutionalloying” method bypasses many complications intrinsic to conventional ion reductionbased nanoalloy synthesis including the necessity of ligated metal ions, the use of proper reducing agents and dispersing surfactants, and the presence of segregated phases due to different reduction potentials of the constituent metal ions.« less

Electron-band theory inspired design of magnesium-precious metal bulk metallic glasses with high thermal stability and extended ductility.

PubMed

Laws, Kevin J; Shamlaye, Karl F; Granata, Davide; Koloadin, Leah S; Löffler, Jörg F

2017-06-13

Magnesium-based bulk metallic glasses (BMGs) exhibit high specific strengths and excellent glass-forming ability compared to other metallic systems, making them suitable candidates for next-generation materials. However, current Mg-based BMGs tend to exhibit low thermal stability and are prone to structural relaxation and brittle failure. This study presents a range of new magnesium-precious metal-based BMGs from the ternary Mg-Ag-Ca, Mg-Ag-Yb, Mg-Pd-Ca and Mg-Pd-Yb alloy systems with Mg content greater than 67 at.%. These alloys were designed for high ductility by utilising atomic bond-band theory and a topological efficient atomic packing model. BMGs from the Mg-Pd-Ca alloy system exhibit high glass-forming ability with critical casting sizes of up to 3 mm in diameter, the highest glass transition temperatures (>200 °C) of any reported Mg-based BMG to date, and sustained compressive ductility. Alloys from the Mg-Pd-Yb family exhibit critical casting sizes of up to 4 mm in diameter, and the highest compressive plastic (1.59%) and total (3.78%) strain to failure of any so far reported Mg-based glass. The methods and theoretical approaches presented here demonstrate a significant step forward in the ongoing development of this extraordinary class of materials.

Role of Alloying Additions in Glass Formation and Properties of Bulk Metallic Glasses

PubMed Central

Chen, Na; Martin, Laura; Luzguine-Luzgin, Dmitri V.; Inoue, Akihisa

2010-01-01

Alloying addition, as a means of improving mechanical properties and saving on costs of materials, has been applied to a broad range of uses and products in the metallurgical fields. In the field of bulk metallic glasses (BMGs), alloying additions have also proven to play effective and important roles in promoting glass formation, enhancing thermal stability and improving plasticity of the materials. Here, we review the work on the role of alloying additions in glass formation and performance improvement of BMGs, with focus on our recent results of alloying additions in Pd-based BMGs. PMID:28883386

Impact of intracellular metallothionein on metal biouptake and partitioning dynamics at bacterial interfaces.

PubMed

Présent, Romain M; Rotureau, Elise; Billard, Patrick; Pagnout, Christophe; Sohm, Bénédicte; Flayac, Justine; Gley, Renaud; Pinheiro, José P; Duval, Jérôme F L

2017-11-08

Genetically engineered microorganisms are alternatives to physicochemical methods for remediation of metal-contaminated aquifers due to their remarkable bioaccumulation capacities. The design of such biosystems would benefit from the elaboration of a sound quantitative connection between performance in terms of metal removal from aqueous solution and dynamics of the multiscale processes leading to metal biouptake. In this work, this elaboration is reported for Escherichia coli cells modified to overexpress intracellular metallothionein (MTc), a strong proteinaceous metal chelator. Depletion kinetics of Cd(ii) from bulk solution following biouptake and intracellular accumulation is addressed as a function of cell volume fraction using electroanalytical probes and ligand exchange-based analyses. It is shown that metal biouptake in the absence and presence of MTc is successfully interpreted on the basis of a formalism recently developed for metal partitioning dynamics at biointerfaces with integration of intracellular metal speciation. The analysis demonstrates how fast sequestration of metals by intracellular MTc bypasses metal excretion (efflux) and enhances the rate of metal depletion to an extent such that complete removal is achieved at sufficiently large cell volume fractions. The magnitude of the stability constant of nanoparticulate metal-MTc complexes, as derived from refined analysis of macroscopic bulk metal depletion data, is further confirmed by independent electrochemical measurement of metal binding by purified MTc extracts.

Development of High Strength Ni-Cu-Zr-Ti-Si-Sn In-Situ Bulk Metallic Glass Composites Reinforced by Hard B2 Phase

NASA Astrophysics Data System (ADS)

Park, Hyo Jin; Hong, Sung Hwan; Park, Hae Jin; Kim, Young Seok; Kim, Jeong Tae; Na, Young Sang; Lim, Ka Ram; Wang, Wei-Min; Kim, Ki Buem

2018-03-01

In the present study, the influence of atomic ratio of Zr to Ti on the microstructure and mechanical properties of Ni-Cu-Zr-Ti-Si-Sn alloys is investigated. The alloys were designed by fine replacement of Ti for Zr from Ni39Cu20Zr36-xTixSi2Sn3. The increase of Ti content enhances glass forming ability of the alloy by suppression of formation of (Ni, Cu)10(Zr, Ti)7 phase during solidification. With further increasing Ti content up to 24 at.%, the B2 phase is introduced in the amorphous matrix with a small amount of B19' phase from alloy melt. The bulk metallic glass composite containing B2 phase with a volume fraction of 10 vol% exhibits higher fracture strength ( 2.5 GPa) than that of monolithic bulk metallic glass ( 2.3 GPa). This improvement is associated to the individual mechanical characteristics of the B2 phase and amorphous matrix. The B2 phase exhibits higher hardness and modulus than those of amorphous matrix as well as effective stress accommodation up to the higher stress level than the yield strength of amorphous matrix. The large stress accommodation capacity of the hard B2 phase plays an important factor to improve the mechanical properties of in situ Ni-based bulk metallic glass composites.

High-k shallow traps observed by charge pumping with varying discharging times

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

Ho, Szu-Han; Chen, Ching-En; Tseng, Tseung-Yuen

2013-11-07

In this paper, we investigate the influence of falling time and base level time on high-k bulk shallow traps measured by charge pumping technique in n-channel metal-oxide-semiconductor field-effect transistors with HfO{sub 2}/metal gate stacks. N{sub T}-V{sub high} {sub level} characteristic curves with different duty ratios indicate that the electron detrapping time dominates the value of N{sub T} for extra contribution of I{sub cp} traps. N{sub T} is the number of traps, and I{sub cp} is charge pumping current. By fitting discharge formula at different temperatures, the results show that extra contribution of I{sub cp} traps at high voltage are inmore » fact high-k bulk shallow traps. This is also verified through a comparison of different interlayer thicknesses and different Ti{sub x}N{sub 1−x} metal gate concentrations. Next, N{sub T}-V{sub high} {sub level} characteristic curves with different falling times (t{sub falling} {sub time}) and base level times (t{sub base} {sub level}) show that extra contribution of I{sub cp} traps decrease with an increase in t{sub falling} {sub time}. By fitting discharge formula for different t{sub falling} {sub time}, the results show that electrons trapped in high-k bulk shallow traps first discharge to the channel and then to source and drain during t{sub falling} {sub time}. This current cannot be measured by the charge pumping technique. Subsequent measurements of N{sub T} by charge pumping technique at t{sub base} {sub level} reveal a remainder of electrons trapped in high-k bulk shallow traps.« less

Fracture behaviors under pure shear loading in bulk metallic glasses

NASA Astrophysics Data System (ADS)

Chen, Cen; Gao, Meng; Wang, Chao; Wang, Wei-Hua; Wang, Tzu-Chiang

2016-12-01

Pure shear fracture test, as a special mechanical means, had been carried out extensively to obtain the critical information for traditional metallic crystalline materials and rocks, such as the intrinsic deformation behavior and fracture mechanism. However, for bulk metallic glasses (BMGs), the pure shear fracture behaviors have not been investigated systematically due to the lack of a suitable test method. Here, we specially introduce a unique antisymmetrical four-point bend shear test method to realize a uniform pure shear stress field and study the pure shear fracture behaviors of two kinds of BMGs, Zr-based and La-based BMGs. All kinds of fracture behaviors, the pure shear fracture strength, fracture angle and fracture surface morphology, are systematically analyzed and compared with those of the conventional compressive and tensile fracture. Our results indicate that both the Zr-based and La-based BMGs follow the same fracture mechanism under pure shear loading, which is significantly different from the situation of some previous research results. Our results might offer new enlightenment on the intrinsic deformation and fracture mechanism of BMGs and other amorphous materials.

Fracture behaviors under pure shear loading in bulk metallic glasses.

PubMed

Chen, Cen; Gao, Meng; Wang, Chao; Wang, Wei-Hua; Wang, Tzu-Chiang

2016-12-23

Pure shear fracture test, as a special mechanical means, had been carried out extensively to obtain the critical information for traditional metallic crystalline materials and rocks, such as the intrinsic deformation behavior and fracture mechanism. However, for bulk metallic glasses (BMGs), the pure shear fracture behaviors have not been investigated systematically due to the lack of a suitable test method. Here, we specially introduce a unique antisymmetrical four-point bend shear test method to realize a uniform pure shear stress field and study the pure shear fracture behaviors of two kinds of BMGs, Zr-based and La-based BMGs. All kinds of fracture behaviors, the pure shear fracture strength, fracture angle and fracture surface morphology, are systematically analyzed and compared with those of the conventional compressive and tensile fracture. Our results indicate that both the Zr-based and La-based BMGs follow the same fracture mechanism under pure shear loading, which is significantly different from the situation of some previous research results. Our results might offer new enlightenment on the intrinsic deformation and fracture mechanism of BMGs and other amorphous materials.

Ignition and combustion of bulk metals at normal, elevated and reduced gravity

NASA Technical Reports Server (NTRS)

Branch, Melvyn C.; Daily, John W.; Abbud-Madrid, Angel

1995-01-01

Knowledge of the oxidation, ignition, and combustion of bulk metals is important for fire safety in the production, management, and utilization of liquid and gaseous oxygen for ground based and space applications. This proposal outlines studies in continuation of research initiated earlier under NASA support to investigate the ignition and combustion characteristics of bulk metals under varying gravity conditions. Metal ignition and combustion have not been studied previously under these conditions and the results are important not only for improved fire safety but also to increase knowledge of basic ignition and combustion mechanisms. The studies completed to date have led to the development of a clean and reproducible ignition source and diagnostic techniques for combustion measurements and have provided normal, elevated, and reduced gravity combustion data on a variety of different pure metals. The research conducted under this grant will use the apparatus and techniques developed earlier to continue the elevated and low gravity experiments, and to develop the overall modeling of the ignition and combustion process. Metal specimens are to be ignited using a xenon short-arc lamp and measurements are to be made of the ignition energy, surface temperature history, burning rates, spectroscopy of surface and gas products, and surface morphology and chemistry. Elevated gravity will be provided by the University of Colorado Geotechnical Centrifuge and microgravity will be obtained in NASA's DC-9 Reduced Gravity aircraft.

Evaluation of metal biouptake from the analysis of bulk metal depletion kinetics at various cell concentrations: theory and application.

PubMed

Rotureau, Elise; Billard, Patrick; Duval, Jérôme F L

2015-01-20

Bioavailability of trace metals is a key parameter for assessment of toxicity on living organisms. Proper evaluation of metal bioavailability requires monitoring the various interfacial processes that control metal partitioning dynamics at the biointerface, which includes metal transport from solution to cell membrane, adsorption at the biosurface, internalization, and possible excretion. In this work, a methodology is proposed to quantitatively describe the dynamics of Cd(II) uptake by Pseudomonas putida. The analysis is based on the kinetic measurement of Cd(II) depletion from bulk solution at various initial cell concentrations using electroanalytical probes. On the basis of a recent formalism on the dynamics of metal uptake by complex biointerphases, the cell concentration-dependent depletion time scales and plateau values reached by metal concentrations at long exposure times (>3 h) are successfully rationalized in terms of limiting metal uptake flux, rate of excretion, and metal affinity to internalization sites. The analysis shows the limits of approximate depletion models valid in the extremes of high and weak metal affinities. The contribution of conductive diffusion transfer of metals from the solution to the cell membrane in governing the rate of Cd(II) uptake is further discussed on the basis of estimated resistances for metal membrane transfer and extracellular mass transport.

Solvent properties of hydrazine in the preparation of metal chalcogenide bulk materials and films.

PubMed

Yuan, Min; Mitzi, David B

2009-08-21

A combination of unique solvent properties of hydrazine enables the direct dissolution of a range of metal chalcogenides at ambient temperature, rendering this an extraordinarily simple and soft synthetic approach to prepare new metal chalcogenide-based materials. The extended metal chalcogenide parent framework is broken up during this process, and the resulting metal chalcogenide building units are re-organized into network structures (from 0D to 3D) based upon their interactions with the hydrazine/hydrazinium moieties. This Perspective will review recent crystal and materials chemistry developments within this family of compounds and will briefly discuss the utility of this approach in metal chalcogenide thin-film deposition.

Influence of thin-film metallic glass coating on fatigue behavior of bulk metallic glass: Experiments and finite element modeling

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

Yu, Chia-Chi; Chu, Jinn P.; Jia, Haoling

In this paper, a coating of the Zr-based thin-film metallic glass (TFMG) was deposited on the Zr 50Cu 30Al 10Ni 10 bulk metallic glass (BMG) to investigate shear-band evolution under four-point-bend fatigue testing. The fatigue endurance-limit of the TFMG-coated samples is ~ 33% higher than that of the BMG. The results of finite-element modeling (FEM) revealed a delay in the shear-band nucleation and propagation in TFMG-coated samples under applied cyclic-loading. The FEM study of spherical indentation showed that the redistribution of stress by the TFMG coating prevents localized shear-banding in the BMG substrate. Finally, the enhanced fatigue characteristics of themore » BMG substrates can be attributed to the TFMG coatings retarding shear-band initiation at defects on the surface of the BMG.« less

Influence of thin-film metallic glass coating on fatigue behavior of bulk metallic glass: Experiments and finite element modeling

DOE PAGES

Yu, Chia-Chi; Chu, Jinn P.; Jia, Haoling; ...

2017-03-21

In this paper, a coating of the Zr-based thin-film metallic glass (TFMG) was deposited on the Zr 50Cu 30Al 10Ni 10 bulk metallic glass (BMG) to investigate shear-band evolution under four-point-bend fatigue testing. The fatigue endurance-limit of the TFMG-coated samples is ~ 33% higher than that of the BMG. The results of finite-element modeling (FEM) revealed a delay in the shear-band nucleation and propagation in TFMG-coated samples under applied cyclic-loading. The FEM study of spherical indentation showed that the redistribution of stress by the TFMG coating prevents localized shear-banding in the BMG substrate. Finally, the enhanced fatigue characteristics of themore » BMG substrates can be attributed to the TFMG coatings retarding shear-band initiation at defects on the surface of the BMG.« less

Feasibility of using bulk metallic glass for self-expandable stent applications.

PubMed

Praveen Kumar, Gideon; Jafary-Zadeh, Mehdi; Tavakoli, Rouhollah; Cui, Fangsen

2017-10-01

Self-expandable stents are widely used to restore blood flow in a diseased artery segment by keeping the artery open after angioplasty. Despite the prevalent use of conventional crystalline metallic alloys, for example, nitinol, to construct self-expandable stents, new biomaterials such as bulk metallic glasses (BMGs) are being actively pursued to improve stent performance. Here, we conducted a series of analyses including finite element analysis and molecular dynamics simulations to investigate the feasibility of using a prototypical Zr-based BMG for self-expandable stent applications. We model stent crimping of several designs for different percutaneous applications. Our results indicate that BMG-based stents with diamond-shaped crowns suffer from severe localization of plastic deformation and abrupt failure during crimping. As a possible solution, we further illustrate that such abrupt failure could be avoided in BMG-based stents without diamond shape crowns. This work would open a new horizon for a quest toward exploiting superior mechanical and functional properties of metallic glasses to design future stents. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1874-1882, 2017. © 2016 Wiley Periodicals, Inc.

High pressure die casting of Fe-based metallic glass.

PubMed

Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

2016-10-11

Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications.

High pressure die casting of Fe-based metallic glass

NASA Astrophysics Data System (ADS)

Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

2016-10-01

Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications.

High pressure die casting of Fe-based metallic glass

PubMed Central

Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

2016-01-01

Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications. PMID:27725780

Nanoindentation study on the characteristic of shear transformation zone in a Pd-based bulk metallic glass during serrated flow

NASA Astrophysics Data System (ADS)

Liao, G. K.; Long, Z. L.; Zhao, M. S. Z.; Peng, L.; Chai, W.; Ping, Z. H.

2018-04-01

This paper presents the research on the evolution of shear transformation zone (STZ) in a Pd-based bulk metallic glass (BMG) during serrated flow under nanoindentation. A novel method of estimating the STZ volume through statistical analysis of the serrated flow behavior was proposed for the first time. Based on the proposed method, the STZ volume of the studied BMG at various peak loads have been systematically investigated. The results indicate that the measured STZ volumes are in good agreement with that documented in literature, and the STZ size exhibits an increasing trend during indentation. Moreover, the correlation between the serrated flow dynamics and the STZ activation has also been evaluated. It is found that the STZ activation can promote the formation of self-organized critical (SOC) state during serrated flow.

Determination of bulk and interface density of states in metal oxide semiconductor thin-film transistors by using capacitance-voltage characteristics

NASA Astrophysics Data System (ADS)

Wei, Xixiong; Deng, Wanling; Fang, Jielin; Ma, Xiaoyu; Huang, Junkai

2017-10-01

A physical-based straightforward extraction technique for interface and bulk density of states in metal oxide semiconductor thin film transistors (TFTs) is proposed by using the capacitance-voltage (C-V) characteristics. The interface trap density distribution with energy has been extracted from the analysis of capacitance-voltage characteristics. Using the obtained interface state distribution, the bulk trap density has been determined. With this method, for the interface trap density, it is found that deep state density nearing the mid-gap is approximately constant and tail states density increases exponentially with energy; for the bulk trap density, it is a superposition of exponential deep states and exponential tail states. The validity of the extraction is verified by comparisons with the measured current-voltage (I-V) characteristics and the simulation results by the technology computer-aided design (TCAD) model. This extraction method uses non-numerical iteration which is simple, fast and accurate. Therefore, it is very useful for TFT device characterization.

Anomalous shear band characteristics and extra-deep shock-affected zone in Zr-based bulk metallic glass treated with nanosecond laser peening.

PubMed

Wei, Yanpeng; Xu, Guangyue; Zhang, Kun; Yang, Zhe; Guo, Yacong; Huang, Chenguang; Wei, Bingchen

2017-03-07

The effects of nanosecond laser peening on Zr 41 Ti 14 Cu 12.5 Ni 10 Be 22.5 metallic glass were investigated in this study. The peening treatment produced an extra-deep shock-affected zone compared to crystal metal. As opposed to the conventional shear bands, numerous arc shear bands appeared and aggregated in the vertical direction of the laser beam, forming basic units for accommodating plastic deformation. The arc shear bands exhibited short and discrete features near the surface of the material, then grew longer and fewer at deeper peened layer depths, which was closely related to the laser shock wave attenuation. An energy dissipation model was established based on Hugoniot Elastic Limit and shear band characteristics to represent the formation of an extra-deep shock-affected zone. The results presented here suggest that the bulk modification of metallic glass with a considerable affected depth is feasible. Further, they reveal that nanosecond laser peening is promising as an effective approach to tuning shear bands for improved MGs ductility.

Bulk and surface half-metallicity: The case of D0{sub 3}-type Mn{sub 3}Ge

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

Liu, Hao; Gao, G. Y., E-mail: guoying-gao@mail.hust.edu.cn; Hu, Lei

2014-01-21

Motivated by the experimental realization of D0{sub 22}-type Mn{sub 3}Ge (001) films [Kurt et al. Appl. Phys. Lett. 101, 132410 (2012)] and the structural stability of D0{sub 3}-type Heusler alloy Mn{sub 3}Ge [Zhang et al. J. Phys.: Condens. Matter 25, 206006 (2013)], we use the first-principles calculations based on the full potential linearized augmented plane-wave method to investigate the electronic and magnetic properties of D0{sub 3}-type Heusler alloy Mn{sub 3}Ge and its (001) surface. We show that bulk D0{sub 3}-Mn{sub 3}Ge is a half-metallic ferromagnet with the minority-spin energy gap of 0.52 eV and the magnetic moment of 1.00 μ{sub B} permore » formula unit. The bulk half-metallicity is preserved at the pure Mn-terminated (001) surface due to the large exchange split, but the MnGe-terminated (001) surface destroys the bulk half-metallicity. We also reveal that the surface stabilities are comparable between the D0{sub 3}-Mn{sub 3}Ge (001) and the experimental D0{sub 22}-Mn{sub 3}Ge (001), which indicates the feasibility to grow the Mn{sub 3}Ge (001) films with D0{sub 3} phase other than D0{sub 22} one. The surface half-metallicity and stability make D0{sub 3}-Mn{sub 3}Ge a promising candidate for spintronic applications.« less

Merely Measuring the UV-Visible Spectrum of Gold Nanoparticles Can Change Their Charge State.

PubMed

Navarrete, Jose; Siefe, Chris; Alcantar, Samuel; Belt, Michael; Stucky, Galen D; Moskovits, Martin

2018-02-14

Metallic nanostructures exhibit a strong plasmon resonance at a wavelength whose value is sensitive to the charge density in the nanostructure, its size, shape, interparticle coupling, and the dielectric properties of its surrounding medium. Here we use UV-visible transmission and reflectance spectroscopy to track the shifts of the plasmon resonance in an array of gold nanoparticles buried under metal-oxide layers of varying thickness produced using atomic layer deposition (ALD) and then coated with bulk layers of one of three metals: aluminum, silver, or gold. A significant shift in the plasmon resonance was observed and a precise value of ω p , the plasmon frequency of the gold comprising the nanoparticles, was determined by modeling the composite of gold nanoparticles and metal-oxide layer as an optically homogeneous film of core-shell particles bounded by two substrates: one of quartz and the other being one of the aforementioned metals, then using a Maxwell-Garnett effective medium expression to extract ω p for the gold nanoparticles before and after coating with the bulk metals. Under illumination, the change in the charge density of the gold nanoparticles per particle determined from the change in the values of ω p is found to be some 50-fold greater than what traditional electrostatic contact electrification models compute based on the work function difference of the two conductive materials. Moreover, when using bulk gold as the capping layer, which should have resulted in a negligible charge exchange between the gold nanoparticles and the bulk gold, a significant charge transfer from the bulk gold layer to the nanoparticles was observed as with the other metals. We explain these observations in terms of the "plasmoelectric effect", recently described by Atwater and co-workers, in which the gold nanoparticles modify their charge density to allow their resonant wavelength to match that of the incident light, thereby achieving, a lower value of the chemical potential due to the entropy increase resulting from the conversion of the plasmon's energy to heat. We conclude that even the act of registering the spectrum of nanoparticles is at times sufficient to alter their charge densities and hence their UV-visible spectra.

Effect of shock pressure on the structure and superconducting properties of Y-Ba-Cu-O in explosively fabricated bulk metal-matrix composites

NASA Technical Reports Server (NTRS)

Murr, L. E.; Niou, C. S.; Pradhan-Advani, M.

1991-01-01

While it is now well established that copper-oxide-based power, or virtually any other ceramic superconductor powder, can be consolidated and encapsulated within a metal matrix by explosive consolidation, the erratic superconductivity following fabrication has posed a major problem for bulk applications. The nature of this behavior was found to arise from microstructural damage created in the shock wave front, and the residual degradation in superconductivity was demonstrated to be directly related to the peak shock pressure. The explosively fabricated or shock loaded YBa2Cu3Ox examples exhibit drastically altered rho (or R) - T curves. The deterioration in superconductivity is even more noticeable in the measurement of ac magnetic susceptibility and flux exclusion or shielding fraction which is also reduced in proportion to increasing peak shock pressure. The high frequency surface resistance (in the GHz range) is also correspondingly compromised in explosively fabricated, bulk metal-matrix composites based on YBa2Cu3O7. Transmission electron microscopy (including lattice imaging techniques) is being applied in an effort to elucidate the fundamental (microstructural) nature of the shock-induced degradation of superconductivity and normal state conductivity. One focus of TEM observations has assumed that oxygen displaced from b-chains rather than oxygen-vacancy disorder in the basal plane of oxygen deficient YBa2Cu3Ox may be a prime mechanism. Shock-wave displaced oxygen may also be locked into new positions or interstitial clusters or chemically bound to displaced metal (possibly copper) atoms to form precipitates, or such displacements may cause the equivalent of local lattice cell changes as a result of stoichiometric changes. While the shock-induced suppression of T(sub c) is not desirable in the explosive fabrication of bulk metal-matrix superconductors, it may be turned into an advantage if the atomic-scale distortion can be understood and controlled as local flux pinning sites.

Effect of shock pressure on the structure and superconducting properties of Y-Ba-Cu-O in explosively fabricated bulk metal-matrix composites

NASA Technical Reports Server (NTRS)

Murr, L. E.; Niou, C. S.; Pradhan, M.; Schoenlein, L. H.

1990-01-01

While it is now well established that copper-oxide-based powder, or virtually any other ceramic superconductor powder, can be consolidated and encapsulated within a metal matrix by explosive consolidation, the erratic superconductivity following fabrication has posed a major problem for bulk applications. The nature of this behavior was found to arise from microstructural damage created in the shock wave front, and the residual degradation in superconductivity was demonstrated to be directly related to the peak shock pressure. The explosively fabricated or shock loaded YBa2Cu3Ox examples exhibit drastically altered rho (or R) - T curves. The deterioration in superconductivity is even more noticeable in the measurement of ac magnetic susceptibility and flux exclusion or shielding fraction which is also reduced in proportion to increasing peak shock pressure. The high-frequency surface resistance (in the GHz range) is also correspondingly compromised in explosively fabricated, bulk metal-matrix composites based on YBa2Cu3O7. Transmission electron microscopy (including lattice imaging techniques) is being applied in an effort to elucidate the fundamental (microstructural) nature of the shock-induced degradation of superconductivity and normal state conductivity. One focus of TEM observations has assumed that oxygen displaced from b-chains rather than oxygen-vacancy disorder in the basal plane of oxygen deficient YBa2Cu3Ox may be a prime mechanism. Shock-wave displaced oxygen may also be locked into new positions or interstitial clusters or chemically bound to displaced metal (possibly copper) atoms to form precipitates, or such displacements may cause the equivalent of local lattice cell changes as a result of stoichiometric changes. While the shock-induced suppression of T(sub c) is not desirable in the explosive fabrication of bulk metal-matrix superconductors, it may be turned into an advantage if the atomic-scale distortion can be understood and controlled as local flux pinning sites.

Multiple internal seal right micro-electro-mechanical system vacuum package

NASA Technical Reports Server (NTRS)

Shcheglov, Kirill V. (Inventor); Wiberg, Dean V. (Inventor); Hayworth, Ken J. (Inventor); Yee, Karl Y. (Inventor); Bae, Youngsam (Inventor); Challoner, A. Dorian (Inventor); Peay, Chris S. (Inventor)

2007-01-01

A Multiple Internal Seal Ring (MISR) Micro-Electro-Mechanical System (MEMS) vacuum package that hermetically seals MEMS devices using MISR. The method bonds a capping plate having metal seal rings to a base plate having metal seal rings by wafer bonding the capping plate wafer to the base plate wafer. Bulk electrodes may be used to provide conductive paths between the seal rings on the base plate and the capping plate. All seals are made using only metal-to-metal seal rings deposited on the polished surfaces of the base plate and capping plate wafers. However, multiple electrical feed-through metal traces are provided by fabricating via holes through the capping plate for electrical connection from the outside of the package through the via-holes to the inside of the package. Each metal seal ring serves the dual purposes of hermetic sealing and providing the electrical feed-through metal trace.

Multiple internal seal ring micro-electro-mechanical system vacuum packaging method

NASA Technical Reports Server (NTRS)

Hayworth, Ken J. (Inventor); Yee, Karl Y. (Inventor); Shcheglov, Kirill V. (Inventor); Bae, Youngsam (Inventor); Wiberg, Dean V. (Inventor); Challoner, A. Dorian (Inventor); Peay, Chris S. (Inventor)

2008-01-01

A Multiple Internal Seal Ring (MISR) Micro-Electro-Mechanical System (MEMS) vacuum packaging method that hermetically seals MEMS devices using MISR. The method bonds a capping plate having metal seal rings to a base plate having metal seal rings by wafer bonding the capping plate wafer to the base plate wafer. Bulk electrodes may be used to provide conductive paths between the seal rings on the base plate and the capping plate. All seals are made using only metal-to-metal seal rings deposited on the polished surfaces of the base plate and capping plate wafers. However, multiple electrical feed-through metal traces are provided by fabricating via holes through the capping plate for electrical connection from the outside of the package through the via-holes to the inside of the package. Each metal seal ring serves the dual purposes of hermetic sealing and providing the electrical feed-through metal trace.

Structural relaxation driven increase in elastic modulus for a bulk metallic glass

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

Arora, Harpreet Singh; Aditya, Ayyagari V.; Mukherjee, Sundeep, E-mail: sundeep.mukherjee@unt.edu

2015-01-07

The change in elastic modulus as a function of temperature was investigated for a zirconium-based bulk metallic glass. High temperature nano-indentation was done over a wide temperature range from room temperature to the glass-transition. At higher temperature, there was a transition from inhomogeneous to homogeneous deformation, with a decrease in serrated flow and an increase in creep displacement. Hardness was found to decrease, whereas elastic modulus was found to increase with temperature. The increase in elastic modulus for metallic glass at higher temperature was explained by diffusive rearrangement of atoms resulting in free volume annihilation. This is in contrast tomore » elastic modulus increase with temperature for silicate glasses due to compaction of its open three dimensional coordinated structure without any atomic diffusion.« less

Microstructural development at weld interface between Zr-based glassy alloy and stainless steel by resistance microwelding

NASA Astrophysics Data System (ADS)

Fukumoto, S.; Minami, M.; Soeda, A.; Matsushima, M.; Takahashi, M.; Yokoyama, Y.; Fujimoto, K.

2012-08-01

Zr-based bulk metallic glasses are expected to be welded to conventional structural alloys. Dissimilar welding of metallic glasses to stainless steel was carried out by resistance microwelding. The metallurgical analysis of the weld interface revealed the welding mechanism. A thin reaction layer was formed between the two liquid materials. The melting of stainless steel should be limited to obtain sound joints.

The structural properties of Zr-based bulk metallic glasses subjected to high pressure torsion at different temperatures

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

Boltynjuk, E. V., E-mail: boltynjuk@gmail.com; Ubyivovk, E. V.; Kshumanev, A. M.

2016-06-17

The structural properties of a Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} bulk metallic glasses were investigated. Cylindrical rods of the Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} BMG were subjected to high pressure torsion at temperatures of 20°C and 150°C. X-ray diffraction, transmission electron microscopy were used to determine peculiarities of the modified structure. Analysis of fracture surfaces, nanohardness measurements were conducted to investigate the influence of structural changes on mechanical behavior of processed samples.

Tribological studies of a Zr-based bulk metallic glass with different states

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

Jiang, Feng; Qu, Jun; Fan, Guojiang

The tribological characteristics of a bulk-metallic glass (BMG) Zr52.5Cu17.9Ni14.6Al10.0Ti5.0 (Vit 105) with different states have been studied. Friction and wear tests were conducted using a ball-on-flat reciprocating sliding apparatus against AISI E52100 bearing steel under dry condition. The observed wear resistance in an ascending order is deformed, crept, relaxed, and as-cast. Results suggested that the wear process of BMG alloys involved abrasion, adhesion, and oxidation. The differences in hardness, free volume, and embrittlement at different states significantly affected the friction and wear behaviors of the BMG alloys.

Mechanical improvement of metal reinforcement rings for a finite ring-shaped superconducting bulk

NASA Astrophysics Data System (ADS)

Huang, Chen-Guang; Zhou, You-He

2018-03-01

As a key technique, reinforcement of type-II superconducting bulks with metal rings can efficiently improve their mechanical properties to enhance the maximum trapped field. In this paper, we study the magnetostrictive and fracture behaviors of a finite superconducting ring bulk reinforced by three typical reinforcing structures composed of metal rings during the magnetizing process by means of the minimization of magnetic energy and the finite element method. After a field-dependent critical current density is adopted, the magnetostriction, pinning-induced stress, and crack tip stress intensity factor are calculated considering the demagnetization effects. The results show that the mechanical properties of the ring bulk are strongly dependent on the reinforcing structure and the material and geometrical parameters of the metal rings. Introducing the metal ring can significantly reduce the hoop stress, and the reduction effect by internal reinforcement is much improved relative to external reinforcement. By comparison, bilateral reinforcement seems to be the best candidate structure. Only when the metal rings have particular Young's modulus and radial thickness will they contribute to improve the mechanical properties the most. In addition, if an edge crack is pre-existing in the ring bulk, the presence of metal rings can effectively avoid crack propagation since it reduces the crack tip stress intensity factor by nearly one order of magnitude.

Amorphous Metals and Composites as Mirrors and Mirror Assemblies

NASA Technical Reports Server (NTRS)

Hofmann, Douglas C. (Inventor); Davis, Gregory L. (Inventor); Agnes, Gregory S. (Inventor); Shapiro, Andrew A. (Inventor)

2016-01-01

A mirror or mirror assembly fabricated by molding, pressing, assembling, or depositing one or more bulk metal glass (BMG), bulk metal glass composite (BMGMC), or amorphous metal (AM) parts and where the optical surface and backing of the mirror can be fabricated without machining or polishing by utilizing the unique molding capabilities of this class of materials.

Bulk and edge spin transport in topological magnon insulators

NASA Astrophysics Data System (ADS)

Rückriegel, Andreas; Brataas, Arne; Duine, Rembert A.

2018-02-01

We investigate the spin transport properties of a topological magnon insulator, a magnetic insulator characterized by topologically nontrivial bulk magnon bands and protected magnon edge modes located in the bulk band gaps. Employing the Landau-Lifshitz-Gilbert phenomenology, we calculate the spin current driven through a normal metal |topological magnon insulator |normal metal heterostructure by a spin accumulation imbalance between the metals, with and without random lattice defects. We show that bulk and edge transport are characterized by different length scales. This results in a characteristic system size where the magnon transport crosses over from being bulk dominated for small systems to edge dominated for larger systems. These findings are generic and relevant for topological transport in systems of nonconserved bosons.

The influence of Sc addition on the welding microstructure of Zr-based bulk metallic glass: The stability of the amorphous phase

NASA Astrophysics Data System (ADS)

Wang, Shing Hoa; Kuo, Pei Hung; Tsang, Hsiao Tsung; Jeng, Rong Ruey; Lin, Yu Lon

2007-10-01

Pulsed direct current autogeneous tungsten inert gas arc welding was conducted on rods of bulk metallic glasses (BMGs) Zr55Cu30Ni5Al10 and (Zr55Cu30Ni5Al10)99.98Sc0.02 under two different cooling conditions. The crystalline precipitates in the fusion zone of BMG Zr55Cu30Ni5Al10 were confirmed by microfocused x-ray diffraction pattern analysis as Zr2Ni and Zr2(Cu,Al) intermetallic compounds. In contrast, BMG with Sc addition (Zr55Cu30Ni5Al10)99.98Sc0.02 shows an excellent stable glass forming ability. The fusion zone of BMG (Zr55Cu30Ni5Al10)99.98Sc0.02 remains in the same amorphous state as that of the amorphous base metal when the weld is cooled with accelerated cooling.

Bulk Fe-based metallic glass with extremely soft ferromagnetic properties

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

Shen, T. D.; Harms, U. S.; Schwarz, R. B.

2001-01-01

The authors have investigated the DC and AC magnetic properties of a bulk glassy Fe{sub 65.5}Cr{sub 4}Mo{sub 4}Ga{sub 4}P{sub 12}B{sub 5.5}C{sub 5} alloy. In the annealed state the alloy has coercivity H{sub C} and maximum DC permeability {mu}{sub m} of approximately 0.4 A/m (5 mOe) and 2.8 x 10{sup 5}, comparable to those found in annealed zero-magnetostriction Co-based alloys. The low H{sub C} found in the bulk glassy alloy is attributed to the low ratio of surface-roughness to sample thickness, and low residual internal-stress. The total power loss in the annealed bulk glass is about one order of magnitude lowermore » than that of rapidly quenched Fe-based glassy ribbons. This is attributed to a low anomalous eddy-current loss.« less

Fabrication and evaluation of low fiber content alumina fiber/aluminum composites

NASA Technical Reports Server (NTRS)

Hack, J. E.; Strempek, G. C.

1980-01-01

The mechanical fabrication of low volume percent fiber, polycrystalline alumina fiber reinforced aluminum composites was accomplished. Wire preform material was prepared by liquid-metal infiltration of alumina fiber bundles. The wires were subsequently encapsulated with aluminum foil and fabricated into bulk composite material by hot-drawing. Extensive mechanical, thermal and chemical testing was conducted on preform and bulk material to develop a process and material data base. In addition, a preliminary investigation of mechanical forming of bulk alumina fiber reinforced aluminum composite material was conducted.

Observations on the structural degradation of silver during simultaneous exposure to oxidizing and reducing environments

NASA Astrophysics Data System (ADS)

Singh, Prabhakar; Yang, Zhenguo; Viswanathan, Vish; Stevenson, Jeff W.

2004-06-01

The structural stability of silver (Ag) in dual atmosphere exposure conditions, which are representative of solid oxide fuel cell (SOFC) current collector and gas seals, has been examined in the 600 800 °C temperature range. Experiments conducted on Ag tubular sections exposed to flowing H2-3% H2O (inside the tube) and air (outside the tube) showed extensive porosity formation along the grain boundaries in the bulk metal. Similar tubular sections, when exposed to air only (both inside and outside the tube), showed no bulk porosity or structural changes. It is postulated that the porosity formation in the bulk metal is related to the formation of gaseous H2O bubbles due to simultaneous diffusion of hydrogen and oxygen followed by subsequent interaction resulting in the formation of steam. Thermochemical processes that are responsible for structural degradation are presented and discussed. Based on experimental observations, it is concluded that Ag metal may not provide adequate long-term structural stability under a dual-environment condition that is typical of interconnects or gas seals in intermediate temperature SOFCs.

Biocompatibility Study of Zirconium-Based Bulk Metallic Glasses for Orthopedic Applications

NASA Astrophysics Data System (ADS)

He, Wei; Chuang, Andrew; Cao, Zheng; Liaw, Peter K.

2010-07-01

Bulk metallic glasses (BMGs) represent an emerging class of materials that offer an attractive combination of properties, such as high strength, low modulus, good fatigue limit, and near-net-shape formability. The BMGs have been explored in mechanical, chemical, and magnetic applications. However, little research has been attracted in the biomedical field. In this work, we study the potential of BMGs for the orthopedic repair and replacement. We report the biocompatibility study of zirconium (Zr)-based solid BMGs using mouse osteoblast cells. Cell attachment, proliferation, and differentiation are compared to Ti-6Al-4V, a well-studied alloy biomaterial. Our in-vitro study has demonstrated that cells cultured on the Zr-based BMG substrate showed higher attachment, alkaline phosphatase activity, and bone matrix deposition compared to those grown on the control Ti alloy substrate. Cytotoxicity staining also revealed the remarkable viability of cells growing on the BMG substrates.

Evolution of the Valley Position in Bulk Transition-Metal Chalcogenides and Their Monolayer Limit.

PubMed

Yuan, Hongtao; Liu, Zhongkai; Xu, Gang; Zhou, Bo; Wu, Sanfeng; Dumcenco, Dumitru; Yan, Kai; Zhang, Yi; Mo, Sung-Kwan; Dudin, Pavel; Kandyba, Victor; Yablonskikh, Mikhail; Barinov, Alexei; Shen, Zhixun; Zhang, Shoucheng; Huang, Yingsheng; Xu, Xiaodong; Hussain, Zahid; Hwang, Harold Y; Cui, Yi; Chen, Yulin

2016-08-10

Layered transition metal chalcogenides with large spin orbit coupling have recently sparked much interest due to their potential applications for electronic, optoelectronic, spintronics, and valleytronics. However, most current understanding of the electronic structure near band valleys in momentum space is based on either theoretical investigations or optical measurements, leaving the detailed band structure elusive. For example, the exact position of the conduction band valley of bulk MoS2 remains controversial. Here, using angle-resolved photoemission spectroscopy with submicron spatial resolution (micro-ARPES), we systematically imaged the conduction/valence band structure evolution across representative chalcogenides MoS2, WS2, and WSe2, as well as the thickness dependent electronic structure from bulk to the monolayer limit. These results establish a solid basis to understand the underlying valley physics of these materials, and also provide a link between chalcogenide electronic band structure and their physical properties for potential valleytronics applications.

The effect of Nb addition on mechanical properties, corrosion behavior, and metal-ion release of ZrAlCuNi bulk metallic glasses in artificial body fluid.

PubMed

Qiu, C L; Liu, L; Sun, M; Zhang, S M

2005-12-15

Bulk metallic glasses (BMGs) of Zr(65 - x)Nb(x)- Cu(17.5)Ni(10)Al(7.5) with Nb = 0, 2, and 5 at % were prepared by copper mold casting. Compression tests reveal that the two BMGs containing Nb exhibited superior strength and plasticity to the base alloy. The corrosion behavior of the alloys obtained was investigated in artificial body fluid by electrochemical measurements. It was found that the addition of Nb significantly enhanced the corrosion resistance of the Zr-based BMG, as indicated by a remarkable increase in corrosion potential and pitting potential. XPS analysis revealed that the passive film formed after anodic polarization was enriched in aluminum oxide and depleted in phosphate ions for the BMGs containing Nb, which accounts for the improvement of corrosion resistance. On the other hand, metal-ion release of different BMGs were determined in PPb (ng/mL) level with inductively coupled plasma mass spectrometry (ICP-MS) after being immersed in artificial body fluid at 37 degrees C for 20 days. It was found that the addition of Nb considerably reduced the ion release of all kinds of metals of the base system. This is probably attributed to the promoting effect of Nb on a rapid formation of highly protective film.

A General Bioinspired, Metals-Based Synergic Cross-Linking Strategy toward Mechanically Enhanced Materials.

PubMed

Chen, Ke; Ding, Jin; Zhang, Shuhao; Tang, Xuke; Yue, Yonghai; Guo, Lin

2017-03-28

Creating lightweight engineering materials combining high strength and great toughness remains a significant challenge. Despite possessing-enhanced strength and stiffness, bioinspired/polymeric materials usually suffer from clearly reduced extensibility and toughness when compared to corresponding bulk polymer materials. Herein, inspired by tiny amounts of various inorganic impurities for mechanical improvement in natural materials, we present a versatile and effective metal ion (M n+ )-based synergic cross-linking (MSC) strategy incorporating eight types of metal ions into material bulks that can drastically enhance the tensile strength (∼24.1-70.8%), toughness (∼18.6-110.1%), modulus (∼21.6-66.7%), and hardness (∼6.4-176.5%) of multiple types of pristine materials (from hydrophilic to hydrophobic and from unary to binary). More importantly, we also explore the primarily elastic-plastic deformation mechanism and brittle fracture behavior (indentation strain of >5%) of the synergic cross-linked graphene oxide (Syn-GO) paper by means of in situ nanoindentation SEM. The MSC strategy for mechanically enhanced integration can be readily attributed to the formation of the complicated metals-based cross-linking/complex networks in the interfaces and intermolecules between functional groups of materials and various metal ions that give rise to efficient energy dissipation. This work suggests a promising MSC strategy for designing advanced materials with outstanding mechanical properties by adding low amounts (<1.0 wt %) of synergic metal ions serving as synergic ion-bonding cross-linkers.

Microgravity Outreach with Math Teachers

NASA Technical Reports Server (NTRS)

2000-01-01

Don Gillies, a materials scientist at NASA/Marshall Space Flight Center (MSFC), demonstrates the greater bounce to the ounce of metal made from a supercooled bulk metallic glass alloy that NASA is studying in space experiments. The metal plates at the bottom of the plexiglass tubes are made of three different types of metal. Bulk metallic glass is more resilient and, as a result, the dropped ball bearing bounces higher. Fundamental properties of this bulk metallic glass were measured in a space flight in 1997 Microgravity Science Laboratory-1 (MSL-1) mission. These properties could not have been measured on Earth and have been incorporated into recent design. This demonstration was at the April 2000 conference of the National Council of Teachers of Mathematics (NCTM) in Chicago. Photo credit: NASA/Marshall Space Flight Center (MSFC)

Trace metals in bulk precipitation and throughfall in a suburban area of Japan

NASA Astrophysics Data System (ADS)

Hou, H.; Takamatsu, T.; Koshikawa, M. K.; Hosomi, M.

Throughfall and bulk precipitation samples were collected monthly for 1.5 years over bare land and under canopies of Japanese cedar ( Cryptomeria japonica), Japanese red pine ( Pinus densiflora), Japanese cypress ( Chamaecyparis obtusa), and bamboo-leafed oak ( Quercus myrsinaefolia) in a suburban area of Japan. Samples were analyzed for dissolved Al, Mn, Fe, Cu, Zn, Ag, In, Sn, Sb and Bi by ICP-AES and ICP-MS. The metal concentrations were higher in throughfall, especially that of C. japonica, than bulk precipitation. Enrichment ratios (ERs: ratios of metal concentrations in throughfall to those in bulk precipitation) ranged from 2.5 (Zn) to 5.3 (Ag) (3.9 on average), and ERs for slightly soluble metals were generally higher than those for easily soluble metals. Concentrations of Mn, Fe, Cu, and Zn accounted for 99% of the total concentration of heavy metals in rainwater, whereas those of rare metals such as Ag, In, Sn, and Bi totaled <0.23%. Average concentrations of rare metals were 0.002 and 0.010 μg l -1 for Ag, 0.001 and 0.005 μg l -1 for In, 0.062 and 0.21 μg l -1 for Sn, and 0.006 and 0.023 μg l -1 for Bi in bulk precipitation and throughfall, respectively. The metal concentrations in rainwater were negatively correlated to the volume of rainwater, indicating that washout is the main mechanism that incorporates metals into rainwater. From the enrichment factors, that is, (X/Al) rain/(X/Al) crust, metals other than Fe were shown to be more enriched in rainwater than in the Earth's crust, including those present as a result of leaching from soil dust (Mn) and from anthropogenic sources (Cu, Zn, Ag, In, Sn, Sb, and Bi).

Continuum-Scale Modeling of Shear Banding in Bulk Metallic Glass-Matrix Composites

NASA Astrophysics Data System (ADS)

Gibbons, Michael

Metallic glasses represent a relatively new class of materials that have demonstrated enormous potential for functional and structural applications due to the unique set of properties attributed to them as a result of the disordered isotropic structure with metallically bonded elements. Amorphous metals benefit from the strong nature of the metallic bonds, but lack the crystallographic structure and polycrystalline nature of traditional metals which unsurprisingly has huge implications on the material properties, as all deformation mechanisms associated with a lattice are suppressed. This results in excellent strength, a high elastic strain limit, exceptional hardness, and improved corrosion and wear resistance. "Bulk" metallic glasses (BMG) represent the amorphous metals which can be produced at the cm length-scale, thus greatly expanding their applicability for structural applications. However, due to the catastrophic nature of the failure produced upon yielding, monolithic metallic glasses are seldomly used for structural applications. Bulk metallic glass-matrix composites (BMGMCs), however, are able to combine the excellent strength, hardness, and elastic strain limit of amorphous metallic glass with a ductile crystalline phase to achieve extraordinary toughness with minimal degradation in strength. In order to explore the mechanical interactions between the amorphous and crystalline phases, a full-field micromechanical model which couples the free-volume based constitutive behavior for the matrix phase with standard rate-dependent crystal plasticity for the dendrites, and its implementation via an elastic-viscoplastic Fast-Fourier Transform (FFT) solver. The model is calibrated to macroscale stress-strain data for Ti-Zr-V-Cu-Be BMGMCs with varying composition and furthermore by comparing the deformation behavior associated with the shear bands predicted by the model, to the artifacts observed from characterization microscopy analysis on the same failed BMGMC tensile specimens in which the macroscopic composite behavior predicted by the model was validated with. The FFT-based deformation modeling is then exercised to study the nature and origin of shear bands in metallic glass composites. Synthetic 3D microstructures were produced using images of real BMGMCs, and then subjected to uniaxial tension deformation simulations. The findings indicate that in BMGMCs, local inhomogeneities in the glass phase are less influential on the mechanical performance than the contrast in individual phase properties and the spatial distribution of the microstructure. Due to the strong contrast in mechanical properties between the phases, highly heterogeneous stress fields develop, contributing to regionally confined free-volume generation, localized flow and softening in the glass. These softened regions can link and plastic flow then rapidly localizes into a thin shear band with planar like geometry. The availability of finely resolved (spatially and temporally) 3D deformation maps allow for the determination of the mechanism corresponding with these macroscopic stick-slip oscillations apparent in the stress-strain curves. In addition to shedding light on the nature of shear banding in bulk metallic glass-matrix composites, this work also demonstrates the feasibility of using a spectral-based continuum-scale model to efficiently predict the microstructure and individual phase properties that lead to new materials, superior to those found using only experimental techniques.

DIFFUSE: a FORTRAN program for design computation of tritium transport through thermonuclear reactor components by combined ordinary and thermal diffusion when the principal resistance to diffusion is the bulk metal

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

Pendergrass, J.H.

1977-10-01

Based on the theory developed in an earlier report, a FORTRAN computer program, DIFFUSE, was written. It computes, for design purposes, rates of transport of hydrogen isotopes by temperature-dependent quasi-unidirectional, and quasi-static combined ordinary and thermal diffusion through thin, hot thermonuclear reactor components that can be represented by composites of plane, cylindrical-shell, and spherical-shell elements when the dominant resistance to transfer is that of the bulk metal. The program is described, directions for its use are given, and a listing of the program, together with sample problem results, is presented.

Bulk assembly of organic metal halide nanotubes

DOE PAGES

Lin, Haoran; Zhou, Chenkun; Tian, Yu; ...

2017-10-16

The organic metal halide hybrids welcome a new member with a one-dimensional (1D) tubular structure. Herein we report the synthesis and characterization of a single crystalline bulk assembly of organic metal halide nanotubes, (C 6H 13N 4) 3Pb 2Br 7. In a metal halide nanotube, six face-sharing metal halide dimers (Pb 2Br 9 5–) connect at the corners to form rings that extend in one dimension, of which the inside and outside surfaces are coated with protonated hexamethylenetetramine (HMTA) cations (C 6H 13N 4 +). This unique 1D tubular structure possesses highly localized electronic states with strong quantum confinement, resultingmore » in the formation of self-trapped excitons that give strongly Stokes shifted broadband yellowish-white emission with a photoluminescence quantum efficiency (PLQE) of ~7%. Finally, having realized single crystalline bulk assemblies of two-dimensional (2D) wells, 1D wires, and now 1D tubes using organic metal halide hybrids, our work significantly advances the research on bulk assemblies of quantum-confined materials.« less

129 Xe NMR Relaxation-Based Macromolecular Sensing

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

Gomes, Muller D.; Dao, Phuong; Jeong, Keunhong

2016-07-29

A 129Xe NMR relaxation-based sensing approach is reported on that exploits changes in the bulk xenon relaxation rate induced by slowed tumbling of a cryptophane-based sensor upon target binding. The amplification afforded by detection of the bulk dissolved xenon allows sensitive detection of targets. The sensor comprises a xenon-binding cryptophane cage, a target interaction element, and a metal chelating agent. Xenon associated with the target-bound cryptophane cage is rapidly relaxed and then detected after exchange with the bulk. Here we show that large macromolecular targets increase the rotational correlation time of xenon, increasing its relaxation rate. Upon binding of amore » biotin-containing sensor to avidin at 1.5 μM concentration, the free xenon T 2 is reduced by a factor of 4.« less

Crystal nucleation and glass formation in metallic alloy melts

NASA Technical Reports Server (NTRS)

Spaepen, F.

1984-01-01

Homogeneous nucleation, containerless solidification, and bulk formation of metallic glasses are discussed. Homogeneous nucleation is not a limiting factor for metallic glass formation at slow cooling rates if the reduced glass transition temperature is high enough. Such glasses can be made in bulk if heterogeneous nucleants are removed. Containerless processing eleminates potential sources of nucleants, but as drop tube experiments on the Pd-Si alloys show, the free surface may still be a very effective heterogeneous nucleant. Combination of etching and heating in vacuum or fluxing can be effective for cleaning fairly large ingots of nucleants. Reduced gravity processing has a potentially useful role in the fluxing technique, for example to keep large metallic ingots surrounded by a low density, low fluidity flux if this proved difficult under ground conditions. For systems where heterogeneous nucleants in the bulk of the ingot need gravity to segregate to the flux-metal interface, reduced gravity processing may not be appropriate for bulk glass formation.

Ignition and combustion of bulk metals under elevated, normal and reduced gravity conditions

NASA Technical Reports Server (NTRS)

Abbud-Madrid, Angel; Branch, Melvyn C.; Daily, John W.

1995-01-01

This research effort is aimed at providing further insight into this multi-variable dependent phenomena by looking at the effects of gravity on the ignition and combustion behavior of metals. Since spacecraft are subjected to higher-than-1g gravity loads during launch and reentry and to zero-gravity environments while in orbit, the study of ignition and combustion of bulk metals at different gravitational potentials is of great practical concern. From the scientific standpoint, studies conducted under microgravity conditions provide simplified boundary conditions since buoyancy is removed, and make possible the identification of fundamental ignition mechanisms. The effect of microgravity on the combustion of bulk metals has been investigated by Steinberg, et al. on a drop tower simulator. However, no detailed quantitative work has been done on ignition phenomena of bulk metals at lower or higher-than-normal gravitational fields or on the combustion characteristics of metals at elevated gravity. The primary objective of this investigation is the development of an experimental system capable of providing fundamental physical and chemical information on the ignition of bulk metals under different gravity levels. The metals used in the study, iron (Fe), titanium (Ti), zirconium (Zr), magnesium (Mg), zinc (Zn), and copper (Cu) were selected because of their importance as elements of structural metals and their simple chemical composition (pure metals instead of multi-component alloys to avoid complication in morphology and spectroscopic studies). These samples were also chosen to study the two different combustion modes experienced by metals: heterogeneous or surface oxidation, and homogeneous or gas-phase reaction. The experimental approach provides surface temperature profiles, spectroscopic measurements, surface morphology, x-ray spectrometry of metals specimens and their combustion products, and high-speed cinematography of the heating, ignition and combustion stages of the metal specimen. This paper summarizes the results obtained to date from experiments conducted under normal and high-gravity conditions.

Mechanical properties and structural features of novel Fe-based bulk metallic glasses with unprecedented plasticity

PubMed Central

Yang, Weiming; Liu, Haishun; Zhao, Yucheng; Inoue, Akihisa; Jiang, Kemin; Huo, Juntao; Ling, Haibo; Li, Qiang; Shen, Baolong

2014-01-01

Fe-based bulk metallic glasses (BMGs) have attracted great attention due to their unique magnetic and mechanical properties, but few applications have been materialized because of their brittleness at room temperature. Here we report a new Fe50Ni30P13C7 BMG which exhibits unprecedented compressive plasticity (>20%) at room temperature without final fracture. The mechanism of unprecedented plasticity for this new Fe-based BMG was also investigated. It was discovered that the ductile Fe50Ni30P13C7 BMG is composed of unique clusters mainly linked by less directional metal-metal bonds which are inclined to accommodate shear strain and absorbed energy in the front of crack tip. This conclusion was further verified by the X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy experiments of Fe80-xNixP13C7 (x = 0, 10, 20, 30) and Fe72-xNixB20Si4Nb4 (x = 0, 7.2, 14.4, 21.6, 28.8) glassy systems. The results also indicate a strong correlation between the p-d hybridization and plasticity, verifying that the transition from brittle to ductile induced by Ni addition is due to the change of bonding characteristics in atomic configurations. Thus, we can design the plasticity of Fe-based BMGs and open up a new possible pathway for manufacturing BMGs with high strength and plasticity. PMID:25167887

Piezoresistive effect in metal-semiconductor-metal structures on p-type GaN

NASA Astrophysics Data System (ADS)

Gaska, R.; Shur, M. S.; Bykhovski, A. D.; Yang, J. W.; Khan, M. A.; Kaminski, V. V.; Soloviov, S. M.

2000-06-01

We report on a strong piezoresistive effect in metal-semiconductor-metal structures fabricated on p-type GaN. The maximum measured gauge factor was 260, which is nearly two times larger than for piezoresistive silicon transducers. We attribute this large sensitivity to applied strain to the combination of two mechanisms: (i) a high piezoresistance of bulk p-GaN and (ii) a strong piezoresistive effect in a Schottky contact on p-GaN. The obtained results demonstrate that GaN-based structures can be suitable for stress/pressure sensor applications.

Photophysical characterization of fluorescent metal nanoclusters synthesized using oligonucleotides, proteins and small molecule ligands

NASA Astrophysics Data System (ADS)

Yeh, Hsin-Chih; Sharma, Jaswinder; Yoo, Hyojong; Martinez, Jennifer S.; Werner, James H.

2010-02-01

The size transition from bulk conducting metals to insulating nanoparticles and eventually to single atoms passes through the relatively unexplored few-atom nanocluster region. With dimensions close to the Fermi wavelength, these nanoclusters demonstrate molecule-like properties distinct from bulk metals or atoms, such as discrete and size-tunable electronic transitions which lead to photoluminescence. Current research aims to elucidate the fundamental photophysical properties of metal nanoclusters made by different means and based on different encapsulation agents. Here, we report the study of the photophysical properties, including quantum yields, lifetimes, extinction coefficients, blinking dynamics and sizes, of silver and gold nanoclusters synthesized using oligonucleotides, a protein (bovine serum albumin) and a Good's buffer molecule (MES, 2-(N-morpholino) ethanesulfonic acid) as encapsulation agents. We also investigate the change of photoluminescence as a function of temperature. Furthermore, we show that the fluorescent metal clusters can be used as a donor in forming a resonance energy transfer pair with a commercial organic quencher. These new fluorophores have great potential as versatile tools for a broad range of applications in biological and chemical detection.

Fracture Behavior of Zr-BASED Bulk Metallic Glass Under Impact Loading

NASA Astrophysics Data System (ADS)

Shin, Hyung-Seop; Kim, Ki-Hyun; Oh, Sang-Yeob

The fracture behavior of a Zr-based bulk amorphous metal under impact loading using subsize V-shaped Charpy specimens was investigated. Influences of loading rate on the fracture behavior of amorphous Zr-Al-Ni-Cu alloy were examined. As a result, the maximum load and absorbed fracture energy under impact loading were lower than those under quasi-static loading. A large part of the absorbed fracture energy in the Zr-based BMG was consumed in the process for crack initiation and not for crack propagation. In addition, fractographic characteristics of BMGs, especially the initiation and development of shear bands at the notch tip were investigated. Fractured surfaces under impact loading are smoother than those under quasi-static loading. The absorbed fracture energy appeared differently depending on the appearance of the shear bands developed. It can be found that the fracture energy and fracture toughness of Zr-based BMG are closely related with the extent of shear bands developed during fracture.

Preparation and magnetic properties of phthalocyanine-based carbon materials containing transition metals

NASA Astrophysics Data System (ADS)

Honda, Z.; Sato, S.; Hagiwara, M.; Kida, T.; Sakai, M.; Fukuda, T.; Kamata, N.

2016-07-01

A simple method for the preparation of bulk quantities of magnetic carbon materials, which contain uniformly dispersed transition metals (M = Fe, Co, Ni, and Cu) as the magnetic components, is presented. By using highly chlorinated metal phthalocyanine as the building block and potassium as the coupling reagent, phthalocyanine-based carbon materials (PBCMs) containing transition metals were obtained. Our experiments demonstrate the structure of these PBCMs consists of transition metals embedded in graphitic carbon that includes a square planar MN4 magnetic core and the Fe and Co-PBCM possess spontaneous magnetization at room temperature. In addition, carbon-coated transition metal particles were obtained by the Wurtz-type reaction with excess amount of potassium coupling agent. The large transition metal surface area and magnetization of these M-PBCMs are useful for spintronic and catalytic applications.

Long-term field metal extraction by Pelargonium: phytoextraction efficiency in relation to plant maturity.

PubMed

Shahid, Muhammad; Arshad, Muhammad; Kaemmerer, Michel; Pinelli, Eric; Probst, Anne; Baque, David; Pradere, Philippe; Dumat, Camille

2012-01-01

The long length of periods required for effective soil remediation via phytoextraction constitutes a weak point that reduces its industrial use. However, these calculated periods are mainly based on short-term and/or hydroponic controlled experiments. Moreover, only a few studies concern more than one metal, although soils are scarcely polluted by only one element. In this scientific context, the phytoextraction of metals and metalloids (Pb, Cd, Zn, Cu, and As) by Pelargonium was measured after a long-term field experiment. Both bulk and rhizosphere soils were analyzed in order to determine the mechanisms involved in soil-root transfer. First, a strong increase in lead phytoextraction was observed with plant maturity, significantly reducing the length of the period required for remediation. Rhizosphere Pb, Zn, Cu, Cd, and As accumulation was observed (compared to bulk soil), indicating metal mobilization by the plant, perhaps in relation to root activity. Moreover, metal phytoextraction and translocation were found to be a function of the metals' nature. These results, taken altogether, suggest that Pelargonium could be used as a multi-metal hyperaccumulator under multi-metal soil contamination conditions, and they also provide an interesting insight for improving field phytoextraction remediation in terms of the length of time required, promoting this biological technique.

Unified computational model of transport in metal-insulating oxide-metal systems

NASA Astrophysics Data System (ADS)

Tierney, B. D.; Hjalmarson, H. P.; Jacobs-Gedrim, R. B.; Agarwal, Sapan; James, C. D.; Marinella, M. J.

2018-04-01

A unified physics-based model of electron transport in metal-insulator-metal (MIM) systems is presented. In this model, transport through metal-oxide interfaces occurs by electron tunneling between the metal electrodes and oxide defect states. Transport in the oxide bulk is dominated by hopping, modeled as a series of tunneling events that alter the electron occupancy of defect states. Electron transport in the oxide conduction band is treated by the drift-diffusion formalism and defect chemistry reactions link all the various transport mechanisms. It is shown that the current-limiting effect of the interface band offsets is a function of the defect vacancy concentration. These results provide insight into the underlying physical mechanisms of leakage currents in oxide-based capacitors and steady-state electron transport in resistive random access memory (ReRAM) MIM devices. Finally, an explanation of ReRAM bipolar switching behavior based on these results is proposed.

Superior Tensile Ductility in Bulk Metallic Glass with Gradient Amorphous Structure

PubMed Central

Wang, Q.; Yang, Y.; Jiang, H.; Liu, C. T.; Ruan, H. H.; Lu, J.

2014-01-01

Over centuries, structural glasses have been deemed as a strong yet inherently ‘brittle’ material due to their lack of tensile ductility. However, here we report bulk metallic glasses exhibiting both a high strength of ~2 GPa and an unprecedented tensile elongation of 2–4% at room temperature. Our experiments have demonstrated that intense structural evolution can be triggered in theses glasses by the carefully controlled surface mechanical attrition treatment, leading to the formation of gradient amorphous microstructures across the sample thickness. As a result, the engineered amorphous microstructures effectively promote multiple shear banding while delay cavitation in the bulk metallic glass, thus resulting in superior tensile ductility. The outcome of our research uncovers an unusual work-hardening mechanism in monolithic bulk metallic glasses and demonstrates a promising yet low-cost strategy suitable for producing large-sized, ultra-strong and stretchable structural glasses. PMID:24755683

Polyamorphism in Yb-based metallic glass induced by pressure

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

Li, Liangliang; Luo, Qiang; Li, Renfeng

2017-04-25

The Yb 62.5Zn 15Mg 17.5Cu 5 metallic glass is investigated using synchrotron x-ray total scattering method up to 38.4 GPa. The polyamorphic transformation from low density to high density with a transition region between 14.1 and 25.2 GPa is observed, accompanying with a volume collapse reflected by a discontinuousness of isothermal bulk modulus. This collapse is caused by that distortional icosahedron short range order precedes to perfect icosahedron, which might link to Yb 4f electron delocalization upon compression, and match the result of in situ electrical resistance measurement under high pressure conditions. Furthermore, this discovery in Yb-based metallic glass, combinedmore » with the previous reports on other metallic glass systems, demonstrates that pressure induced polyamorphism is the general behavior for typical lanthanide based metallic glasses.« less

A combined arc-melting and tilt-casting furnace for the manufacture of high-purity bulk metallic glass materials.

PubMed

Soinila, E; Pihlajamäki, T; Bossuyt, S; Hänninen, H

2011-07-01

An arc-melting furnace which includes a tilt-casting facility was designed and built, for the purpose of producing bulk metallic glass specimens. Tilt-casting was chosen because reportedly, in combination with high-purity processing, it produces the best fatigue endurance in Zr-based bulk metallic glasses. Incorporating the alloying and casting facilities in a single piece of equipment reduces the amount of laboratory space and capital investment needed. Eliminating the sample transfer step from the production process also saves time and reduces sample contamination. This is important because the glass forming ability in many alloy systems, such as Zr-based glass-forming alloys, deteriorates rapidly with increasing oxygen content of the specimen. The challenge was to create a versatile instrument, in which high purity conditions can be maintained throughout the process, even when melting alloys with high affinity for oxygen. Therefore, the design provides a high-vacuum chamber to be filled with a low-oxygen inert atmosphere, and takes special care to keep the system hermetically sealed throughout the process. In particular, movements of the arc-melting electrode and sample manipulator arm are accommodated by deformable metal bellows, rather than sliding O-ring seals, and the whole furnace is tilted for tilt-casting. This performance of the furnace is demonstrated by alloying and casting Zr(55)Cu(30)Al(10)Ni(5) directly into rods up to ø 10 mm which are verified to be amorphous by x-ray diffraction and differential scanning calorimetry, and to exhibit locally ductile fracture at liquid nitrogen temperature.

On the origin of bulk glass forming ability in Cu-Hf, Zr alloys

NASA Astrophysics Data System (ADS)

Ristić, Ramir; Zadro, Krešo; Pajić, Damir; Figueroa, Ignacio A.; Babić, Emil

2016-04-01

Understanding the formation of bulk metallic glasses (BMG) in metallic systems and finding a reliable criterion for selection of BMG compositions are among the most important issues in condensed-matter physics and material science. Using the results of magnetic susceptibility measurements performed on both amorphous and crystallized Cu-Hf alloys (30-70 at% Cu) we find a correlation between the difference in magnetic susceptibilities of corresponding glassy and crystalline alloys and the variation in the glass forming ability (GFA) in these alloys. Since the same correlation can be inferred from data for the properties associated with the electronic structure of Cu-Zr alloys, it seems quite general and may apply to other glassy alloys based on early and late transition metals. This correlation is plausible from the free-energy considerations and provides a simple way to select the compositions with high GFA.

Influence of the Ag concentration on the medium-range order in a CuZrAlAg bulk metallic glass

DOE PAGES

Gammer, C.; Escher, B.; Ebner, C.; ...

2017-03-21

Fluctuation electron microscopy of bulk metallic glasses of CuZrAl(Ag) demonstrates that medium-range order is sensitive to minor compositional changes. Furthermore, by analyzing nanodiffraction patterns medium-range order is detected with crystal-like motifs based on the B2 CuZr structure and its distorted structures resembling the martensitic ones. This result thus demonstrates some structural homology between the metallic glass and its high temperature crystalline phase. The amount of medium-range order seems slightly affected with increasing Ag concentration (0, 2, 5 at.%) but the structural motifs of the medium-range ordered clusters become more diverse at the highest Ag concentration. The decrease of dominant clustersmore » is consistent with the destabilization of the B2 structure measured by calorimetry and accounts for the increased glass-forming ability.« less

Influence of the Ag concentration on the medium-range order in a CuZrAlAg bulk metallic glass

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

Gammer, C.; Escher, B.; Ebner, C.

Fluctuation electron microscopy of bulk metallic glasses of CuZrAl(Ag) demonstrates that medium-range order is sensitive to minor compositional changes. Furthermore, by analyzing nanodiffraction patterns medium-range order is detected with crystal-like motifs based on the B2 CuZr structure and its distorted structures resembling the martensitic ones. This result thus demonstrates some structural homology between the metallic glass and its high temperature crystalline phase. The amount of medium-range order seems slightly affected with increasing Ag concentration (0, 2, 5 at.%) but the structural motifs of the medium-range ordered clusters become more diverse at the highest Ag concentration. The decrease of dominant clustersmore » is consistent with the destabilization of the B2 structure measured by calorimetry and accounts for the increased glass-forming ability.« less

A predictive structural model for bulk metallic glasses

PubMed Central

Laws, K. J.; Miracle, D. B.; Ferry, M.

2015-01-01

Great progress has been made in understanding the atomic structure of metallic glasses, but there is still no clear connection between atomic structure and glass-forming ability. Here we give new insights into perhaps the most important question in the field of amorphous metals: how can glass-forming ability be predicted from atomic structure? We give a new approach to modelling metallic glass atomic structures by solving three long-standing problems: we discover a new family of structural defects that discourage glass formation; we impose efficient local packing around all atoms simultaneously; and we enforce structural self-consistency. Fewer than a dozen binary structures satisfy these constraints, but extra degrees of freedom in structures with three or more different atom sizes significantly expand the number of relatively stable, ‘bulk' metallic glasses. The present work gives a new approach towards achieving the long-sought goal of a predictive capability for bulk metallic glasses. PMID:26370667

Coincidence of collective relaxation anomaly and specific heat peak in a bulk metallic glass-forming liquid

DOE PAGES

Jaiswal, Abhishek; Podlesynak, Andrey; Ehlers, Georg; ...

2015-07-21

The study of multicomponent metallic liquids' relaxational behavior is still the key to understanding and improving the glass-forming abilities of bulk metallic glasses. Here, we report measurements of the collective relaxation times in a melted bulk metallic glass (LM601Zr 51Cu 36Ni 4Al 9) in the kinetic regime (Q: 1.5–4.0Å –1) using quasielastic neutron scattering. The results reveal an unusual slope change in the Angell plots of this metallic liquid's collective relaxation time around 950°C, beyond the material's melting point. Measurement of specific heat capacity also reveals a peak around the same temperature. Adams-Gibbs theory is used to rationalize the coincidence,more » which motivates more careful experimental and computational studies of the metallic liquids in the future.« less

Numerical investigation of narrowband infrared absorber and sensor based on dielectric-metal metasurface.

PubMed

Lu, Xiaoyuan; Zhang, Tongyi; Wan, Rengang; Xu, Yongtao; Zhao, Changhong; Guo, Sheng

2018-04-16

Metasurfaces are investigated intensively for biophotonics applications due to their resonant wavelength flexibly tuned in the near infrared region specially matching biological tissues. Here, we present numerically a metasurface structure combining dielectric resonance with surface plasmon mode of a metal plane, which is a perfect absorber with a narrow linewidth 10 nm wide and quality factor 120 in the near infrared regime. As a sensor, its bulk sensitivity and bulk figure of merit reach respectively 840 nm/RIU and 84/RIU, while its surface sensitivity and surface figure of merit are respectively 1 and 0.1/nm. For different types of adsorbate layers with the same thickness of 8 nm, its surface sensitivity and figure of merit are respectively 32.3 and 3.2/RIU. The enhanced electric field is concentrated on top of dielectric patch ends and in the patch ends simultaneously. Results show that the presented structure has high surface (and bulk) sensing capability in sensing applications due to its narrow linewidth and deep modulation depth. This could pave a new route toward dielectric-metal metasurface in biosensing applications, such as early disease detections and designs of neural stem cell sensing platforms.

Effect of cooling rates on the structure, density and micro-indentation behavior of the Fe, Co-based bulk metallic glass

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

Lesz, Sabina, E-mail: sabina.lesz@polsl.pl

The experiments demonstrate that ductility of the samples of bulk metallic glass (BMG) with the same chemical composition increased with decreasing sample size. It is shown that microhardness and density increases with decreasing the cooling rate. The fracture morphology of rods after compressive fracture were different on the cross section. Two characteristic features of the compressive fracture morphologies of metallic glasses (MGs) were observed in samples: smooth region and the vein pattern. Many parallel shear bands were observed on the deformed specimen with ϕ = 2 mm in diameter. The results provide more understanding on the relationship among the coolingmore » rate, structure and micro-indentation behavior of the Fe-Co-based BMGs. - Highlights: •Fracture morphology and micro-indentation behavior is studied. •The smaller BMG sample exhibits the larger plasticity. •Microhardness and density increase with decreasing the cooling rate. •Formation of shear bands has been reported in deformed specimens. •Structure and mechanical properties of BMGs can be controlled by the cooling rate.« less

Effect of MoSi2 Content on Dry Sliding Tribological Properties of Zr-Based Bulk Metallic Glass Composites

NASA Astrophysics Data System (ADS)

Liu, Longfei; Yang, Jun

2017-12-01

Zr55Cu30Al10Ni5 bulk metallic glass and its composites were prepared by suction casting into a copper mold. The effect of MoSi2 content on the tribological behavior of Zr55Cu30Al10Ni5 BMG was studied by using a high-speed reciprocating friction and wear tester. The results indicate that the friction coefficient and wear resistance of the BMGs can be improved by a certain amount of crystalline phase induced by MoSi2 content from 1 to 3% and deteriorated with MoSi2 content of 4%. The wear mechanism of both the metallic glass and its composite is abrasive wear. The mechanism of crystalline phase-dependent tribological properties of the composite was discussed based on the wear track and mechanical properties in the present work. The wear behavior of Zr55Cu30Al10Ni5 BMG and its composite indicates that a good combination of the toughness and the hardness can make the composite be well wear resistant.

Origin of anomalous inverse notch effect in bulk metallic glasses

NASA Astrophysics Data System (ADS)

Pan, J.; Zhou, H. F.; Wang, Z. T.; Li, Y.; Gao, H. J.

2015-11-01

Understanding notch-related failure is crucial for the design of reliable engineering structures. However, substantial controversies exist in the literature on the notch effect in bulk metallic glasses (BMGs), and the underlying physical mechanism responsible for the apparent confusion is still poorly understood. Here we investigate the physical origin of an inverse notch effect in a Zr-based metallic glass, where the tensile strength of the material is dramatically enhanced, rather than decreased (as expected from the stress concentration point of view), by introduction of a notch. Our experiments and molecular dynamics simulations show that the seemingly anomalous inverse notch effect is in fact caused by a transition in failure mechanism from shear banding at the notch tip to cavitation and void coalescence. Based on our theoretical analysis, the transition occurs as the stress triaxiality in the notched sample exceeds a material-dependent threshold value. Our results fill the gap in the current understanding of BMG strength and failure mechanism by resolving the conflicts on notch effects and may inspire re-interpretation of previous reports on BMG fracture toughness where pre-existing notches were routinely adopted.

Mechanically durable underwater superoleophobic surfaces based on hydrophilic bulk metals for oil/water separation

NASA Astrophysics Data System (ADS)

Yu, Huadong; Lian, Zhongxu; Xu, Jinkai; Wan, Yanling; Wang, Zuobin; Li, Yiquan; Yu, Zhanjiang; Weng, Zhankun

2018-04-01

Despite the success of previous methods for fabricating underwater superoleophobic surfaces, most of the surfaces based on soft materials are prone to collapse and deformation due to their mechanically fragile nature, and they fail to perform their designed functions after the surface materials are damaged in water. In this work, the nanosecond laser-induced oxide coatings on hydrophilic bulk metals are reported which overcomes the limitation and shows the robust underwater superoleophobicity to a mechanical challenge encountered by surfaces deployed in water environment. The results show that the surface materials have the advantage that the underwater superoleophobicity is still preserved after the surfaces are scratched by knife or sandpaper and even completely destroyed because of the hydrophilic property of damaged materials in water. It is important that the results provide a guide for the design of durable underwater superoleophobic surfaces, and the development of superoleophobic materials in many potential applications such as the oil-repellent and the oil/water separation. Additionally, the nanosecond laser technology is simple, cost-effective and suitable for the large-area and mass fabrication of mechanically durable underwater superoleophobic metal materials.

Kinetic analysis of the non-isothermal crystallization process, magnetic and mechanical properties of FeCoBSiNb and FeCoBSiNbCu bulk metallic glasses

NASA Astrophysics Data System (ADS)

Ramasamy, Parthiban; Stoica, Mihai; Taghvaei, A. H.; Prashanth, K. G.; Ravi Kumar, Eckert, Jürgen

2016-02-01

The crystallization kinetics of [(Fe0.5Co0.5)0.75B0.2Si0.05]96Nb4 and {[(Fe0.5Co0.5)0.75B0.2Si0.05]0.96Nb0.04}99.5Cu0.5 bulk metallic glasses were evaluated using differential scanning calorimetry under non-isothermal condition. The fully glassy rods with diameters up to 2 mm were obtained by copper mold injection casting. Both glasses show good thermal stability, but the addition of only 0.5% Cu completely changes the crystallization behavior. The average activation energy required for crystallization decreases from 645 kJ/mol to 425 kJ/mol after Cu addition. Upon heating, the Cu-free alloy forms only the metastable Fe23B6 phase. In contrast, two well-separated exothermic events are observed for the Cu-added bulk glassy samples. First, the (Fe,Co) phase nucleates and then (Fe,Co)2B and/or (Fe,Co)3B crystallize from the remaining glassy matrix. The Cu-added alloy exhibits a lower coercivity and a higher magnetic saturation than the base alloy, both in as-cast as well as in annealed condition. Besides, the Cu-added glassy sample with 2 mm diameter exhibits a maximum compressive fracture strength of 3913 MPa together with a plastic strain of 0.6%, which is highest plastic strain ever reported for 2 mm diameter ferromagnetic bulk metallic glass sample. Although Cu addition improves the magnetic and mechanical properties of the glass, it affects the glass-forming ability of the base alloy.

Influence of tool speeds on dissimilar friction stir spot welding characteristics of bulk metallic glass/Mg alloy

NASA Astrophysics Data System (ADS)

Shin, Hyung-Seop; Jung, Yoon-Chul; Lee, Jin-Kyu

2012-08-01

A small-scale joining technique of dissimilar friction stir spot welding (FSSW) between bulk metallic glass and Mg alloy sheet has been tried using an apparatus which was devised with a CNC milling machine to give a precise control of tool speeds. The influence of tool speeds on the joining characteristics during FSSW was investigated. As a result, it was found that the rotation speed and plunge speed of a tool during FSSW significantly influenced the welding performance of dissimilar FSSW between bulk metallic glasses and Mg alloy.

Efficiency and Accuracy in Thermal Simulation of Powder Bed Fusion of Bulk Metallic Glass

NASA Astrophysics Data System (ADS)

Lindwall, J.; Malmelöv, A.; Lundbäck, A.; Lindgren, L.-E.

2018-05-01

Additive manufacturing by powder bed fusion processes can be utilized to create bulk metallic glass as the process yields considerably high cooling rates. However, there is a risk that reheated material set in layers may become devitrified, i.e., crystallize. Therefore, it is advantageous to simulate the process to fully comprehend it and design it to avoid the aforementioned risk. However, a detailed simulation is computationally demanding. It is necessary to increase the computational speed while maintaining accuracy of the computed temperature field in critical regions. The current study evaluates a few approaches based on temporal reduction to achieve this. It is found that the evaluated approaches save a lot of time and accurately predict the temperature history.

Temperature rise and flow of Zr-based bulk metallic glasses under high shearing stress

NASA Astrophysics Data System (ADS)

Zhang, Weiguo; Ma, Mingzhen; Song, Aijun; Liang, Shunxing; Hao, Qiuhong; Tan, Chunlin; Jing, Qin; Liu, Riping

2011-11-01

Deformation of the bulk metallic glasses (BMGs) and the creation and propagation of the shear bands are closely interconnected. Shearing force was loaded on Zr41.2Ti13.8Cu12.5Ni10.0Be22.5(Vit.1) BMGs by cutting during the turning of the BMG rod. The temperature rise of alloy on the shear bands was calculated and the result showed that it could reach the temperature of the super-cooled liquid zone or exceed the melting point. The temperature rise caused viscous fluid flow and brought about the deformation of BMGs. This suggested that the deformation of BMGs was derived, at least to some extent, from the adiabatic shear temperature rise.

Atomically dispersed metal sites in MOF-based materials for electrocatalytic and photocatalytic energy conversion.

PubMed

Liang, Zibin; Qu, Chong; Xia, Dingguo; Zou, Ruqiang; Xu, Qiang

2018-02-19

Metal sites play an essential role for both electrocatalytic and photocatalytic energy conversion applications. The highly ordered arrangements of the organic linkers and metal nodes and the well-defined pore structures of metal-organic frameworks (MOFs) make them ideal substrates to support atomically dispersed metal sites (ADMSs) located in their metal nodes, linkers, and pores. Besides, porous carbon materials doped with ADMSs can be derived from these ADMS-incorporated MOF precursors through controlled treatments. These ADMSs incorporated in pristine MOFs and MOF-derived carbon materials possess unique merits over the molecular or the bulk metal-based catalysts, bridging the gap between homogeneous and heterogeneous catalysts for energy conversion applications. In this review, recent progress and perspective of design and incorporation of ADMSs in pristine MOFs and MOF-derived materials for energy conversion applications are highlighted, which will hopefully promote further developments of advanced MOF-based catalysts in foreseeable future. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

40 CFR 761.340 - Applicability.

Code of Federal Regulations, 2011 CFR

2011-07-01

... leaching characteristics for storage or disposal. (a) Existing accumulations of non-liquid, non-metal PCB bulk product waste. (b) Non-liquid, non-metal PCB bulk product waste from processes that continuously generate new waste. (c) Non-liquid PCB remediation waste from processes that continuously generate new...

Quantum dot impregnated-chitosan film for heavy metal ion sensing and removal.

PubMed

Jaiswal, Amit; Ghsoh, Siddhartha Sankar; Chattopadhyay, Arun

2012-11-06

We report the use of biopolymer-stabilized ZnS quantum dots (Q-dots) for cation exchange reaction-based easy sensing and removal of heavy metal ions such as Hg(2+), Ag(+), and Pb(2+) in water. Chitosan-stabilized ZnS Q-dots were synthesized in aqueous medium and were observed to have been converted to HgS, Ag(2)S, and PbS Q-dots in the presence of corresponding ions. The transformed Q-dots showed characteristic color development, with Hg(2+) being exceptionally identifiable due to the visible bright yellow color formation, while brown coloration was observed in other metal ions. The cation exchange was driven by the difference in the solubility product of the reactant and the product Q-dots. The cation exchanged Q-dots preserved the morphology of the reactant Q-dots and displayed volume increase based on the bulk crystal lattice parameters. The band gap of the transformed Q-dots showed a major increase from the corresponding bulk band gap of the material, demonstrating the role of quantum confinement. Next, we fabricated ZnS Q-dot impregnated chitosan film which was used to remove heavy metal ions from contaminated water as measured using atomic absorption spectroscopy (AAS). The present system could suitably be used as a simple dipstick for elimination of heavy metal ion contamination in water.

Friction and surface chemistry of some ferrous-base metallic glasses

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1982-01-01

The friction properties of some ferrous-base metallic glasses were measured both in argon and in vacuum to a temperature of 350 C. The alloy surfaces were also analyzed with X-ray photoelectron spectroscopy to identify the compounds and elements present on the surface. The results of the investigation indicate that even when the surfaces of the amorphous alloys, or metallic glasses, are atomically clean, bulk contaminants such as boric oxide and silicon dioxide diffuse to the surfaces. Friction measurements in both argon and vacuum indicate that the alloys exhibit higher coefficients of friction in the crystalline state than they do in the amorphous state.

Ultra-stiff metallic glasses through bond energy density design.

PubMed

Schnabel, Volker; Köhler, Mathias; Music, Denis; Bednarcik, Jozef; Clegg, William J; Raabe, Dierk; Schneider, Jochen M

2017-07-05

The elastic properties of crystalline metals scale with their valence electron density. Similar observations have been made for metallic glasses. However, for metallic glasses where covalent bonding predominates, such as metalloid metallic glasses, this relationship appears to break down. At present, the reasons for this are not understood. Using high energy x-ray diffraction analysis of melt spun and thin film metallic glasses combined with density functional theory based molecular dynamics simulations, we show that the physical origin of the ultrahigh stiffness in both metalloid and non-metalloid metallic glasses is best understood in terms of the bond energy density. Using the bond energy density as novel materials design criterion for ultra-stiff metallic glasses, we are able to predict a Co 33.0 Ta 3.5 B 63.5 short range ordered material by density functional theory based molecular dynamics simulations with a high bond energy density of 0.94 eV Å -3 and a bulk modulus of 263 GPa, which is 17% greater than the stiffest Co-B based metallic glasses reported in literature.

Topological Optimization of Artificial Microstructure Strategies

DTIC Science & Technology

2015-04-02

a 3D microstructural architecture structure made from bulk metallic glass , 3DMGS, exhibiting a combination of ceramic-like high strength (>1000 MPa...Research Triangle Park, NC 27709-2211 materials, cellular structures, metallic glass REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S...demonstrate a 3D microstructural architecture structure made from bulk metallic glass , 3DMGS, exhibiting a combination of ceramic-like high strength

Low temperature reduction of free-standing graphene oxide papers with metal iodides for ultrahigh bulk conductivity.

PubMed

Liu, Chenyang; Hao, Feng; Zhao, Xiaochong; Zhao, Qiancheng; Luo, Songping; Lin, Hong

2014-02-05

Here we report a green and facile route for highly efficient reduction of free-standing graphene oxide (GO) papers with metal iodide aqueous solutions at low cost. The metal iodides (MgI2, AlI3, ZnI2, FeI2) were synthesized directly from metal and iodine powder with water as a catalyzer. An extremely high bulk conductivity of 55088 S/m for reduced graphene oxide (rGO) papers were obtained with FeI2 solution of which pH = 0 at 95°C for 6 hours. The catalytic effect of strong Lewis acid for the promotion of the nucleophilic substitution reaction is responsible for the greatly improved bulk conductivity. Furthermore, it was found that the layer-to-layer distance (dL) and the crystallinity of the rGO papers are regarded as two main factors affecting the bulk conductivity rather than C/O ratio and defect concentration.

A study of ignition phenomena of bulk metals by radiant heating

NASA Technical Reports Server (NTRS)

Branch, Melvin C.; Abbud-Madrid, A.; Feiereisen, T. J.; Daily, J. W.

1993-01-01

Early research on combustion of metals was motivated by the knowledge of the large heat release and corresponding high temperatures associated with metal-oxygen reactions. The advent of space flight brought about an increased interest in the ignition and combustion of metallic particles as additives in solid rocket propellants. More recently, attention has been given to the flammability properties of bulk, structural metals due to the number of accidental explosions of metal components in high-pressure oxygen systems. The following work represents a preliminary study that is part of a broader research effort aimed at providing further insight into the phenomena of bulk metal combustion by looking at the effects of gravity on the ignition behavior of metals. The scope of this preliminary experimental study includes the use of a non-coherent, continuous radiation ignition source, the measurement of temperature profiles of a variety of metals and a qualitative observation of the ignition phenomena at normal gravity. The specific objectives of the investigation include: (1) a feasibility study of the use of a continuous radiation source for metal ignition; (2) testing and characterization of the ignition behavior of a variety of metals; and (3) building a preliminary experimental database on ignition of metals under normal gravity conditions.

Single crystalline thin films as a novel class of electrocatalysts

DOE PAGES

Snyder, Joshua; Markovic, Nenad; Stamenkovic, Vojislav

2013-01-01

The ubiquitous use of single crystal metal electrodes has garnered invaluable insight into the relationship between surface atomic structure and functional electrochemical properties. But, the sensitivity of their electrochemical response to surface orientation and the amount of precious metal required can limit their use. We present here a generally applicable procedure for producing thin metal films with a large proportion of atomically flat (111) terraces without the use of an epitaxial template. Thermal annealing in a controlled atmosphere induces long-range ordering of magnetron sputtered thin metal films deposited on an amorphous substrate. The ordering transition in these thin metal filmsmore » yields characteristic (111) electrochemical signatures with minimal amount of material and provides an adequate replacement for oriented bulk single crystals. Our procedure can be generalized towards a novel class of practical multimetallic thin film based electrocatalysts with tunable near-surface compositional profile and morphology. Annealing of atomically corrugated sputtered thin film Pt-alloy catalysts yields an atomically smooth structure with highly crystalline, (111)-like ordered and Pt segregated surface that displays superior functional properties, bridging the gap between extended/bulk surfaces and nanoscale systems.« less

Optimising the visibility of graphene and graphene oxide on gold with multilayer heterostructures

NASA Astrophysics Data System (ADS)

Velický, Matěj; Hendren, William R.; Donnelly, Gavin E.; Katzen, Joel M.; Bowman, Robert M.; Huang, Fumin

2018-07-01

Metals have been increasingly used as substrates in devices based on two-dimensional (2D) materials. However, the high reflectivity of bulk metals results in low optical contrast (<3%) and therefore poor visibility of transparent mono- and few-layer 2D materials on these surfaces. Here we demonstrate that by engineering the complex reflectivity of a purpose-designed multilayer heterostructure composed of thin Au films (2–8 nm) on SiO2/Si substrate, the optical contrast of graphene and graphene oxide (GO) can be significantly enhanced in comparison to bulk Au, up to about 3 and 5 times, respectively. In particular, we achieved ∼17% optical contrast for monolayer GO, which is even 2 times higher than that on bare SiO2/Si substrate. The experimental results are in good agreement with theoretical simulations. This concept is demonstrated for Au, but the methodology is applicable to other metals and can be adopted to design a variety of high-contrast metallic substrates. This will facilitate research and applications of 2D materials in areas such as plasmonics, photonics, catalysis and sensors.

Stellar ages and masses in the solar neighbourhood: Bayesian analysis using spectroscopy and Gaia DR1 parallaxes

NASA Astrophysics Data System (ADS)

Lin, Jane; Dotter, Aaron; Ting, Yuan-Sen; Asplund, Martin

2018-07-01

We present a Bayesian implementation of isochrone fitting in deriving stellar ages and masses, incorporating absolute K magnitude (M_K) derived from 2MASS photometry and Gaia DR1 parallax and differentiation between initial bulk metallicity and present-day surface metallicity, with allowance for incorporating further constraints (e.g. asteroseismology) when available. As a test, we re-computed stellar ages and masses of ˜4000 stars in the solar neighbourhood from six well-studied literature samples using both Hipparcos and TGAS parallaxes. Our ages are found to be compatible with literature values but with reduced uncertainties in general. The inclusion of parallax-based M_K serves as an additional constraint on the derived quantities, especially when systematic errors in stellar parameters are underestimated. We reconstructed the age-metallicity relationship in the solar neighbourhood by re-analysing the Geneva-Copenhagen Survey with the inclusion of TGAS-parallaxes and initial bulk metallicity sampling. We found a flat trend for disc stars with ages <11 Gyr but with smaller scatter at all ages compared to literature.

Optimising the visibility of graphene and graphene oxide on gold with multilayer heterostructures.

PubMed

Velický, Matěj; Hendren, William R; Donnelly, Gavin E; Katzen, Joel M; Bowman, Robert M; Huang, Fumin

2018-07-06

Metals have been increasingly used as substrates in devices based on two-dimensional (2D) materials. However, the high reflectivity of bulk metals results in low optical contrast (<3%) and therefore poor visibility of transparent mono- and few-layer 2D materials on these surfaces. Here we demonstrate that by engineering the complex reflectivity of a purpose-designed multilayer heterostructure composed of thin Au films (2-8 nm) on SiO 2 /Si substrate, the optical contrast of graphene and graphene oxide (GO) can be significantly enhanced in comparison to bulk Au, up to about 3 and 5 times, respectively. In particular, we achieved ∼17% optical contrast for monolayer GO, which is even 2 times higher than that on bare SiO 2 /Si substrate. The experimental results are in good agreement with theoretical simulations. This concept is demonstrated for Au, but the methodology is applicable to other metals and can be adopted to design a variety of high-contrast metallic substrates. This will facilitate research and applications of 2D materials in areas such as plasmonics, photonics, catalysis and sensors.

SELDI-TOF MS-based discovery of a biomarker in Cucumis sativus seeds exposed to CuO nanoparticles.

PubMed

Moon, Young-Sun; Park, Eun-Sil; Kim, Tae-Oh; Lee, Hoi-Seon; Lee, Sung-Eun

2014-11-01

Metal oxide nanoparticles (NPs) can inhibit plant seed germination and root elongation via the release of metal ions. In the present study, two acute phytotoxicity tests, seed germination and root elongation tests, were conducted on cucumber seeds (Cucumis sativus) treated with bulk copper oxide (CuO) and CuO NPs. Two concentrations of bulk CuO and CuO NPs, 200 and 600ppm, were used to test the inhibition rate of root germination; both concentrations of bulk CuO weakly inhibited seed germination, whereas CuO NPs significantly inhibited germination, showing a low germination rate of 23.3% at 600ppm. Root elongation tests demonstrated that CuO NPs were much stronger inhibitors than bulk CuO. SELDI-TOF MS analysis showed that 34 proteins were differentially expressed in cucumber seeds after exposure to CuO NPs, with the expression patterns of at least 9 proteins highly differing from those in seeds treated with bulk CuO and in control plants. Therefore, these 9 proteins were used to identify CuO NP-specific biomarkers in cucumber plants exposed to CuO NPs. A 5977-m/z protein was the most distinguishable biomarker for determining phytotoxicity by CuO NPs. Principal component analysis (PCA) of the SELDI-TOF MS results showed variability in the modes of inhibitory action on cucumber seeds and roots. To our knowledge, this is the first study to demonstrate that the phytotoxic effect of metal oxide NPs on plants is not caused by the same mode of action as other toxins. Copyright © 2014 Elsevier B.V. All rights reserved.

Controlling mechanisms of metals release form cement-based waste form in acetic acid solution

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

Cheng, Kuang Ye.

1991-01-01

The purpose of this dissertation is to identify the individual leaching mechanisms of metals by knowing the pH profile within the leached specimen and the physical and chemical properties of the leached material. Leaching of cement-based waste form in acetic acid solutions with different acidic strengths has been investigated in this work. The pH profile along the acid penetration route in the cement-based waste form was identified by various pH color indicators. The pH in the surface altered layer varies from 5.0 to 6.0, which is very close to the pH in the bulk leachate. A reacting zone, where themore » pH abruptly changes from 6 to 12, sharply divides the altered surface layer from the remaining unleached waste form or kernel. Leaching of metals is controlled by the acidity available in the leachant. Dissolution of alkaline materials leaves a silica-rich layer on the surface of the cement-based waste form. This surface layer exhibits different properties than those of the unleached material. The surface layer has a higher water content, is lighter weight, and is soft and friable. Furthermore, the abundant silicate content on the solid surface detains portion of the leached metals, while they are moving through the leached layer into bulk solution. The leaching of metals is a consequence of acid penetration. The distance from the solid/solution interface to the front of the leaching boundary can be regarded as the depth of leaching zone, where the metals dissolve and diffuse out of the waste form. The metal ions diffuse through the leached layer may be retarded on the solid surface by the pH-dependent adsorption reactions. It is found that the leaching process through the leached layer is diffusion-controlled for calcium and cadmium, whereas diffusion and adsorption occur simultaneously in the leached layer for lead and arsenic.« less

Cosmogenic Ne-21 Production Rates in H-Chondrites Based on Cl-36 - Ar-36 Ages

NASA Technical Reports Server (NTRS)

Leya, I.; Graf, Th.; Nishiizumi, K.; Guenther, D.; Wieler, R.

2000-01-01

We measured Ne-21 production rates in 14 H-chondrites in good agreement with model calculations. The production rates are based on Ne-21 concentrations measured on bulk samples or the non-magnetic fraction and Cl-36 - Ar-36 ages determined from the metal phase.

Water-based binary polyol process for the controllable synthesis of silver nanoparticles inhibiting human and foodborne pathogenic bacteria

USDA-ARS?s Scientific Manuscript database

The polyol process is a widely used strategy for producing nanoparticles from various reducible metallic precursors; however it requires a bulk polyol liquid reaction with additional protective agents at high temperatures. Here, we report a water-based binary polyol process using low concentrations ...

Strong, ductile, and thermally stable Cu-based metal-intermetallic nanostructured composites.

PubMed

Dusoe, Keith J; Vijayan, Sriram; Bissell, Thomas R; Chen, Jie; Morley, Jack E; Valencia, Leopolodo; Dongare, Avinash M; Aindow, Mark; Lee, Seok-Woo

2017-01-09

Bulk metallic glasses (BMGs) and nanocrystalline metals (NMs) have been extensively investigated due to their superior strengths and elastic limits. Despite these excellent mechanical properties, low ductility at room temperature and poor microstructural stability at elevated temperatures often limit their practical applications. Thus, there is a need for a metallic material system that can overcome these performance limits of BMGs and NMs. Here, we present novel Cu-based metal-intermetallic nanostructured composites (MINCs), which exhibit high ultimate compressive strengths (over 2 GPa), high compressive failure strain (over 20%), and superior microstructural stability even at temperatures above the glass transition temperature of Cu-based BMGs. Rapid solidification produces a unique ultra-fine microstructure that contains a large volume fraction of Cu 5 Zr superlattice intermetallic compound; this contributes to the high strength and superior thermal stability. Mechanical and microstructural characterizations reveal that substantial accumulation of phase boundary sliding at metal/intermetallic interfaces accounts for the extensive ductility observed.

Microgravity

NASA Image and Video Library

2000-04-14

Pat Doty (right) of NASA/Marshall Space Flight Center (MSFC) demonstrates the greater bounce to the ounce of metal made from a supercooled bulk metallic glass alloy that NASA is studying in space experiments. The metal plates at the bottom of the plexiglass tubes are made of three different types of metal. Bulk metallic glass is more resilient and, as a result, the dropped ball bearing bounces higher. Experiments in space allow scientists to study fundamental properties that carnot be observed on Earth. This demonstration was at the April 2000 conference of the National Council of Teachers of Mathematics in Chicago. Photo credit: NASA/Marshall Space Flight Center (MSFC)

Microgravity

NASA Image and Video Library

2000-04-14

Pat Doty (right) of NASA/Marshall Space Flight Center (MSFC) demonstrates the greater bounce to the ounce of metal made from a supercooled bulk metallic glass alloy that NASA is studying in space experiments. The metal plates at the bottom of the plexiglass tubes are made of three different types of metal. Bulk metallic glass is more resilient and, as a result, the dropped ball bearing bounces higher. Experiments in space allow scientists to study fundamental properties that carnot be observed on Earth. This demonstration was at the April 200 conference of the National Council of Teachers of Mathematics (NCTM) in Chicago. photo credit: NASA/Marshall Space Flight Center (MSFC)

From chemistry to mechanics: bulk modulus evolution of Li-Si and Li-Sn alloys via the metallic electronegativity scale.

PubMed

Li, Keyan; Xie, Hui; Liu, Jun; Ma, Zengsheng; Zhou, Yichun; Xue, Dongfeng

2013-10-28

Toward engineering high performance anode alloys for Li-ion batteries, we proposed a useful method to quantitatively estimate the bulk modulus of binary alloys in terms of metallic electronegativity (EN), alloy composition and formula volume. On the basis of our proposed potential viewpoint, EN as a fundamental chemistry concept can be extended to be an important physical parameter to characterize the mechanical performance of Li-Si and Li-Sn alloys as anode materials for Li-ion batteries. The bulk modulus of binary alloys is linearly proportional to the combination of average metallic EN and atomic density of alloys. We calculated the bulk moduli of Li-Si and Li-Sn alloys with different Li concentrations, which can agree well with the reported data. The bulk modulus of Li-Si and Li-Sn alloys decreases with increasing Li concentration, leading to the elastic softening of the alloys, which is essentially caused by the decreased strength of constituent chemical bonds in alloys from the viewpoint of EN. This work provides a deep understanding of mechanical failure of Si and Sn anodes for Li-ion batteries, and permits the prediction of the composition dependent bulk modulus of various lithiated alloys on the basis of chemical formula, metallic EN and cell volume (or alloy density), with no structural details required.

Thermal activation in Au-based bulk metallic glass characterized by high-temperature nanoindentation

NASA Astrophysics Data System (ADS)

Yang, Bing; Wadsworth, Jeffrey; Nieh, Tai-Gang

2007-02-01

High-temperature nanoindentation experiments have been conducted on a Au49Ag5.5Pd2.3Cu26.9Si16.3 bulk metallic glass from 30to140°C, utilizing loading rates ranging from 0.1to100mN/s. Generally, the hardness decreased with increasing temperature. An inhomogeneous-to-homogeneous flow transition was clearly observed when the test temperature approached the glass transition temperature. Analyses of the pop-in pattern and hardness variation showed that the inhomogeneous-to-homogeneous transition temperature was loading-rate dependent. Using a free-volume model, the authors deduced the size of the basic flow units and the activation energy for the homogeneous flow. In addition, the strain rate dependency of the transition temperature was predicted.

Development of novel purifiers with appropriate functional groups based on solvent polarities at bulk filtration

NASA Astrophysics Data System (ADS)

Kohyama, Tetsu; Kaneko, Fumiya; Ly, Saksatha; Hamzik, James; Jaber, Jad; Yamada, Yoshiaki

2017-03-01

Weak-polar solvents like PGMEA (Propylene Glycol Monomethyl Ether Acetate) or CHN (Cyclohexanone) are used to dissolve hydrophobic photo-resist polymers, which are challenging for traditional cleaning methods such as distillation, ion-exchange resins service or water-washing processes. This paper investigated two novel surface modifications to see their effectiveness at metal removal and to understand the mechanism. The experiments yielded effective purification methods for metal reduction, focusing on solvent polarities based on HSP (Hansen Solubility Parameters), and developing optimal purification strategies.

Self-optimized superconductivity attainable by interlayer phase separation at cuprate interfaces.

PubMed

Misawa, Takahiro; Nomura, Yusuke; Biermann, Silke; Imada, Masatoshi

2016-07-01

Stabilizing superconductivity at high temperatures and elucidating its mechanism have long been major challenges of materials research in condensed matter physics. Meanwhile, recent progress in nanostructuring offers unprecedented possibilities for designing novel functionalities. Above all, thin films of cuprate and iron-based high-temperature superconductors exhibit remarkably better superconducting characteristics (for example, higher critical temperatures) than in the bulk, but the underlying mechanism is still not understood. Solving microscopic models suitable for cuprates, we demonstrate that, at an interface between a Mott insulator and an overdoped nonsuperconducting metal, the superconducting amplitude is always pinned at the optimum achieved in the bulk, independently of the carrier concentration in the metal. This is in contrast to the dome-like dependence in bulk superconductors but consistent with the astonishing independence of the critical temperature from the carrier density x observed at the interfaces of La2CuO4 and La2-x Sr x CuO4. Furthermore, we identify a self-organization mechanism as responsible for the pinning at the optimum amplitude: An emergent electronic structure induced by interlayer phase separation eludes bulk phase separation and inhomogeneities that would kill superconductivity in the bulk. Thus, interfaces provide an ideal tool to enhance and stabilize superconductivity. This interfacial example opens up further ways of shaping superconductivity by suppressing competing instabilities, with direct perspectives for designing devices.

Self-optimized superconductivity attainable by interlayer phase separation at cuprate interfaces

PubMed Central

Misawa, Takahiro; Nomura, Yusuke; Biermann, Silke; Imada, Masatoshi

2016-01-01

Stabilizing superconductivity at high temperatures and elucidating its mechanism have long been major challenges of materials research in condensed matter physics. Meanwhile, recent progress in nanostructuring offers unprecedented possibilities for designing novel functionalities. Above all, thin films of cuprate and iron-based high-temperature superconductors exhibit remarkably better superconducting characteristics (for example, higher critical temperatures) than in the bulk, but the underlying mechanism is still not understood. Solving microscopic models suitable for cuprates, we demonstrate that, at an interface between a Mott insulator and an overdoped nonsuperconducting metal, the superconducting amplitude is always pinned at the optimum achieved in the bulk, independently of the carrier concentration in the metal. This is in contrast to the dome-like dependence in bulk superconductors but consistent with the astonishing independence of the critical temperature from the carrier density x observed at the interfaces of La2CuO4 and La2−xSrxCuO4. Furthermore, we identify a self-organization mechanism as responsible for the pinning at the optimum amplitude: An emergent electronic structure induced by interlayer phase separation eludes bulk phase separation and inhomogeneities that would kill superconductivity in the bulk. Thus, interfaces provide an ideal tool to enhance and stabilize superconductivity. This interfacial example opens up further ways of shaping superconductivity by suppressing competing instabilities, with direct perspectives for designing devices. PMID:27482542

Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method.

PubMed

Xu, Zhongnan; Joshi, Yogesh V; Raman, Sumathy; Kitchin, John R

2015-04-14

We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

Towards the Better: Intrinsic Property Amelioration in Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Sarac, Baran; Zhang, Long; Kosiba, Konrad; Pauly, Simon; Stoica, Mihai; Eckert, Jürgen

2016-06-01

Tailoring the intrinsic length-scale effects in bulk metallic glasses (BMGs) via post-heat treatment necessitates a systematic analyzing strategy. Although various achievements were made in the past years to structurally enhance the properties of different BMG alloys, the influence of short-term sub-glass transition annealing on the relaxation kinetics is still not fully covered. Here, we aim for unraveling the connection between the physical, (thermo)mechanical and structural changes as a function of selected pre-annealing temperatures and time scales with an in-house developed Cu46Zr44Al8Hf2 based BMG alloy. The controlled formation of nanocrystals below 50 nm with homogenous distribution inside the matrix phase via thermal treatment increase the material’s resistance to strain softening by almost an order of magnitude. The present work determines the design aspects of metallic glasses with enhanced mechanical properties via nanostructural modifications, while postulating a counter-argument to the intrinsic property degradation accounted for long-term annealing.

Rapid Relaxation and Embrittlement of Zr-based Bulk Metallic Glasses by Electropulsing

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

Yiu, P; Chen, Y. C.; Chu, J. P.

2013-01-01

Mechanical relaxation and embrittlement of Zr52.5Cu17.9Ni14.6Al10Ti5 bulk metallic glasses were achieved rapidly by the direct current electropulsing treatment. The temperature profile was recorded by an infrared camera and it was found to be non-uniform in the treated specimen. Specifically, temperatures below the glass transition temperature, near and above the crystallization temperature could be ach- ieved, respectively, at different locations in the same treated specimen. Two sets of nanoindentation were conducted. While the first set investigated the mechanical properties of three individually elec- tropulsed specimens with different conditions, the second set indented a single treated specimen along its temperature gradient. Bothmore » sets of indentation revealed that by Joule heating to different tempera- tures, relaxation, embrittlement, and crystallization were significantly accelerated by electrical pulses. Results suggest that electropulsing provides an opportunity to simultaneously achieve plastic forming and mechanical property control of metallic glasses.« less

Bulk Formation of Metallic Glasses and Amorphous Silicon from the Melt

NASA Technical Reports Server (NTRS)

Spaepen, F.

1985-01-01

By using metallic glass compositions with a high relative glass transition temperature, such as Pd40Ni40P20, homogeneous nucleation also becomes negligible. Large (5g) masses of this alloys were obtained using a molten B2O3 flux. Presently, bulk glass formation in iron based glasses is being investigated. It is expected that if an undercooling of about 250K can be achieved in a Ge or Si melt, formation of the amorphous semiconductor phase (rather than the crystal) may be kinetically favored. The volumetric behavior of undercooled liquid Ga droplet dispersion is investigated by dilatometry. A theoretical model (both analytical and numerical) was developed for transient nucleation in glass forming melts. The model, originally designed for isothermal conditions, was extended to continuous quenching. It is being applied to glass formation in various metallic and oxide systems. A further refinement will be the inclusion of diffusion controlled interfacial rearrangements governing the growth of the crystal embryos.

Hafnium-Based Bulk Metallic Glasses for Kinetic Energy Penetrators

DTIC Science & Technology

2004-12-01

uranium -based (DU) and tungsten- nickel -iron (W-Ni-Fe) composite kinetic energy (KE) munitions is primarily ascribed to their high densities (U: ρ...based on an invariant point identified in the hafnium- copper- nickel ternary system. They are denser than zirconium-based glass-forming compositions...depleted- uranium penetrators. 1. INTRODUCTION 1.1 Criterion for Effective Kinetic Energy Penetrator Performance The lethality of depleted

Synthesis of fluidized CO2 sorbents based on diamine coordinated to Metal-Organic Frameworks via direct conversion of metal oxides supported on mesoporous silica.

PubMed

Luz, Ignacio; Soukri, Mustapha; Lail, Marty

2018-06-06

A general and efficient method for shaping MOFs into fluidized forms has been developed via direct conversion of metal oxides supported on fluidized mesoporous silica. The resulting fluidized MOF hybrid materials containing diamines coordinated at the open metal sites have been studied as CO2 solid sorbents from post-combustion flue gas showing similar performance than their bulk counterparts. These novel fluidized MOF hybrid materials can be used for other applications involving fluidized bed reactor configurations, in which MOFs have never been considered. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Acquisition of a Modified Suction Casting Instrument for the Fabrication of Radiation Tolerant Bulk nNanostructured Metallic Materials

DTIC Science & Technology

2015-01-13

Cu/ Nb films”, Philos. Mag., 84, 1021-1028, (2004). [23] D. H. Ryan, J. M. D. Coey, “Magnetic properties of iron-rich Fe- Zr glasses”, Phys. Rev. B...2226, (1982). [26] K. Fukamichi, R. J. Gambino, T. R. McGuire, “ Electrical resistivity and Hall effect in FeZr amorphous sputtered films”, J. Appl...fabricate several bulk nanostructured metallic materials. In particular we fabricated bulk nanostructured Fe- Zr alloys via suction casting technique. The as

Sizable band gap in organometallic topological insulator

NASA Astrophysics Data System (ADS)

Derakhshan, V.; Ketabi, S. A.

2017-01-01

Based on first principle calculation when Ceperley-Alder and Perdew-Burke-Ernzerh type exchange-correlation energy functional were adopted to LSDA and GGA calculation, electronic properties of organometallic honeycomb lattice as a two-dimensional topological insulator was calculated. In the presence of spin-orbit interaction bulk band gap of organometallic lattice with heavy metals such as Au, Hg, Pt and Tl atoms were investigated. Our results show that the organometallic topological insulator which is made of Mercury atom shows the wide bulk band gap of about ∼120 meV. Moreover, by fitting the conduction and valence bands to the band-structure which are produced by Density Functional Theory, spin-orbit interaction parameters were extracted. Based on calculated parameters, gapless edge states within bulk insulating gap are indeed found for finite width strip of two-dimensional organometallic topological insulators.

Three-dimensional microstructural characterization of bulk plutonium and uranium metals using focused ion beam technique

NASA Astrophysics Data System (ADS)

Chung, Brandon W.; Erler, Robert G.; Teslich, Nick E.

2016-05-01

Nuclear forensics requires accurate quantification of discriminating microstructural characteristics of the bulk nuclear material to identify its process history and provenance. Conventional metallographic preparation techniques for bulk plutonium (Pu) and uranium (U) metals are limited to providing information in two-dimension (2D) and do not allow for obtaining depth profile of the material. In this contribution, use of dual-beam focused ion-beam/scanning electron microscopy (FIB-SEM) to investigate the internal microstructure of bulk Pu and U metals is demonstrated. Our results demonstrate that the dual-beam methodology optimally elucidate microstructural features without preparation artifacts, and the three-dimensional (3D) characterization of inner microstructures can reveal salient microstructural features that cannot be observed from conventional metallographic techniques. Examples are shown to demonstrate the benefit of FIB-SEM in improving microstructural characterization of microscopic inclusions, particularly with respect to nuclear forensics.

Three-dimensional microstructural characterization of bulk plutonium and uranium metals using focused ion beam technique

DOE PAGES

Chung, Brandon W.; Erler, Robert G.; Teslich, Nick E.

2016-03-03

Nuclear forensics requires accurate quantification of discriminating microstructural characteristics of the bulk nuclear material to identify its process history and provenance. Conventional metallographic preparation techniques for bulk plutonium (Pu) and uranium (U) metals are limited to providing information in two-dimension (2D) and do not allow for obtaining depth profile of the material. In this contribution, use of dual-beam focused ion-beam/scanning electron microscopy (FIB-SEM) to investigate the internal microstructure of bulk Pu and U metals is demonstrated. Our results demonstrate that the dual-beam methodology optimally elucidate microstructural features without preparation artifacts, and the three-dimensional (3D) characterization of inner microstructures can revealmore » salient microstructural features that cannot be observed from conventional metallographic techniques. As a result, examples are shown to demonstrate the benefit of FIB-SEM in improving microstructural characterization of microscopic inclusions, particularly with respect to nuclear forensics.« less

Cladding of Mg alloy with Zr based BMG Alloy

NASA Astrophysics Data System (ADS)

Prasada Rao, A. K.; Oh, Y. S.; Faisal, M. K.; Kim, N. J.

2016-02-01

In the present work, an attempt has been made to clad AZ31 magnesium alloy with Zr-based bulk metallic glassy alloy (Vit-1), by casting method. The interface studies conducted using SEM-EDS line scan indicate that a good bond is formed at the clad interface of Zr and Mg. And the mechanism involved is discussed herein.

Microgravity Outreach with Math Teachers

NASA Technical Reports Server (NTRS)

2000-01-01

Pat Doty (right) of NASA/Marshall Space Flight Center (MSFC) demonstrates the greater bounce to the ounce of metal made from a supercooled bulk metallic glass alloy that NASA is studying in space experiments. The metal plates at the bottom of the plexiglass tubes are made of three different types of metal. Bulk metallic glass is more resilient and, as a result, the dropped ball bearing bounces higher. Experiments in space allow scientists to study fundamental properties that carnot be observed on Earth. This demonstration was at the April 200 conference of the National Council of Teachers of Mathematics (NCTM) in Chicago. photo credit: NASA/Marshall Space Flight Center (MSFC)

Microgravity Outreach with Math Teachers

NASA Technical Reports Server (NTRS)

2000-01-01

Pat Doty (right) of NASA/Marshall Space Flight Center (MSFC) demonstrates the greater bounce to the ounce of metal made from a supercooled bulk metallic glass alloy that NASA is studying in space experiments. The metal plates at the bottom of the plexiglass tubes are made of three different types of metal. Bulk metallic glass is more resilient and, as a result, the dropped ball bearing bounces higher. Experiments in space allow scientists to study fundamental properties that carnot be observed on Earth. This demonstration was at the April 2000 conference of the National Council of Teachers of Mathematics in Chicago. Photo credit: NASA/Marshall Space Flight Center (MSFC)

Mechanism and modulation of terahertz generation from a semimetal - graphite

PubMed Central

Ye, Tong; Meng, Sheng; Zhang, Jin; E, Yiwen; Yang, Yuping; Liu, Wuming; Yin, Yan; Wang, Li

2016-01-01

Semi-metals might offer a stronger interaction and a better confinement for terahertz wave than semiconductors, while preserve tunability. Particularly, graphene-based materials are envisioned as terahertz modulators, filters and ultra-broadband sources. However, the understanding of terahertz generation from those materials is still not clear, thus limits us recognizing the potential and improving device performances. Graphite, the mother material of graphene and a typical bulk semi-metal, is a good system to study semi-metals and graphene-based materials. Here we experimentally modulate and maximize the terahertz signal from graphite surface, thus reveal the mechanism - surface field driving photon induced carriers into transient current to radiate terahertz wave. We also discuss the differences between graphite and semiconductors; particularly graphite shows very weak temperature dependency from room temperature to 80 °C. Above knowledge will help us understand terahertz generations, achieve maximum output and electric modulation, in semi-metal or graphene based devices. PMID:26972818

Mechanism and modulation of terahertz generation from a semimetal--graphite.

PubMed

Ye, Tong; Meng, Sheng; Zhang, Jin; E, Yiwen; Yang, Yuping; Liu, Wuming; Yin, Yan; Wang, Li

2016-03-14

Semi-metals might offer a stronger interaction and a better confinement for terahertz wave than semiconductors, while preserve tunability. Particularly, graphene-based materials are envisioned as terahertz modulators, filters and ultra-broadband sources. However, the understanding of terahertz generation from those materials is still not clear, thus limits us recognizing the potential and improving device performances. Graphite, the mother material of graphene and a typical bulk semi-metal, is a good system to study semi-metals and graphene-based materials. Here we experimentally modulate and maximize the terahertz signal from graphite surface, thus reveal the mechanism--surface field driving photon induced carriers into transient current to radiate terahertz wave. We also discuss the differences between graphite and semiconductors; particularly graphite shows very weak temperature dependency from room temperature to 80 °C. Above knowledge will help us understand terahertz generations, achieve maximum output and electric modulation, in semi-metal or graphene based devices.

Nickel speciation in several serpentine (ultramafic) topsoils via bulk synchrotron-based techniques

USDA-ARS?s Scientific Manuscript database

Serpentine soils are extensively studied because of their unique soil chemical properties and flora. They commonly have high magnesium-to-calcium ratios and elevated concentrations of trace metals including nickel, cobalt, and chromium. Several nickel hyperaccumulator plants are native to serpenti...

Local melting to design strong and plastically deformable bulk metallic glass composites

PubMed Central

Qin, Yue-Sheng; Han, Xiao-Liang; Song, Kai-Kai; Tian, Yu-Hao; Peng, Chuan-Xiao; Wang, Li; Sun, Bao-An; Wang, Gang; Kaban, Ivan; Eckert, Jürgen

2017-01-01

Recently, CuZr-based bulk metallic glass (BMG) composites reinforced by the TRIP (transformation-induced plasticity) effect have been explored in attempt to accomplish an optimal of trade-off between strength and ductility. However, the design of such BMG composites with advanced mechanical properties still remains a big challenge for materials engineering. In this work, we proposed a technique of instantaneously and locally arc-melting BMG plate to artificially induce the precipitation of B2 crystals in the glassy matrix and then to tune mechanical properties. Through adjusting local melting process parameters (i.e. input powers, local melting positions, and distances between the electrode and amorphous plate), the size, volume fraction, and distribution of B2 crystals were well tailored and the corresponding formation mechanism was clearly clarified. The resultant BMG composites exhibit large compressive plasticity and high strength together with obvious work-hardening ability. This compelling approach could be of great significance for the steady development of metastable CuZr-based alloys with excellent mechanical properties. PMID:28211890

Comprehensive recovery of gold and base-metal sulfide minerals from a low-grade refractory ore

NASA Astrophysics Data System (ADS)

Li, Wen-juan; Liu, Shuang; Song, Yong-sheng; Wen, Jian-kang; Zhou, Gui-ying; Chen, Yong

2016-12-01

The comprehensive recovery of small amounts of valuable minerals such as gold and base-metal sulfide minerals from a low-grade refractory ore was investigated. The following treatment strategy was applied to a sample of this ore: gold flotation-gold concentrate leaching-lead and zinc flotation from the gold concentrate leaching residue. Closed-circuit trials of gold flotation yielded a gold concentrate that assayed at 40.23 g·t-1 Au with a recovery of 86.25%. The gold concentrate leaching rate was 98.76%. Two variants of lead-zinc flotation from the residue—preferential flotation of lead and zinc and bulk flotation of lead and zinc—were tested using the middling processing method. Foam from the reflotation was returned to the lead rougher flotation or lead-zinc bulk flotation, whereas middlings from reflotation were discarded. Sulfur concentrate was a byproduct. The combined strategy of flotation, leaching, and flotation is recommended for the treatment of this kind of ore.

Coupled metal partitioning dynamics and toxicodynamics at biointerfaces: a theory beyond the biotic ligand model framework.

PubMed

Duval, Jérôme F L

2016-04-14

A mechanistic understanding of the processes governing metal toxicity to microorganisms (bacteria, algae) calls for an adequate formulation of metal partitioning at biointerfaces during cell exposure. This includes the account of metal transport dynamics from bulk solution to biomembrane and the kinetics of metal internalisation, both potentially controlling the intracellular and surface metal fractions that originate cell growth inhibition. A theoretical rationale is developed here for such coupled toxicodynamics and interfacial metal partitioning dynamics under non-complexing medium conditions with integration of the defining cell electrostatic properties. The formalism explicitly considers intertwined metal adsorption at the biointerface, intracellular metal excretion, cell growth and metal depletion from bulk solution. The theory is derived under relevant steady-state metal transport conditions on the basis of coupled Nernst-Planck equation and continuous logistic equation modified to include metal-induced cell growth inhibition and cell size changes. Computational examples are discussed to identify limitations of the classical Biotic Ligand Model (BLM) in evaluating metal toxicity over time. In particular, BLM is shown to severely underestimate metal toxicity depending on cell exposure time, metal internalisation kinetics, cell surface electrostatics and initial cell density. Analytical expressions are provided for the interfacial metal concentration profiles in the limit where cell-growth is completely inhibited. A rigorous relationship between time-dependent cell density and metal concentrations at the biosurface and in bulk solution is further provided, which unifies previous equations formulated by Best and Duval under constant cell density and cell size conditions. The theory is sufficiently flexible to adapt to toxicity scenarios with involved cell survival-death processes.

Bulk substrate porosity verification by applying Monte Carlo modeling and Castaing's formula using energy-dispersive x-rays

NASA Astrophysics Data System (ADS)

Yung, Lai Chin; Fei, Cheong Choke; Mandeep, Jit Singh; Amin, Nowshad; Lai, Khin Wee

2015-11-01

The leadframe fabrication process normally involves additional thin-metal layer plating on the bulk copper substrate surface for wire bonding purposes. Silver, tin, and copper flakes are commonly adopted as plating materials. It is critical to assess the density of the plated metal layer, and in particular to look for porosity or voids underneath the layer, which may reduce the reliability during high-temperature stress. A fast, reliable inspection technique is needed to assess the porosity or void weakness. To this end, the characteristics of x-rays generated from bulk samples were examined using an energy-dispersive x-ray (EDX) detector to examine the porosity percentage. Monte Carlo modeling was integrated with Castaing's formula to verify the integrity of the experimental data. Samples with different porosity percentages were considered to test the correlation between the intensity of the collected x-ray signal and the material density. To further verify the integrity of the model, conventional cross-sectional samples were also taken to observe the porosity percentage using Image J software measurement. A breakthrough in bulk substrate assessment was achieved by applying EDX for the first time to nonelemental analysis. The experimental data showed that the EDX features were not only useful for elemental analysis, but also applicable to thin-film metal layer thickness measurement and bulk material density determination. A detailed experiment was conducted using EDX to assess the plating metal layer and bulk material porosity.

Laser Shock Peening on Zr-based Bulk Metallic Glass and Its Effect on Plasticity: Experiment and Modeling

NASA Astrophysics Data System (ADS)

Cao, Yunfeng; Xie, Xie; Antonaglia, James; Winiarski, Bartlomiej; Wang, Gongyao; Shin, Yung C.; Withers, Philip J.; Dahmen, Karin A.; Liaw, Peter K.

2015-05-01

The Zr-based bulk metallic glasses (BMGs) are a new family of attractive materials with good glass-forming ability and excellent mechanical properties, such as high strength and good wear resistance, which make them candidates for structural and biomedical materials. Although the mechanical behavior of BMGs has been widely investigated, their deformation mechanisms are still poorly understood. In particular, their poor ductility significantly impedes their industrial application. In the present work, we show that the ductility of Zr-based BMGs with nearly zero plasticity is improved by a laser shock peening technique. Moreover, we map the distribution of laser-induced residual stresses via the micro-slot cutting method, and then predict them using a three-dimensional finite-element method coupled with a confined plasma model. Reasonable agreement is achieved between the experimental and modeling results. The analyses of serrated flows reveal plentiful and useful information of the underlying deformation process. Our work provides an easy and effective way to extend the ductility of intrinsically-brittle BMGs, opening up wider applications of these materials.

Laser shock peening on Zr-based bulk metallic glass and its effect on plasticity: Experiment and modeling

DOE PAGES

Cao, Yunfeng; Xie, Xie; Antonaglia, James; ...

2015-05-20

The Zr-based bulk metallic glasses (BMGs) are a new family of attractive materials with good glass-forming ability and excellent mechanical properties, such as high strength and excellent wear resistance, which make them candidates for structural and biomedical materials. Although the mechanical behavior of BMGs has been widely investigated, their deformation mechanisms are still poorly understood. In particular, their poor ductility significantly impedes their industrial application. In the present work, we show that the ductility of Zr-based BMGs with nearly zero plasticity is improved by a laser shock peening technique. Moreover, we map the distribution of laser-induced residual stresses via themore » micro-slot cutting method, and then predict them using a three dimensional finite-element method coupled with a confined plasma model. Reasonable agreement is achieved between the experimental and modeling results. The analysis of serrated flow reveals plentiful and useful information of the underlying deformation process. As a result, our work provides an easy and effective way to extend the ductility of intrinsically-brittle BMGs, opening up wider applications of these materials.« less

Achieving large linear elasticity and high strength in bulk nanocompsite via synergistic effect

DOE PAGES

Hao, Shijie; Cui, Lishan; Guo, Fangmin; ...

2015-03-09

Elastic strain in bulk metallic materials is usually limited to only a fraction of 1%. Developing bulk metallic materials showing large linear elasticity and high strength has proven to be difficult. Here, based on the synergistic effect between nanowires and orientated martensite NiTi shape memory alloy, we developed an in-situ Nb nanowires-orientated martensitic NiTi matrix composite showing an ultra-large linear elastic strain of 4% and an ultrahigh yield strength of 1.8 GPa. This material also has a high mechanical energy storage efficiency of 96% and a high energy storage density of 36 J/cm 3 that is almost one order ofmore » larger than that of spring steel. It is demonstrated that the synergistic effect allows the exceptional mechanical properties of nanowires to be harvested at macro scale and the mechanical properties of matrix to be greatly improved, resulting in these superior properties. This research provides new avenues for developing advanced composites with superior properties by using effective synergistic effect between components.« less

Spallation behaviour of a Zr-bulk metallic glass

NASA Astrophysics Data System (ADS)

Ling, Z.; Huang, X.; Shen, L. T.; Dai, L. H.

2012-08-01

Plate impact experiments have been conducted on a Zr-based bulk metal glass (BMG) using a single stage light gas gun. To understand the spallation process of the material, samples were subjected to dynamic tensile loadings of the same amplitude but different durations. Fractographs of spallation surface and fracture features were characterized and the fracture mechanism of different regions of the spallation surface was discussed. Morphology of the spallation surface in the Zr-BMG exhibited a typical equiaxial cellular pattern and porous microstructure. These experiments revealed that, subjected to hydro-tensile stresses, the microdamage of the spallation occurred in the Zr-BMG is microvoids; the spallation in the Zr-BMG is resulted from nucleation, growth and coalescence of microvoids; and the time needed for these microvoids nucleation is less than 100 ns with a stress amplitude of 3.18 GPa.

Characterization of solid particle erosion resistance of ductile metals based on their properties

NASA Technical Reports Server (NTRS)

Rao, P. V.; Buckley, D. H.

1985-01-01

This paper presents experimental results pertaining to spherical glass bead and angular crushed glass particle impingement. A concept of energy absorption to explain the failure of material is proposed and is correlated with the erosion characteristics of several pure metals. Analyses of extensive erosion data indicate that the properties - surface energy, specific melting energy, strain energy, melting point, bulk modulus, hardness, atomic volume - and the product of the parameters - linear coefficient of thermal expansion x bulk modulus x temperature rise required for melting, and ultimate resilience x hardness - exhibit the best correlations. The properties of surface energy and atomic volume are suggested for the first time for correlation purposes and are found to correlate well with erosion rates at different angles of impingement. It further appears that both energy and thermal properties contribute to the total erosion.

Effects of geometric factors and shear band patterns on notch sensitivity in bulk metallic glasses

DOE PAGES

Li, Weidong; Bei, Hongbin; Gao, Yanfei

2016-09-21

Our recent experiments in notched bulk metallic glasses have found reduced, or insensitive, or improved strengths, while in many of these cases the ductile strain prior to final failure is enhanced. First, although the inverse notch effect is explained by a shift from shear localization to cavitation failure, it is suggested in this work that the synergistic effect between cohesive fracture at the notched area and shear bands emanating from the notch roots may extend the parametric space for the notch insensitive behavior. Second, the dependence of shear band patterns on notch geometric factors is determined by the Rudnicki-Rice theorymore » and the free-volume-based finite element simulations. Our results suggest conditions for shear band multiplication to take place and for the shear-localization-induced failure to be delayed.« less

Effects of geometric factors and shear band patterns on notch sensitivity in bulk metallic glasses

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

Li, Weidong; Bei, Hongbin; Gao, Yanfei

Our recent experiments in notched bulk metallic glasses have found reduced, or insensitive, or improved strengths, while in many of these cases the ductile strain prior to final failure is enhanced. First, although the inverse notch effect is explained by a shift from shear localization to cavitation failure, it is suggested in this work that the synergistic effect between cohesive fracture at the notched area and shear bands emanating from the notch roots may extend the parametric space for the notch insensitive behavior. Second, the dependence of shear band patterns on notch geometric factors is determined by the Rudnicki-Rice theorymore » and the free-volume-based finite element simulations. Our results suggest conditions for shear band multiplication to take place and for the shear-localization-induced failure to be delayed.« less

Dynamic fracture instability of tough bulk metallic glass

NASA Astrophysics Data System (ADS)

Meng, J. X.; Ling, Z.; Jiang, M. Q.; Zhang, H. S.; Dai, L. H.

2008-04-01

We report the observations of a clear fractographic evolution from vein pattern, dimple structure, and then to periodic corrugation structure, followed by microbranching pattern, along the crack propagation direction in the dynamic fracture of a tough Zr41.2Ti13.8Cu12.5Ni10Be22.5 (Vit.1) bulk metallic glass (BMGs) under high-velocity plate impact. A model based on fracture surface energy dissipation and void growth is proposed to characterize this fracture pattern transition. We find that once the dynamic crack propagation velocity reaches a critical fraction of Rayleigh wave speed, the crack instability occurs; hence, crack microbranching goes ahead. Furthermore, the correlation between the critical velocity of amorphous materials and their intrinsic strength such as Young's modulus is uncovered. The results may shed new insight into dynamic fracture instability for BMGs.

Depth of cure of proximal composite resin restorations using a new perforated metal matrix.

PubMed

Nguyen, Duke P; Motyka, Nancy C; Meyers, Erik J; Vandewalle, Kraig S

2018-01-01

The purpose of this study was to compare the depths of cure of a proximal box preparation filled in bulk with various approaches: filled with a bulk-fill or conventional composite; placed with a new perforated metal matrix, a traditional metal matrix, or a clear matrix; and polymerized with either occlusal-only or tri-sited light curing. After tri-sited curing, the use of the new perforated metal matrix band resulted in a depth of cure that was not significantly different from that achieved with the use of metal bands (removed during curing) or transparent matrix bands. Adequate polymerization was obtained at depths of more than 5.0 mm for the bulk-fill composite and more than 4.0 mm for the conventional composite when tri-sited light curing was used. Tri-sited light curing resulted in a significantly greater depth of cure than occlusal-only curing. The perforated metal band may be used as an alternative to the use of solid metal bands or transparent matrix bands to provide similar depths of cure for composite resins, with the possible benefits of malleability and the ability to leave the band in place during tri-sited light curing.

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

Prokop'ev, I.A.; Churshukov, E.S.; Maiko, L.P.

This article evaluates the stability of the protective properties of preservative oils when they are oxidized in the bulk and in a thin layer. Proposes a method based on a quantitative evaluation of the changes in protective properties of the oils after artificial oxidation in the bulk and in a thin layer on a metal surface. Finds that the proposed method makes it possible to establish the character of changes in protective properties of preservative oils during storage and application, and to differentiate oils with respect to this index over a broad range of protective levels.

Adsorption of halogens on metal surfaces

NASA Astrophysics Data System (ADS)

Andryushechkin, B. V.; Pavlova, T. V.; Eltsov, K. N.

2018-06-01

This paper presents a review of the experimental and theoretical investigations of halogen interaction with metal surfaces. The emphasis was placed on the recent measurements performed with a scanning tunneling microscope in combination with density functional theory calculations. The surface structures formed on metal surface after halogen interaction are classified into three groups: chemisorbed monolayer, surface halide, bulk-like halide. Formation of monolayer structures is described in terms of surface phase transitions. Surface halide phases are considered to be intermediates between chemisorbed halogen and bulk halide. The modern theoretical approaches in studying the dynamics of metal halogenation reactions are also presented.

Microgravity

NASA Image and Video Library

2000-04-14

Pat Doty (right) of NASA/Marshall Space Flight Center (MSFC) demonstrates the greater bounce to the ounce of metal made from a supercooled bulk metallic glass alloy that NASA is studying in space expepriments. The metal plates at the bottom of plexiglass tubes are made of three different types of metal. Bulk mettalic glass is more resilient and, as a result, the dropped ball bearing bounces higher. Experiments in space allow scientists to study fundamental properties that carnot be observed on Earth. This demonstration was at the April 2000 conference of the National Council of Teachers of Mathematics (NCTM) in Chicago. Photo credit: NASA/Marshall Space Flight Center (MSFC)

General rules for incorporating noble metal nanoparticles in organic solar cells

NASA Astrophysics Data System (ADS)

Ciesielski, A.; Switlik, D.; Szoplik, T.

2017-05-01

Over the recent years, the influence of the addition of noble metal nanoparticles (Au, Ag, Al, Cu) into the bulk heterojunction (BHJ) solar cells on their efficiency of visible sunlight absorption has been excessively studied. However, several detailed studies were focused on compounds with similar chemical structure, and thus similar optical and electric properties. Such approach provides little help when it comes to admixing metallic nanoparticles into new compound families with different properties. Moreover, theoretical approaches frequently tend to neglect the fact, that nanoparticles have different dispersion relation than bulk material, which may lead to false conclusions. In this work, we consider additional dispersion modes in the metal permittivity due to finite size of the nanoparticles. We use Maxwell-Garnet effective medium approach (EMA), combined with the transfer matrix method, as well as finite-difference time-domain (FDTD) simulations, to create a set of general rules for incorporating noble metal nanoparticles into the active layer. These principles, based on assumed basic properties of the active layer (e.g. real and imaginary part of refractive index, thickness) provide optimal material, size spectrum and fill factor of nanoparticle inclusions in order to ensure the best absorption enhancement. Our results show, that the optimal concentrations for silver nanoparticles are about 50% greater than those determined without taking into account additional components in the permittivity of the metal.

Caltech Center for Structural and Amorphous Metals

DTIC Science & Technology

2005-05-10

Flores, D. Suh, R. Howell, P. Asoka -Kumar, P.A. Sterne, and R. H. Dauskardt, "Flow and Fracture of Bulk Metallic Glass Alloys and Their Composites...Behavior of Zr-Ti-Cu-Ni-Be Bulk Metallic Glass Alloys," Materials Transactions, JIM, 42 [4], 638-641, 2001. K. M. Flores, D. Suh, P. Asoka -Kumar, P.A...Materials Research, 17[5], 1153-1161, 2002. D. Suh, P. Asoka -Kumar and R. H. Dauskardt, "The Effects of Hydrogen on Viscoelastic Relaxation in Zr-Ti-Ni-Cu

Floquet Topological Insulators in Uranium Compounds

NASA Astrophysics Data System (ADS)

Pi, Shu-Ting; Savrasov, Sergey

2014-03-01

A major issue regarding the Uranium based nuclear fuels is to conduct the heat from the core area to its outer area. Unfortunately, those materials are notorious for their extremely low thermal conductivity due to the phonon-dominated-heat-transport properties in insulating states. Although metallic Uranium compounds are helpful in increasing the thermal conductivity, their low melting point still make those efforts in vain. In this report, we will figure out potential Uranium based Floquet topological insulators where the insulating bulk states accompanied with metallic surface states is achieved by applying periodic electrical fields which makes the coexistence of both benefits possible.

Measurements of True Leak Rates of MEMS Packages

PubMed Central

Han, Bongtae

2012-01-01

Gas transport mechanisms that characterize the hermetic behavior of MEMS packages are fundamentally different depending upon which sealing materials are used in the packages. In metallic seals, gas transport occurs through a few nanoscale leak channels (gas conduction) that are produced randomly during the solder reflow process, while gas transport in polymeric seals occurs through the bulk material (gas diffusion). In this review article, the techniques to measure true leak rates of MEMS packages with the two sealing materials are described and discussed: a Helium mass spectrometer based technique for metallic sealing and a gas diffusion based model for polymeric sealing. PMID:22736994

Thin metal electrode for AMTEC

NASA Technical Reports Server (NTRS)

Williams, Roger M. (Inventor); Wheeler, Bob L. (Inventor); Jefferies-Nakamura, Barbara (Inventor); Lamb, James L. (Inventor); Bankston, C. Perry (Inventor); Cole, Terry (Inventor)

1989-01-01

An electrode having higher power output is formed of a thin, porous film (less than 1 micrometer) applied to a beta-alumina solid electrolyte (BASE). The electrode includes an open grid, current collector such as a series of thin, parallel, grid lines applied to the thin film and a plurality of cross-members such as loop of metal wire surrounding the BASE tube. The loops are electrically connected by a bus wire. The overall impedance of the electrode considering both the contributions from the bulk BASE and the porous electrode BASE interface is low, about 0.5 OHM/cm.sup.2 and power densities of over 0.3 watt/cm.sup.2 for extended periods.

Adhesion and enrichment of metals on human hands from contaminated soil at an Arctic urban brownfield.

PubMed

Siciliano, Steven D; James, K; Zhang, Guiyin; Schafer, Alexis N; Peak, J Derek

2009-08-15

Human exposure to contaminated soils drives clean up criteria at many urban brownfields. Current risk assessment guidelines assume that humans ingest some fraction of soil smaller than 4 mm but have no estimates of what fraction of soil is ingested by humans. Here, we evaluated soil adherence to human hands for 13 agricultural soils from Saskatchewan, Canada and 17 different soils from a brownfield located in Iqaluit, Nunavut, Canada. In addition, we estimated average particle size adhering to human hands for residents of a northern urban setting. Further, we estimated how metal concentrations differed between the adhered and bulk (< 4 mm) fraction of soil. The average particle size for adhered agricultural soils was 34 microm, adhered brownfield soils was 105 microm, and particles adhered to human residentswas 36 microm. Metals were significantly enriched in these adhered fractions with an average enrichment [(adhered-bulk)/bulk] in metal concentration of 184% (113% median) for 24 different elements. Enrichment was greater for key toxicological elements of concern such as chromium (140%), copper (140%), nickel (130%), lead (110%), and zinc (130%) and was highest for silver (810%), mercury (630%), selenium (500%), and arsenic (420%). Enrichment were positively correlated with carbonate complexation constants (but not bulk solubility products) and suggests that the dominant mechanism controlling metal enrichment in these samples is a precipitation of carbonate surfaces that subsequently adsorb metals. Our results suggest that metals of toxicological concern are selectively enriched in the fraction of soil that humans incidentally ingest. Investigators should likely process soil samples through a 45 microm sieve before estimating the risk associated with contaminated soils to humans. The chemical mechanisms resulting in metal enrichment likely differ between sites but at our site were linked to surface complexation with carbonates.

Observationally Constraining Gas Giant Composition via Their Host Star Abundances

NASA Astrophysics Data System (ADS)

Teske, Johanna; Thorngren, Daniel; Fortney, Jonathan

2018-01-01

While the photospheric abundances of the Sun match many rock-forming elemental abundances in the Earth to within 10 mol%, as well as in Mars, the Moon, and meteorites, the Solar System giant planets are of distinctly non-stellar composition — Jupiter's bulk metallicity (inferred from its bulk density, measured from spacecraft data) is ∼ x5-10 solar, and Saturn is ∼ x10-20 solar. This knowledge has led to dramatic advances in understanding models of core accretion, which now match the heavy element enrichment of each of the Solar System's giant planets. However, we have thus far lacked similar data for exoplanets to use as a check for formation and composition models over a much larger parameter space. Here we present a study of the host stars of a sample of cool transiting gas giants with measured bulk metal fractions (as in Thorngren et al. 2016) to better constrain the relation Zplanet/Zstar — giant exoplanet metal enrichment relative to the host star. We add a new dimension of chemical variation, measuring C, O, Mg, Si, Ni, and well as Fe (on which previous Zplanet/Zstar calculations were based). Our analysis provides the best constraints to date on giant exoplanet interior composition and how this relates to formation environment, and make testable predictions for JWST observations of exoplanet atmospheres.

ASRDI oxygen technology survey, Volume 7: Characteristics of metals that influence system safety

NASA Technical Reports Server (NTRS)

Pelouch, J. J., Jr.

1974-01-01

A literature survey and analysis of the material and process factors affecting the safety of metals in oxygen systems is presented. In addition, the practices of those who specify, build, or use oxygen systems relative to the previous is summarized. Alloys based on iron, copper, nickel, and aluminum were investigated representing the bulk of metals found in oxygen systems. Safety-related characteristics of other miscellaneous metals are summarized. It was found that factors affecting the safety of metals in oxygen systems exit in all phases of the evolutionary process, from smelting and mill techniques through end-production fabrication. The safety of a given metal in an oxygen system was determined to be influenced by the particular service requirement. The metal characteristics should favorably influence fulfillment of these requirements. Thus, no singular metal or alloy could be classified as safest for all types of oxygen service.

First Principles Calculations of Transition Metal Binary Alloys: Phase Stability and Surface Effects

NASA Astrophysics Data System (ADS)

Aspera, Susan Meñez; Arevalo, Ryan Lacdao; Shimizu, Koji; Kishida, Ryo; Kojima, Kazuki; Linh, Nguyen Hoang; Nakanishi, Hiroshi; Kasai, Hideaki

2017-06-01

The phase stability and surface effects on binary transition metal nano-alloy systems were investigated using density functional theory-based first principles calculations. In this study, we evaluated the cohesive and alloying energies of six binary metal alloy bulk systems that sample each type of alloys according to miscibility, i.e., Au-Ag and Pd-Ag for the solid solution-type alloys (SS), Pd-Ir and Pd-Rh for the high-temperature solid solution-type alloys (HTSS), and Au-Ir and Ag-Rh for the phase-separation (PS)-type alloys. Our results and analysis show consistency with experimental observations on the type of materials in the bulk phase. Varying the lattice parameter was also shown to have an effect on the stability of the bulk mixed alloy system. It was observed, particularly for the PS- and HTSS-type materials, that mixing gains energy from the increasing lattice constant. We furthermore evaluated the surface effects, which is an important factor to consider for nanoparticle-sized alloys, through analysis of the (001) and (111) surface facets. We found that the stability of the surface depends on the optimization of atomic positions and segregation of atoms near/at the surface, particularly for the HTSS and the PS types of metal alloys. Furthermore, the increase in energy for mixing atoms at the interface of the atomic boundaries of PS- and HTSS-type materials is low enough to overcome by the gain in energy through entropy. These, therefore, are the main proponents for the possibility of mixing alloys near the surface.

Advanced Biomimetic Implants Based on Nanostructured Coatings Synthesized by Pulsed Laser Technologies

NASA Astrophysics Data System (ADS)

Mihailescu, Ion N.; Ristoscu, Carmen; Bigi, Adriana; Mayer, Isaac

Calcium phosphates (CaPs) are alternative substitutes for human bones and so primary candidates for the manufacture of medical implants. Unfortunately, they do not withstand stress in bulk. To overcome this obstacle, a solution was developed to cover metallic implants with functional biomimetic layers.

A High Strain-Rate Investigation of a Zr-Based Bulk Metallic Glass and an HTPB Polymer Composite

DTIC Science & Technology

2011-03-01

95 8. Lankford J. (1977) Compressive strength and microplasticity in polycrystalline alumina. Journal of Materials Science 12, 791-796. 9...Letters 45, 615-616. 59. Lankford J. (1977) Compressive strength and microplasticity in polycrystalline alumina. Journal of Materials Science 12, 791

Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra [On the Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra

DOE PAGES

Gilroy, Kyle D.; Elnabawy, Ahmed O.; Yang, Tung -Han; ...

2017-04-27

Despite the remarkable success in controlling the synthesis of metal nanocrystals, it still remains a grand challenge to stabilize and preserve the shapes or internal structures of metastable kinetic products. In this work, we address this issue by systematically investigating the surface and bulk reconstructions experienced by a Pd concave icosahedron when subjected to heating up to 600 °C in vacuum. We used in situ high-resolution transmission electron microscopy to identify the equilibration pathways of this far-from-equilibrium structure. We were able to capture key structural transformations occurring during the thermal annealing process, which were mechanistically rationalized by implementing self-consistent plane-wavemore » density functional theory (DFT) calculations. Specifically, the concave icosahedron was found to evolve into a regular icosahedron via surface reconstruction in the range of 200–400 °C, and then transform into a pseudospherical crystalline structure through bulk reconstruction when further heated to 600 °C. As a result, the mechanistic understanding may lead to the development of strategies for enhancing the thermal stability of metal nanocrystals.« less

Half-metallic magnetism in Ti 3Co 5-xFe xB 2

DOE PAGES

Pathak, Rohit; Ahamed, Imran; Zhang, W. Y.; ...

2017-02-08

Here, bulk alloys and thin films of Fe-substituted Ti 3Co 5B 2 have been investigated by first-principle density-functional calculations. The series, which is of interest in the context of alnico magnetism and spin electronics, has been experimentally realized in nanostructures but not in the bulk. Our bulk calculations predict paramagnetism for Ti 3Co 5B 2, Ti 3Co 4FeB 2 and Ti 3CoFe 4B 2, whereas Ti 3Fe 5B 2 is predicted to be ferromagnetic. The thin films are all ferromagnetic, indicating that moment formation may be facilitated at nanostructural grain boundaries. One member of the thin-film series, namely Ti 3CoFemore » 4B 2, is half-metallic and exhibits perpendicular easy-axis magnetic anisotropy. The half-metallicity reflects the hybridization of the Ti, Fe and Co 3d orbitals, which causes a band gap in minority spin channel, and the limited equilibrium solubility of Fe in bulk Ti 3Co 5B 2 may be linked to the emerging half-metallicity due to Fe substitution.« less

Half-metallic magnetism in Ti 3Co 5-xFe xB 2

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

Pathak, Rohit; Ahamed, Imran; Zhang, W. Y.

Here, bulk alloys and thin films of Fe-substituted Ti 3Co 5B 2 have been investigated by first-principle density-functional calculations. The series, which is of interest in the context of alnico magnetism and spin electronics, has been experimentally realized in nanostructures but not in the bulk. Our bulk calculations predict paramagnetism for Ti 3Co 5B 2, Ti 3Co 4FeB 2 and Ti 3CoFe 4B 2, whereas Ti 3Fe 5B 2 is predicted to be ferromagnetic. The thin films are all ferromagnetic, indicating that moment formation may be facilitated at nanostructural grain boundaries. One member of the thin-film series, namely Ti 3CoFemore » 4B 2, is half-metallic and exhibits perpendicular easy-axis magnetic anisotropy. The half-metallicity reflects the hybridization of the Ti, Fe and Co 3d orbitals, which causes a band gap in minority spin channel, and the limited equilibrium solubility of Fe in bulk Ti 3Co 5B 2 may be linked to the emerging half-metallicity due to Fe substitution.« less

Copper, zinc, and cadmium in various fractions of soil and fungi in a Swedish forest.

PubMed

Vinichuk, Mykhailo M

2013-01-01

Ectomycorrhizal fungi profoundly affect forest ecosystems through mediating nutrient uptake and maintaining forest food webs. The accumulation of metals in each transfer step from bulk soil to fungal sporocarps is not well known. The accumulation of three metals copper (Cu), zinc (Zn) and cadmium (Cd) in bulk soil, rhizosphere, soil-root interface, fungal mycelium and sporocarps of mycorrhizal fungi in a Swedish forest were compared. Concentrations of all three metals increased in the order: bulk soil < soil-root interface (or rhizosphere) < fungal mycelium < fungal sporocarps. The uptake of Cu, Zn and Cd during the entire transfer process in natural conditions between soil and sporocarps occurred against a concentration gradient. In fungal mycelium, the concentration of all three metals was about three times higher than in bulk soil, and the concentration in sporocarps was about two times higher than in mycelium. In terms of accumulation, fungi (mycelium and sporocarps) preferred Cd to Zn and Cu. Zinc concentration in sporocarps and to a lesser extent in mycelium depended on the concentration in soil, whereas, the uptake of Cu and Cd by both sporocarps and mycelium did not correlate with metal concentration in soil. Heavy metal accumulation within the fungal mycelium biomass in the top forest soil layer (0-5 cm) might account for ca. 5-9% of the total amount of Cu, 5-11% of Zn, and 16-32% of Cd. As the uptake of zinc and copper by fungi may be balanced, this implied similarities in the uptake mechanism.

Study of low dimensional SiGe island on Si for potential visible Metal-Semiconductor-Metal photodetector

NASA Astrophysics Data System (ADS)

Rahim, Alhan Farhanah Abd; Zainal Badri, Nur'Amirah; Radzali, Rosfariza; Mahmood, Ainorkhilah

2017-11-01

In this paper, an investigation of design and simulation of silicon germanium (SiGe) islands on silicon (Si) was presented for potential visible metal semiconductor metal (MSM) photodetector. The characterization of the performances in term of the structural, optical and electrical properties of the structures was analyzed from the simulation results. The project involves simulation using SILVACO Technology Computer Aided Design (TCAD) tools. The different structures of the silicon germanium (SiGe) island on silicon substrate were created, which were large SiGe, small SiGe, combination SiGe and bulk Ge. All the structures were tested for potential Metal Semiconductor Metal (MSM) photodetector. The extracted data such as current versus voltage characteristic, current gain and spectral response were obtained using ATLAS SILVACO tools. The performance of SiGe island structures and bulk Ge on Si substrate as (MSM) photodetector was evaluated by photo and dark current-voltage (I-V) characteristics. It was found that SiGe islands exhibited higher energy band gap compared to bulk Ge. The SiGe islands current-voltage characteristics showed improved current gain compared to bulk Ge. Specifically the enhancement of the islands gain was contributed by the enhanced photo currents and lower dark currents. The spectral responses of the SiGe islands showed peak response at 590 nm (yellow) which is at the visible wavelength. This shows the feasibility of the SiGe islands to be utilized for visible photodetections.

Ultrafast transient photocarrier dynamics of the bulk-insulating topological insulator B i1.5S b0.5T e1.7S e1.3

NASA Astrophysics Data System (ADS)

Choi, Young Gwan; Zhung, Chan June; Park, Sun-Hee; Park, Joonbum; Kim, Jun Sung; Kim, Seongheun; Park, Jaehun; Lee, J. S.

2018-02-01

Using optical-pump terahertz-probe spectroscopy, we investigated an ultrafast photocarrier relaxation behavior in a B i1.5S b0.5T e1.7S e1.3 (BSTS) single crystal, which is one of the most bulk-insulating topological insulators. Compared to n -type bulk-metallic B i2S e3 , we found that BSTS endows distinct behaviors in its photocarrier dynamics; the relaxation time turns out to be an order of magnitude longer, and the transient conductance spectrum exhibits a nonlinear increase as a function of the pumping power. Also, we observed an abrupt reduction of the photocarrier scattering rate in several picoseconds after the initial photoexcitation. We discuss these intriguing experimental observations based on a bulk-to-surface carrier injection assisted by the built-in electric field near the surface and electron-phonon scattering.

Foamed Bulk Metallic Glass (Foam) Investigation

NASA Technical Reports Server (NTRS)

2004-01-01

This soldering iron has an evacuated copper capsule at the tip that contains a pellet of Bulk Metallic Glass (BMG) aboard the International Space Station (ISS). Prior to flight, researchers sealed a pellet of bulk metallic glass mixed with microscopic gas-generating particles into the copper ampoule under vacuum. Once heated in space, such as in this photograph, the particles generated gas and the BMG becomes a viscous liquid. The released gas made the sample foam within the capsule where each microscopic particle formed a gas-filled pore within the foam. The inset image shows the oxidation of the sample after several minutes of applying heat. Although hidden within the brass sleeve, the sample retained the foam shape when cooled, because the viscosity increased during cooling until it was solid.

Mixed system of Eudragit s-100 with a designed amphipathic peptide: control of interfacial elasticity by solution composition.

PubMed

Dexter, Annette F; Malcolm, Andrew S; Zeng, Biyun; Kennedy, Debora; Middelberg, Anton P J

2008-04-01

We report an interfacially active system based on an informational peptide surfactant mixed with an oppositely charged polyelectrolyte. The 21-residue cationic peptide, AM1, has previously been shown to respond reversibly to pH and metal ions at fluid interfaces, forming elastic films that can be rapidly switched to collapse foams or emulsions on demand. Here we report the reversible association of AM1 with the methacrylate-based anionic polymer Eudragit S-100. The strength of the association, in bulk aqueous solution, is modulated by added metal ions and by ionic strength. Addition of zinc ions to the peptide-polymer system promotes complex formation and phase separation, while addition of a chelating agent reverses the association. The addition of salt weakens peptide-polymer interactions in the presence or absence of zinc. At the air-water interface, Eudragit S-100 forms an elastic mixed film with AM1 in the absence of metal, under conditions where the peptide alone does not show interfacial elasticity. When zinc is present, the elasticity of the mixed film is increased, but the rate of interfacial adsorption slows due to formation of peptide-polymer complexes in bulk solution. An understanding of these interactions can be used to identify favorable foam-forming conditions in the mixed system.

Microgravity Outreach with Math Teachers

NASA Technical Reports Server (NTRS)

2000-01-01

Pat Doty (right) of NASA/Marshall Space Flight Center (MSFC) demonstrates the greater bounce to the ounce of metal made from a supercooled bulk metallic glass alloy that NASA is studying in space expepriments. The metal plates at the bottom of plexiglass tubes are made of three different types of metal. Bulk mettalic glass is more resilient and, as a result, the dropped ball bearing bounces higher. Experiments in space allow scientists to study fundamental properties that carnot be observed on Earth. This demonstration was at the April 2000 conference of the National Council of Teachers of Mathematics (NCTM) in Chicago. Photo credit: NASA/Marshall Space Flight Center (MSFC)

Effective temperature dynamics of shear bands in metallic glasses

NASA Astrophysics Data System (ADS)

Daub, Eric G.; Klaumünzer, David; Löffler, Jörg F.

2014-12-01

We study the plastic deformation of bulk metallic glasses with shear transformation zone (STZ) theory, a physical model for plasticity in amorphous systems, and compare it with experimental data. In STZ theory, plastic deformation occurs when localized regions rearrange due to applied stress and the density of these regions is determined by a dynamically evolving effective disorder temperature. We compare the predictions of STZ theory to experiments that explore the low-temperature deformation of Zr-based bulk metallic glasses via shear bands at various thermal temperatures and strain rates. By following the evolution of effective temperature with time, strain rate, and temperature through a series of approximate and numerical solutions to the STZ equations, we successfully model a suite of experimentally observed phenomena, including shear-band aging as apparent from slide-hold-slide tests, a temperature-dependent steady-state flow stress, and a strain-rate- and temperature-dependent transition from stick-slip (serrated flow) to steady-sliding (nonserrated flow). We find that STZ theory quantitatively matches the observed experimental data and provides a framework for relating the experimentally measured energy scales to different types of atomic rearrangements.

Field isotopic study of lead fate and compartmentalization in earthworm-soil-metal particle systems for highly polluted soil near Pb recycling factory.

PubMed

Goix, Sylvaine; Mombo, Stéphane; Schreck, Eva; Pierart, Antoine; Lévêque, Thibaut; Deola, Frédéric; Dumat, Camille

2015-11-01

Earthworms are important organisms in soil macrofauna and play a key role in soil functionality, and consequently in terrestrial ecotoxicological risk assessments. Because they are frequently observed in soils strongly polluted by metals, the influence of earthworm bioturbation on Pb fate could therefore be studied through the use of Pb isotopes. Total Pb concentrations and isotopic composition ((206)Pb, (207)Pb and (208)Pb) were then measured in earthworms, casts and bulk soils sampled at different distance from a lead recycling factory. Results showed decreasing Pb concentrations with the distance from the factory whatever the considered matrix (bulk soils, earthworm bodies or cast samples) with higher concentrations in bulk soils than in cast samples. The bivariate plot (208)Pb/(206)Pb ratios versus (206)Pb/(207)Pb ratios showed that all samples can be considered as a linear mixing between metallic process particulate matter (PM) and geochemical Pb background. Calculated anthropogenic fraction of Pb varied between approximately 84% and 100%. Based on Pb isotopic signatures, the comparison between casts, earthworms and bulk soils allowed to conclude that earthworms preferentially ingest the anthropogenic lead fraction associated with coarse soil organic matter. Actually, soil organic matter was better correlated with Pb isotopic ratios than with Pb content in soils. The proposed hypothesis is therefore a decrease of soil organic matter turnover due to Pb pollution with consequences on Pb distribution in soils and earthworm exposure. Finally, Pb isotopes analysis constitutes an efficient tool to study the influence of earthworm bioturbation on Pb cycle in polluted soils. Copyright © 2015 Elsevier Ltd. All rights reserved.

A Zr-based bulk metallic glass for future stent applications: Materials properties, finite element modeling, and in vitro human vascular cell response.

PubMed

Huang, Lu; Pu, Chao; Fisher, Richard K; Mountain, Deidra J H; Gao, Yanfei; Liaw, Peter K; Zhang, Wei; He, Wei

2015-10-01

Despite the prevalent use of crystalline alloys in current vascular stent technology, new biomaterials are being actively sought after to improve stent performance. In this study, we demonstrated the potential of a Zr-Al-Fe-Cu bulk metallic glass (BMG) to serve as a candidate stent material. The mechanical properties of the Zr-based BMG, determined under both static and cyclic loadings, were characterized by high strength, which would allow for the design of thinner stent struts to improve stent biocompatibility. Finite element analysis further complemented the experimental results and revealed that a stent made of the Zr-based BMG was more compliant with the beats of a blood vessel, compared with medical 316L stainless steel. The Zr-based BMG was found to be corrosion resistant in a simulated body environment, owing to the presence of a highly stable ZrO2-rich surface passive film. Application-specific biocompatibility studies were conducted using human aortic endothelial cells and smooth muscle cells. The Zr-Al-Fe-Cu BMG was found to support stronger adhesion and faster coverage of endothelial cells and slower growth of smooth muscle cells than 316L stainless steel. These results suggest that the Zr-based BMG could promote re-endothelialization and potentially lower the risk of restenosis, which are critical to improve vascular stent implantation integration. In general, findings in this study raised the curtain for the potential application of BMGs as future candidates for stent applications. Vascular stents are medical devices typically used to restore the lumen of narrowed or clogged blood vessel. Despite the clinical success of metallic materials in stent-assisted angioplasty, post-surgery complications persist due to the mechanical failures, corrosion, and in-stent restenosis of current stents. To overcome these hurdles, strategies including new designs and surface functionalization have been exercised. In addition, the development of new materials with higher performance and biocompatibility can intrinsically reduce stent failure rates. The present study demonstrates the advantages of a novel material, named bulk metallic glass (BMG), over the benchmarked 316L stainless steel through experimental methods and computational simulations. It raises the curtain of new research endeavors on BMGs as competitive alternatives for stent applications. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Metal-Insulator Transitions in Epitaxial LaVO(3) and LaTiO(3) Films

DTIC Science & Technology

2012-08-01

epitaxial films of LaVO3 and LaTiO3 can exhibit metallicity though their bulk counterparts are Mott insulators. When LaTiO3 films are compressively...secondarily to interface electronic reconstruction at the LaTiO3 /SrTiO3 interface. However, when LaVO3 films are compressively strained on SrTiO3...ABSTRACT We have demonstrated that epitaxial films of LaVO3 and LaTiO3 can exhibit metallicity though their bulk counterparts are Mott insulators. When

High-rate squeezing process of bulk metallic glasses

PubMed Central

Fan, Jitang

2017-01-01

High-rate squeezing process of bulk metallic glasses from a cylinder into an intact sheet achieved by impact loading is investigated. Such a large deformation is caused by plastic flow, accompanied with geometrical confinement, shear banding/slipping, thermo softening, melting and joining. Temperature rise during the high-rate squeezing process makes a main effect. The inherent mechanisms are illustrated. Like high-pressure torsion (HPT), equal channel angular pressing (ECAP) and surface mechanical attrition treatments (SMAT) for refining grain of metals, High-Rate Squeezing (HRS), as a multiple-functions technique, not only creates a new road of processing metallic glasses and other metallic alloys for developing advanced materials, but also directs a novel technology of processing, grain refining, coating, welding and so on for treating materials. PMID:28338092

High-rate squeezing process of bulk metallic glasses

NASA Astrophysics Data System (ADS)

Fan, Jitang

2017-03-01

High-rate squeezing process of bulk metallic glasses from a cylinder into an intact sheet achieved by impact loading is investigated. Such a large deformation is caused by plastic flow, accompanied with geometrical confinement, shear banding/slipping, thermo softening, melting and joining. Temperature rise during the high-rate squeezing process makes a main effect. The inherent mechanisms are illustrated. Like high-pressure torsion (HPT), equal channel angular pressing (ECAP) and surface mechanical attrition treatments (SMAT) for refining grain of metals, High-Rate Squeezing (HRS), as a multiple-functions technique, not only creates a new road of processing metallic glasses and other metallic alloys for developing advanced materials, but also directs a novel technology of processing, grain refining, coating, welding and so on for treating materials.

NMR signature of evolution of ductile-to-brittle transition in bulk metallic glasses.

PubMed

Yuan, C C; Xiang, J F; Xi, X K; Wang, W H

2011-12-02

The mechanical properties of monolithic metallic glasses depend on the structures at atomic or subnanometer scales, while a clear correlation between mechanical behavior and structures has not been well established in such amorphous materials. In this work, we find a clear correlation of (27)Al NMR isotropic shifts with a microalloying induced ductile-to-brittle transition at ambient temperature in bulk metallic glasses, which indicates that the (27)Al NMR isotropic shift can be regarded as a structural signature to characterize plasticity for this metallic glass system. The study provides a compelling approach for investigating and understanding the mechanical properties of metallic glasses from the point of view of electronic structure. © 2011 American Physical Society

High-rate squeezing process of bulk metallic glasses.

PubMed

Fan, Jitang

2017-03-24

High-rate squeezing process of bulk metallic glasses from a cylinder into an intact sheet achieved by impact loading is investigated. Such a large deformation is caused by plastic flow, accompanied with geometrical confinement, shear banding/slipping, thermo softening, melting and joining. Temperature rise during the high-rate squeezing process makes a main effect. The inherent mechanisms are illustrated. Like high-pressure torsion (HPT), equal channel angular pressing (ECAP) and surface mechanical attrition treatments (SMAT) for refining grain of metals, High-Rate Squeezing (HRS), as a multiple-functions technique, not only creates a new road of processing metallic glasses and other metallic alloys for developing advanced materials, but also directs a novel technology of processing, grain refining, coating, welding and so on for treating materials.

Interfacial Metal-Oxide Interactions in Resistive Switching Memories.

PubMed

Cho, Deok-Yong; Luebben, Michael; Wiefels, Stefan; Lee, Kug-Seung; Valov, Ilia

2017-06-07

Metal oxides are commonly used as electrolytes for redox-based resistive switching memories. In most cases, non-noble metals are directly deposited as ohmic electrodes. We demonstrate that irrespective of bulk thermodynamics predictions an intermediate oxide film a few nanometers in thickness is always formed at the metal/insulator interface, and this layer significantly contributes to the development of reliable switching characteristics. We have tested metal electrodes and metal oxides mostly used for memristive devices, that is, Ta, Hf, and Ti and Ta 2 O 5 , HfO 2 , and SiO 2 . Intermediate oxide layers are always formed at the interfaces, whereas only the rate of the electrode oxidation depends on the oxygen affinity of the metal and the chemical stability of the oxide matrix. Device failure is associated with complete transition of short-range order to a more disordered main matrix structure.

X-Ray Absorption Spectroscopy of Electrochemically Generated Species

DTIC Science & Technology

1993-02-01

that is a modification of our previously reported design (17) with reticulated vitreous carbon (RVC) as the working electrode. A peristaltic pump...and a flowing analyte stream. A packed carbon -bed bulk electrolysis cell generates the desired metal oxidation state. Completa oxidation and...packed carbon -bed bulk electrolysis cell generates the desired metal oxidation state. The system consists of a closed loop of electrolyte solution

Excitation and decay of aluminum bulk plasmons at the aluminum/copper phthalocyanine interface

NASA Astrophysics Data System (ADS)

Di Filippo, Gianluca; Sbroscia, Marco; Stefani, Giovanni; Bartynski, Robert A.; Ruocco, Alessandro

2018-06-01

We present the results of an experiment aimed at studying the archetypal properties of the aluminum bulk plasmon at an organic/metal interface. Electron-electron coincidence spectroscopy is used to determine the contribution of aluminum bulk plasmon decay to the ionization of a thin copper phthalocyanine film. The latter directly depends on the amplitude of the bulk plasmon electric field (generated in the metal substrate) protruding inside the molecular overlayer. The emission of low-energy electrons from the clean substrate is dominated by plasmon-assisted ionization events. These events are not observed when the molecules are adsorbed onto the surface. Our findings suggest that, for the considered system, the bulk plasmon wave is confined within the medium in which it is generated and the interaction of the plasmon field with electrons located in the molecular overlayer does not lead to the emission of low-energy electrons.

Noble metals in ferromanganese crusts from marginal seas of the Northwest Pacific

NASA Astrophysics Data System (ADS)

Astakhova, N. V.

2017-07-01

Based on data on the concentration of noble metals (Au, Ag, Pt, Os, Ir, and Ru) in bulk samples of ferromanganese crusts, the presence of inclusions of micro- and nanosized grains of Ag, Au, Pd, and Pt, often with impurities of other elements, as well as their chaotic distribution, three sources of incorporation of these metals into ore crusts of Far Eastern seas are suggested: seawater, postvolcanic gas-hydrothermal fluids, and hydrothermal plumes. The presence of grains of platinoids and gold in ferromanganese crusts on only some mounts may result from peculiarities in the formation of volcanic rocks on the ancient continental basement.

Computer simulation of metal wire explosion under high rate heating

NASA Astrophysics Data System (ADS)

Zolnikov, K. P.; Kryzhevich, D. S.; Korchuganov, A. V.

2017-05-01

Synchronous electric explosion of metal wires and synthesis of bicomponent nanoparticles were investigated on the base of molecular dynamics method. Copper and nickel nanosized crystallites of cylindrical shape were chosen as conductors for explosion. The embedded atom approximation was used for calculation of the interatomic interactions. The agglomeration process after explosion metal wires was the main mechanism for particle synthesis. The distribution of chemical elements was non-uniform over the cross section of the bicomponent particles. The copper concentration in the surface region was higher than in the bulk of the synthesized particle. By varying the loading parameters (heating temperature, the distance between the wires) one can control the size and internal structure of the synthesized bicomponent nanoparticles. The obtained results showed that the method of molecular dynamics can be effectively used to determine the optimal technological mode of nanoparticle synthesis on the base of electric explosion of metal wires.

Comparative study of the compensated semi-metals LaBi and LuBi: a first-principles approach.

PubMed

Dey, Urmimala

2018-05-23

We have investigated the electronic structures of LaBi and LuBi, employing the full-potential all electron method as implemented in Wien2k. Using this, we have studied in detail both the bulk and the surface states of these materials. From our band structure calculations we find that LuBi, like LaBi, is a compensated semi-metal with almost equal and sizable electron and hole pockets. In analogy with experimental evidence in LaBi, we thus predict that LuBi will also be a candidate for extremely large magneto-resistance (XMR), which should be of immense technological interest. Our calculations reveal that LaBi, despite being gapless in the bulk spectrum, displays the characteristic features of a [Formula: see text] topological semi-metal, resulting in gapless Dirac cones on the surface, whereas LuBi only shows avoided band inversion in the bulk and is thus a conventional compensated semi-metal with extremely large magneto-resistance.

Comparative study of the compensated semi-metals LaBi and LuBi: a first-principles approach

NASA Astrophysics Data System (ADS)

Dey, Urmimala

2018-05-01

We have investigated the electronic structures of LaBi and LuBi, employing the full-potential all electron method as implemented in Wien2k. Using this, we have studied in detail both the bulk and the surface states of these materials. From our band structure calculations we find that LuBi, like LaBi, is a compensated semi-metal with almost equal and sizable electron and hole pockets. In analogy with experimental evidence in LaBi, we thus predict that LuBi will also be a candidate for extremely large magneto-resistance (XMR), which should be of immense technological interest. Our calculations reveal that LaBi, despite being gapless in the bulk spectrum, displays the characteristic features of a topological semi-metal, resulting in gapless Dirac cones on the surface, whereas LuBi only shows avoided band inversion in the bulk and is thus a conventional compensated semi-metal with extremely large magneto-resistance.

Spectroscopic Visualization of Inversion and Time-Reversal Symmetry Breaking Weyl Semi-metals

NASA Astrophysics Data System (ADS)

Beidenkopf, Haim

A defining property of a topological material is the existence of surface bands that cannot be realized but as the termination of a topological bulk. In a Weyl semi-metal these surface states are in the form of Fermi-arcs. Their open-contour Fermi-surface curves between pairs of surface projections of bulk Weyl cones. Such Dirac-like bulk bands, as opposed to the gapped bulk of topological insulators, land a unique opportunity to examine the deep notion of bulk to surface correspondence. We study the intricate properties both of inversion symmetry broken and of time-reversal symmetry broken Weyl semimetals using scanning tunneling spectroscopy. We visualize the Fermi arc states on the surface of the non-centrosymmetric Weyl semi-metal TaAs. Using the distinct structure and spatial distribution of the wavefunctions associated with the different topological and trivial bands we detect the scattering processes that involve Fermi arcs. Each of these imaged scattering processes entails information on the unique nature of Fermi arcs and their correspondence to the topological bulk. We further visualize the magnetic response of the candidate magnetic Weyl semimetal GdPtBi in which the magnetic order parameter is coupled to the topological classification. European Research Council (ERC-StG no. 678702, TOPO-NW\\x9D), the Israel Science Foundation (ISF), and the United States-Israel Binational Science Foundation (BSF).

Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles

DOE PAGES

Escorihuela, Laura; Fernández, Alberto; Rallo, Robert; ...

2017-07-20

The solubility of metal oxides is one of the key descriptors for the evaluation of their potential toxic effects, both in the bulk form and in nanoparticulated aggregates. This work presents a new methodology for the in silico assessment of the solubility of metal oxides, which is demonstrated using a well-studied system, ZnO. The calculation of the solubility is based on statistical thermodynamics tools combined with Density Functional Tight Binding theory for the evaluation of the free energy exchange during the dissolution process. We used models of small ZnO clusters to describe the final dissolved material, since the complete ionicmore » dissolution of ZnO is hindered by the formation of O 2- anions in solution, which are highly unstable. Results show very good agreement between the computed solubility values and experimental data for ZnO bulk, up to 0.5 mg L -1 and equivalents of 50 μg L -1 for the free Zn 2+ cation in solution. However, the reference model for solid nanoparticles formed by free space nanoparticles can only give a limited quantitative solubility evaluation for ZnO nanoparticles.« less

Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles

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

Escorihuela, Laura; Fernández, Alberto; Rallo, Robert

The solubility of metal oxides is one of the key descriptors for the evaluation of their potential toxic effects, both in the bulk form and in nanoparticulated aggregates. Current work presents a new methodology for the in silico assessment of the solubility of metal oxides, which is demonstrated using a well-studied system, ZnO. The calculation of the solubility is based on statistical thermodynamics tools combined with Density Functional Tight Binding theory for the evaluation of the free energy exchange during the dissolution process. Models of small ZnO clusters are used for describing the final dissolved material, since the complete ionicmore » dissolution of ZnO is hindered by the formation of O2- anions in solution, which are highly unstable. Results show very good agreement between the computed solubility values and experimental data for ZnO bulk, up to 0.5 mg·L-1 and equivalents of 50 g·L-1 for the free Zn2+ cation in solution. However, the reference model for solid nanoparticles formed by free space nanoparticles can only give a limited quantitative solubility evaluation for ZnO nanoparticles.« less

Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles

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

Escorihuela, Laura; Fernández, Alberto; Rallo, Robert

The solubility of metal oxides is one of the key descriptors for the evaluation of their potential toxic effects, both in the bulk form and in nanoparticulated aggregates. This work presents a new methodology for the in silico assessment of the solubility of metal oxides, which is demonstrated using a well-studied system, ZnO. The calculation of the solubility is based on statistical thermodynamics tools combined with Density Functional Tight Binding theory for the evaluation of the free energy exchange during the dissolution process. We used models of small ZnO clusters to describe the final dissolved material, since the complete ionicmore » dissolution of ZnO is hindered by the formation of O 2- anions in solution, which are highly unstable. Results show very good agreement between the computed solubility values and experimental data for ZnO bulk, up to 0.5 mg L -1 and equivalents of 50 μg L -1 for the free Zn 2+ cation in solution. However, the reference model for solid nanoparticles formed by free space nanoparticles can only give a limited quantitative solubility evaluation for ZnO nanoparticles.« less

Comparison of Structural Relaxation Behavior in As-Cast and Pre-Annealed Zr-Based Bulk Metallic Glasses Just below Glass Transition

DOE PAGES

Haruyama, Osami; Yoshikawa, Kazuyoshi; Yamazaki, Yoshikatsu; ...

2015-04-25

In this paper, the α-relaxation of pre-annealed Zr 55Cu 30Ni 5Al 10 bulk metallic glasses (BMGs) was compared with that of as-cast Zr-based BMGs including Zr 55Cu 30Ni 5Al 10. The α-relaxation was investigated by volume relaxation. The relaxation behavior was well described by a stretched exponential relaxation function, Φ (t) ≈ exp [ - (t/τ α ) β α ], with the isothermal relaxation time, τ α, and the Kohlrausch exponent, β α. The β α exhibited the strong temperature dependence for the pre-annealed BMG, while the weak temperature dependence was visualized for the as-cast BMG similar to themore » dynamic relaxation. The τ α’s were modified by Moynihan and Narayanaswamy-Tool-Moynihan methods that reduce the difference in the thermal history of sample. Finally, as a result, the relaxation kinetics in the glass resembled that of a liquid deduced from the behavior of viscosity in the supercooled liquid.« less

Thermoplastic deformation of ferromagnetic CoFe-based bulk metallic glasses

NASA Astrophysics Data System (ADS)

Wu, Chenguang; Hu, Renchao; Man, Qikui; Chang, Chuntao; Wang, Xinmin

2017-12-01

The superplastic deformation behavior of the ferromagnetic Co31Fe31Nb8B30 bulk metallic glass (BMG) in the supercooled liquid region was investigated. At a given temperature, the BMG exhibits a Newtonian behavior at low strain rates but a non-Newtonian behavior at high strain rates. The high thermal stability of this glassy alloy system offers an enough processing window to thermoplastic forming (TPF), and the strong processing ability was examined by simple micro-replication experiments. It is demonstrated that the TPF formability on length scales ranging down to nanometers can be achieved in the selected experimental condition. Based on the analysis of deformation behavior, the nearly full density sample (i.e. nearly 100%), was produced from water-atomized glassy powders and consolidated by the hot-pressing technique. The sample exhibits good soft-magnetic and mechanical properties, i.e., low coercive force of 0.43 Oe, high initial permeability of 4100 and high Vickers hardness 1398. These results suggest that the hot-pressing process opens up possibilities for the commercial exploitation of BMGs in engineering applications.

Comparative toxicity of several metal oxide nanoparticle aqueous suspensions to Zebrafish (Danio rerio) early developmental stage.

PubMed

Zhu, Xiaoshan; Zhu, Lin; Duan, Zhenghua; Qi, Ruiqi; Li, Yan; Lang, Yupeng

2008-02-15

With the emergence of manufactured nanomaterials, it is urgent to carry out researches on their potential environmental impacts and biological effects. To better understand the potential ecotoxicological impacts of metal oxide nanoparticles released to aquatic environments, the zebrafish 96-h embryo-larval bioassay was used to assess and compare the developmental toxicities of nanoscale zinc oxide (nZnO), titanium dioxide (nTiO(2)) and alumina (nAl(2)O(3)) aqueous suspensions. Toxicological endpoints such as zebrafish embryos or larvae survival, hatching rate and malformation were noted and described within 96 h of exposure. Meanwhile, a comparative experiment with their bulk counterparts (i.e., ZnO/bulk, TiO(2)/bulk and Al(2)O(3)/bulk) was conducted to understand the effect of particle size on their toxicities. The results showed that: (i) both nZnO and ZnO/bulk aqueous suspensions delayed zebrafish embryo and larva development, decreased their survival and hatching rates, and caused tissue damage. The 96-h LC(50) of nZnO and ZnO/bulk aqueous suspensions on the zebrafish survival are 1.793 mg/L and 1.550 mg/L respectively; and the 84-h EC(50) on the zebrafish embryo hatching rate are 2.065 mg/L and 2.066 mg/L respectively. Serious tissue ulceration was found on zebrafish larvae exposed to nZnO and ZnO/bulk aqueous suspensions. (ii) In contrast, neither nTiO(2) and TiO(2)/bulk nor nAl(2)O(3) and Al(2)O(3)/bulk showed any toxicity to zebrafish embryos and larvae under the same experimental condition. It revealed that the metal oxide nanoparticles with different chemical composition have different zebrafish developmental toxicities. (iii) Exposures of nTiO(2), nZnO and nAl(2)O(3) produced toxic effects on zebrafish embryos and larvae, which was not different from the effects caused by exposing to their bulk counterparts. This is the first study about the developmental toxicity of metal oxide nanoparticles, and the results demonstrate that nZnO is very toxic to zebrafish embryos and larvae, which highlights the need to evaluate the potential eco-toxicity of these manufactured nanomaterials (MNMs).

Amorphous and nanocrystalline luminescent Si and Ge obtained via a solid-state chemical metathesis synthesis route

NASA Astrophysics Data System (ADS)

McMillan, Paul F.; Gryko, Jan; Bull, Craig; Arledge, Richard; Kenyon, Anthony J.; Cressey, Barbara A.

2005-03-01

A new solid-state metathesis synthesis route was applied to obtain bulk samples of amorphous or microcrystalline Si and Ge. The method involves reaction of Zintl phases such as NaSi or NaGe, with ammonium or metal (e.g., CuCl, CoBr 2) halides. The driving force for the solid-state reaction is provided by the formation of alkali halides and the transition metals or metal silicides, or gaseous ammonia and hydrogen. The semiconductors were purified by washing to remove other solid products. The amorphous semiconductors were obtained in bulk form from reactions carried out at 200-300 °C. Syntheses at higher temperatures gave rise to microcrystalline semiconductors, or to micro-/nanocrystalline particles contained within the amorphous material. Similar crystalline/amorphous composites were obtained after heat treatment of bulk amorphous materials.

Amorphous SiC as a structural layer in microbridge-based RF MEMS switches for use in software-defined radio

NASA Astrophysics Data System (ADS)

Parro, Rocco J.; Scardelletti, Maximilian C.; Varaljay, Nicholas C.; Zimmerman, Sloan; Zorman, Christian A.

2008-10-01

This paper reports an effort to develop amorphous silicon carbide (a-SiC) films for use in shunt capacitor RF MEMS microbridge-based switches. The films were deposited using methane and silane as the precursor gases. Switches were fabricated using 500 nm and 300 nm-thick a-SiC films to form the microbridges. Switches made from metallized 500 nm-thick SiC films exhibited favorable mechanical performance but poor RF performance. In contrast, switches made from metallized 300 nm-thick SiC films exhibited excellent RF performance but poor mechanical performance. Load-deflection testing of unmetallized and metallized bulk micromachined SiC membranes indicates that the metal layers have a small effect on the Young's modulus of the 500 nm and 300 nm-thick SiC MEMS. As for residual stress, the metal layers have a modest effect on the 500 nm-thick structures, but a significant affect on the residual stress in the 300 nm-thick structures.

General and Direct Method for Preparing Oligonucleotide-Functionalized Metal-Organic Framework Nanoparticles.

PubMed

Wang, Shunzhi; McGuirk, C Michael; Ross, Michael B; Wang, Shuya; Chen, Pengcheng; Xing, Hang; Liu, Yuan; Mirkin, Chad A

2017-07-26

Metal-organic frameworks (MOFs) are a class of modular, crystalline, and porous materials that hold promise for storage and transport of chemical cargoes. Though MOFs have been studied in bulk forms, ways of deliberately manipulating the external surface functionality of MOF nanoparticles are less developed. A generalizable approach to modify their surfaces would allow one to impart chemical functionality onto the particle surface that is independent of the bulk MOF structure. Moreover, the use of a chemically programmable ligand, such as DNA, would allow for the manipulation of interparticle interactions. Herein, we report a coordination chemistry-based strategy for the surface functionalization of the external metal nodes of MOF nanoparticles with terminal phosphate-modified oligonucleotides. The external surfaces of nine distinct archetypical MOF particles containing four different metal species (Zr, Cr, Fe, and Al) were successfully functionalized with oligonucleotides, illustrating the generality of this strategy. By taking advantage of the programmable and specific interactions of DNA, 11 distinct MOF particle-inorganic particle core-satellite clusters were synthesized. In these hybrid nanoclusters, the relative stoichiometry, size, shape, and composition of the building blocks can all be independently controlled. This work provides access to a new set of nucleic acid-nanoparticle conjugates, which may be useful as programmable material building blocks and as probes for measuring and manipulating intracellular processes.

Ductile Damage and Fatigue Behavior of Semi-Finished Tailored Blanks for Sheet-Bulk Metal Forming Processes

NASA Astrophysics Data System (ADS)

Besserer, Hans-Bernward; Hildenbrand, Philipp; Gerstein, Gregory; Rodman, Dmytro; Nürnberger, Florian; Merklein, Marion; Maier, Hans Jürgen

2016-03-01

To produce parts from sheet metal with thickened functional elements, bulk forming operations can be employed. For this new process class, the term sheet-bulk metal forming has been established recently. Since sheet-bulk metal forming processes such as orbital forming generates triaxial stress and strain states, ductile damage is induced in the form of voids in the microstructure. Typical parts will experience cyclic loads during service, and thus, the influence of ductile damage on the fatigue life of parts manufactured by orbital forming is of interest. Both the formation and growth of voids were characterized following this forming process and then compared to the as-received condition of the ferritic deep drawing steel DC04 chosen for this study. Subsequent to the forming operation, the specimens were fatigued and the evolution of ductile damage and the rearrangement of the dislocation networks occurring during cyclic loading were determined. It was shown, that despite an increased ductile damage due to the forming process, the induced strain hardening has a positive effect on the fatigue life of the material. However, by analyzing the fatigued specimens a development of the ductile damage by an increasing number of voids and a change in the void shape were detected.

Graphene-based topological insulator with an intrinsic bulk band gap above room temperature.

PubMed

Kou, Liangzhi; Yan, Binghai; Hu, Feiming; Wu, Shu-Chun; Wehling, Tim O; Felser, Claudia; Chen, Changfeng; Frauenheim, Thomas

2013-01-01

Topological insulators (TIs) represent a new quantum state of matter characterized by robust gapless states inside the insulating bulk gap. The metallic edge states of a two-dimensional (2D) TI, known as the quantum spin Hall (QSH) effect, are immune to backscattering and carry fully spin-polarized dissipationless currents. However, existing 2D TIs realized in HgTe and InAs/GaSb suffer from small bulk gaps (<10 meV) well below room temperature, thus limiting their application in electronic and spintronic devices. Here, we report a new 2D TI comprising a graphene layer sandwiched between two Bi2Se3 slabs that exhibits a large intrinsic bulk band gap of 30-50 meV, making it viable for room-temperature applications. Distinct from previous strategies for enhancing the intrinsic spin-orbit coupling effect of the graphene lattice, the present graphene-based TI operates on a new mechanism of strong inversion between graphene Dirac bands and Bi2Se3 conduction bands. Strain engineering leads to effective control and substantial enhancement of the bulk gap. Recently reported synthesis of smooth graphene/Bi2Se3 interfaces demonstrates the feasibility of experimental realization of this new 2D TI structure, which holds great promise for nanoscale device applications.

Characterization, sorption, and exhaustion of metal oxide nanoparticles as metal adsorbents

NASA Astrophysics Data System (ADS)

Engates, Karen Elizabeth

Safe drinking water is paramount to human survival. Current treatments do not adequately remove all metals from solution, are expensive, and use many resources. Metal oxide nanoparticles are ideal sorbents for metals due to their smaller size and increased surface area in comparison to bulk media. With increasing demand for fresh drinking water and recent environmental catastrophes to show how fragile water supplies are, new approaches to water conservation incorporating new technologies like metal oxide nanoparticles should be considered as an alternative method for metal contaminant adsorbents from typical treatment methods. This research evaluated the potential of manufactured iron, anatase, and aluminum nanoparticles (Al2O3, TiO2, Fe2O3) to remove metal contaminants (Pb, Cd, Cu, Ni, Zn) in lab-controlled and natural waters in comparison to their bulk counterparts by focusing on pH, contaminant and adsorbent concentrations, particle size, and exhaustive capabilities. Microscopy techniques (SEM, BET, EDX) were used to characterize the adsorbents. Adsorption experiments were performed using 0.01, 0.1, or 0.5 g/L nanoparticles in pH 8 solution. When results were normalized by mass, nanoparticles adsorbed more than bulk particles but when surface area normalized the opposite was observed. Adsorption was pH-dependent and increased with time and solid concentration. Aluminum oxide was found to be the least acceptable adsorbent for the metals tested, while titanium dioxide anatase (TiO2) and hematite (alpha-Fe2O3) showed great ability to remove individual and multiple metals from pH 8 and natural waters. Intraparticle diffusion was likely part of the complex kinetic process for all metals using Fe2O3 but not TiO 2 nanoparticles within the first hour of adsorption. Adsorption kinetics for all metals tested were described by a modified first order rate equation used to consider the diminishing equilibrium metal concentrations with increasing metal oxides, showing faster adsorption rates for nanoparticles compared to bulk particles. Isotherms were best fit with most correlations of r=0.99 or better using the Langmuir-Freundlich equation which describes a heterogeneous surface with monolayer adsorption. Calculated rate constants and distribution coefficients (Kd) showed TiO2 nanoparticles were very good sorbents and more rapid in removing metals than other nanoparticles studied here and reported in the literature. Desorption studies concluded Pb, Cd, and Zn appear to be irreversibly sorbed to TiO2 surfaces at pH 8. TiO2 and Fe2O3 nanoparticles were capable of multiple metal loadings, with exhaustion for both adsorbents at pH 6. Exhaustion studies at pH 8 showed hematite exhausted after four consecutive cycles while anatase showed no exhaustion after 8 cycles. Their bulk counterparts exhausted in earlier cycles indicating the lack of ability to adsorb much of the multiple metals in solution. The increased surface area of TiO2 and Fe 2O3 nanoparticles, coupled with strong adsorption at the pH of most natural waters and resistance to desorption of some metals, may offer a potential remediation method for removal of metals from water in the future.

Method for forming solar cell materials from particulars

DOEpatents

Eberspacher, Chris; Pauls, Karen Lea

2001-01-01

Materials in bulk and film forms are prepared from fine particulate precursors such as single-phase, mixed-metal oxides; multi-phase, mixed-metal particles comprising a metal oxide; multinary metal particles; mixtures of such particles with other particles; and particulate materials intercalated with other materials.

High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I

DOE PAGES

Dolyniuk, Juli -Anna; Kovnir, Kirill

2016-08-12

Here, the high pressure properties of the novel tetrel-free clathrate, Ba 8Cu 13.1Zn 3.3P 29.6, were investigated using synchrotron powder X-ray diffraction. The pressure was applied using a diamond anvil cell. No structural transitions or decomposition were detected in the studied pressure range of 0.1–7 GPa. The calculated bulk modulus for Ba 8Cu 13.1Zn 3.3P 29.6 using a third-order Birch-Murnaghan equation of state is 65(6) GPa at 300 K. This bulk modulus is comparable to the bulk moduli of Ge- and Sn-based clathrates, like A 8Ga 16Ge 30 (A = Sr, Ba) and Sn 19.3Cu 4.7P 22I 8, but lowermore » than those for the transition metal-containing silicon-based clathrates, Ba 8 T xSi46–x, T = Ni, Cu; 3 ≤ x ≤ 5.« less

Genetically engineered peptides for inorganics: study of an unconstrained bacterial display technology and bulk aluminum alloy.

PubMed

Adams, Bryn L; Finch, Amethist S; Hurley, Margaret M; Sarkes, Deborah A; Stratis-Cullum, Dimitra N

2013-09-06

The first-ever peptide biomaterial discovery using an unconstrained engineered bacterial display technology is reported. Using this approach, we have developed genetically engineered peptide binders for a bulk aluminum alloy and use molecular dynamics simulation of peptide conformational fluctuations to demonstrate sequence-dependent, structure-function relationships for metal and metal oxide interactions. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamic Pressure Induced Transformation Toughening and Strengthening in Bulk Metallic Glasses

DTIC Science & Technology

2013-11-01

involved impact of 303 stainless steel flyer-plate on 303 stainless steel sample holder containing two BMGMC samples, at varying velocities. The Hugoniot...Technology. An aluminum sabot was used as the projectile with 303 Stainless Steel (SS) flyer plate to impact the DV1 bulk metallic glass composite. As...crystallization; polyamorphism; shear banding; high- strain -rate deformation REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 10. SPONSOR

Amorphous and nanocrystalline luminescent Si and Ge obtained via a solid-state chemical metathesis synthesis route

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

McMillan, Paul F.; Gryko, Jan; Bull, Craig

A new solid-state metathesis synthesis route was applied to obtain bulk samples of amorphous or microcrystalline Si and Ge. The method involves reaction of Zintl phases such as NaSi or NaGe, with ammonium or metal (e.g., CuCl, CoBr{sub 2}) halides. The driving force for the solid-state reaction is provided by the formation of alkali halides and the transition metals or metal silicides, or gaseous ammonia and hydrogen. The semiconductors were purified by washing to remove other solid products. The amorphous semiconductors were obtained in bulk form from reactions carried out at 200-300{sup o}C. Syntheses at higher temperatures gave rise tomore » microcrystalline semiconductors, or to micro-/nanocrystalline particles contained within the amorphous material. Similar crystalline/amorphous composites were obtained after heat treatment of bulk amorphous materials.« less

Effect of size on bulk and surface cohesion energy of metallic nano-particles

NASA Astrophysics Data System (ADS)

Yaghmaee, M. S.; Shokri, B.

2007-04-01

The knowledge of nano-material properties not only helps us to understand the extreme behaviour of small-scale materials better (expected to be different from what we observe from their bulk value) but also helps us to analyse and design new advanced functionalized materials through different nano technologies. Among these fundamental properties, the cohesion (binding) energy mainly describes most behaviours of materials in different environments. In this work, we discuss this fundamental property through a nano-thermodynamical approach using two algorithms, where in the first approach the size dependence of the inner (bulk) cohesion energy is studied, and in the second approach the surface cohesion energy is considered too. The results, which are presented through a computational demonstration (for four different metals: Al, Ga, W and Ag), can be compared with some experimental values for W metallic nano-particles.

An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

NASA Astrophysics Data System (ADS)

Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy; Klimeck, Gerhard

2014-03-01

Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales.

Characteristics and environmental aspects of slag: a review

USGS Publications Warehouse

Piatak, Nadine M.; Parsons, Michael B.; Seal, Robert R.

2015-01-01

The composition of ferrous slag is dominated by Ca and Si. Steel slag may contain significant Fe, whereas Mg and Al may be significant in Fe slag. Calcium-rich olivine-group silicates, melilite-group silicates that contain Al or Mg, Ca-rich glass, and oxides are the most commonly reported major phases in ferrous slag. Calcite and trace amounts of a variety of sulfides, intermetallic compounds, and pure metals are typically also present. The composition of non-ferrous slag, most commonly from base-metal production, is dominated by Fe and Si with significant but lesser amounts of Al and Ca. Silicates in the olivine, pyroxene, and melilite groups, as well as glass, spinels, and SiO2 (i.e., quartz and other polymorphs) are commonly found in non-ferrous slag. Sulfides and intermetallic compounds are less abundant than the silicates and oxides. The concentrations of some elements exceed generic USEPA soil screening levels for human contact based on multiple exposure pathways; these elements include Al, Cr, Cu, Fe, Mn, Pb, and Zn based on bulk chemical composition. Each slag type usually contains a specific suite of elements that may be of environmental concern. In general, non-ferrous slag may have a higher potential to negatively impact the environment compared to ferrous slag, and is thus a less attractive material for reuse, based on trace element chemistry, principally for base metals. However, the amount of elements released into the environment is not always consistent with bulk chemical composition. Many types of leaching tests have been used to help predict slag’s long-term environmental behavior. Overall, ferrous slags produce an alkaline leachate due to the dissolution of Ca oxides and silicates derived from compounds originally added as fluxing agents, such as lime. Ferrous slag leachate is commonly less metal-rich than leachate from non-ferrous slag generated during base metal extraction; the latter leachate may even be acidic due to the oxidation of sulfides. Because of its characteristics, ferrous slag is commonly used for construction and environmental applications, whereas both non-ferrous and ferrous slag may be reprocessed for secondary metal recovery. Both types of slag have been a source of some environmental contamination. Research into the environmental aspects of slag will continue to be an important topic whether the goal is its reuse, recycling, or remediation.

James C. McGroddy Prize Talk: Development and Applications of Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Inoue, Akihisa

2009-03-01

We realized, through detailed amorphous material investigations in the 1980's, that a number of metallic glassy alloys of multi-component La-, Mg- and Zr-based systems exhibit a large supercooled-liquid region prior to crystallization. The stabilization phenomenon of these supercooled liquid should enable us to fabricate, by slow cooling processes, bulk metallic glasses (BMGs) with critical diameters larger than several millimeters. Caltech's group also succeeded the fabrication of BMG in Zr-based alloy system in 1993. Since then, much attention has been paid to BMGs because of their novel characteristics in basic science and engineering aspects and new materials science and engineering fields have emerged for BMGs. Based on knowledge obtained thus far, we have successfully developed new BMGs with technologically-important transition metals, such as Zr-, Ti-, Fe-, Co-, Ni- and Cu-based alloys. Currently, the maximum diameter for glass formation reaches 30 mm for Zr- and Cu-based systems, 12 mm for Ti-based system, 18 mm for Fe-Co-based system and 20 mm for Ni-based system, even employing the copper mold casting technique. These large size BMGs possess nearly the same fundamental properties as those of the BMGs with smaller diameters. BMGs with diameters above 10 mm can be formed in Zr-Al-Ni-Cu system with Zr compositions higher than 65 at% and they exhibit excellent properties, such as high Poisson's ratio, high ductility, high fracture toughness, high fatigue strength and high stability of mechanical properties to annealing-induced embrittlement. The new Ti-based BMGs without allergic and toxic elements should exhibit good compatibility to bio-tissues. Applications of BMGs in Fe-, Co-, Ti- and Zr-based systems have advanced many devices including the following; choke coil, power inductor, electro magnetic shielding, magnetic and position sensors, micro-geared motor, pressure sensor, Coriolis flowmeter, surface coating layer, precise polishing medium, magnetic and structural parts in electric magnetic control-type spring drive watches, medical operation instruments and so forth. A. Inoue, Acta Mater., 48(2000), 279-306.

High Performance Amplifier Element Realization via MoS2/GaTe Heterostructures.

PubMed

Yan, Xiao; Zhang, David Wei; Liu, Chunsen; Bao, Wenzhong; Wang, Shuiyuan; Ding, Shijin; Zheng, Gengfeng; Zhou, Peng

2018-04-01

2D layered materials (2DLMs), together with their heterostructures, have been attracting tremendous research interest in recent years because of their unique physical and electrical properties. A variety of circuit elements have been made using mechanically exfoliated 2DLMs recently, including hard drives, detectors, sensors, and complementary metal oxide semiconductor field-effect transistors. However, 2DLM-based amplifier circuit elements are rarely studied. Here, the integration of 2DLMs with 3D bulk materials to fabricate vertical junction transistors with current amplification based on a MoS 2 /GaTe heterostructure is reported. Vertical junction transistors exhibit the typical current amplification characteristics of conventional bulk bipolar junction transistors while having good current transmission coefficients (α ∼ 0.95) and current gain coefficient (β ∼ 7) at room temperature. The devices provide new attractive prospects in the investigation of 2DLM-based integrated circuits based on amplifier circuits.

High Performance Amplifier Element Realization via MoS2/GaTe Heterostructures

PubMed Central

Yan, Xiao; Zhang, David Wei; Liu, Chunsen; Bao, Wenzhong; Wang, Shuiyuan; Ding, Shijin; Zheng, Gengfeng

2018-01-01

Abstract 2D layered materials (2DLMs), together with their heterostructures, have been attracting tremendous research interest in recent years because of their unique physical and electrical properties. A variety of circuit elements have been made using mechanically exfoliated 2DLMs recently, including hard drives, detectors, sensors, and complementary metal oxide semiconductor field‐effect transistors. However, 2DLM‐based amplifier circuit elements are rarely studied. Here, the integration of 2DLMs with 3D bulk materials to fabricate vertical junction transistors with current amplification based on a MoS2/GaTe heterostructure is reported. Vertical junction transistors exhibit the typical current amplification characteristics of conventional bulk bipolar junction transistors while having good current transmission coefficients (α ∼ 0.95) and current gain coefficient (β ∼ 7) at room temperature. The devices provide new attractive prospects in the investigation of 2DLM‐based integrated circuits based on amplifier circuits. PMID:29721428

Verilog-A Device Models for Cryogenic Temperature Operation of Bulk Silicon CMOS Devices

NASA Technical Reports Server (NTRS)

Akturk, Akin; Potbhare, Siddharth; Goldsman, Neil; Holloway, Michael

2012-01-01

Verilog-A based cryogenic bulk CMOS (complementary metal oxide semiconductor) compact models are built for state-of-the-art silicon CMOS processes. These models accurately predict device operation at cryogenic temperatures down to 4 K. The models are compatible with commercial circuit simulators. The models extend the standard BSIM4 [Berkeley Short-channel IGFET (insulated-gate field-effect transistor ) Model] type compact models by re-parameterizing existing equations, as well as adding new equations that capture the physics of device operation at cryogenic temperatures. These models will allow circuit designers to create optimized, reliable, and robust circuits operating at cryogenic temperatures.

Analytical theory and possible detection of the ac quantum spin Hall effect

DOE PAGES

Deng, W. Y.; Ren, Y. J.; Lin, Z. X.; ...

2017-07-11

Here, we develop an analytical theory of the low-frequency ac quantum spin Hall (QSH) effect based upon the scattering matrix formalism. It is shown that the ac QSH effect can be interpreted as a bulk quantum pumping effect. When the electron spin is conserved, the integer-quantized ac spin Hall conductivity can be linked to the winding numbers of the reflection matrices in the electrodes, which also equal to the bulk spin Chern numbers of the QSH material. Furthermore, a possible experimental scheme by using ferromagnetic metals as electrodes is proposed to detect the topological ac spin current by electrical means.

Investigation on charge transfer bands of Ce 4+ in Sr 2CeO 4 blue phosphor

NASA Astrophysics Data System (ADS)

Li, Ling; Zhou, Shihong; Zhang, Siyuan

2008-03-01

Bulk and nano-materials Sr2CeO4 were prepared by solid-state reaction and sol-gel technique, respectively. Photoluminescence shows that luminescence has the characteristic of a ligand-to-metal charge transfer (CT) emission. Compared with bulk Sr2CeO4, the nano-material exhibits stronger emission intensity, longer decay time, and higher CT excitation energy. Three CT excitation peaks were observed in both bulk and nano samples. Based on the theoretical calculations of the average energy gap of the chemical bond using the dielectric theory of complex crystal, the highest and the lowest energy CT bands were assigned to the transitions O1 → Ce4+ and O2 → Ce4+, respectively. The middle bands were due to the superposition of the transitions Ce-O1 and Ce-O2.

46 CFR 148.260 - Ferrous metal.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 5 2011-10-01 2011-10-01 false Ferrous metal. 148.260 Section 148.260 Shipping COAST... THAT REQUIRE SPECIAL HANDLING Special Requirements for Certain Materials § 148.260 Ferrous metal. (a... waters of United States. (b) Ferrous metal may not be stowed or transported in bulk unless the following...

Synchrotron x-ray scattering investigations of oxygen-induced nucleation in a Zr-based glass-forming alloy.

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

Wall, J. J.; Almer, J. D.; Vogel, S. C.

The metallic glass-forming alloy VIT-105 (Zr{sub 52.5}Cu{sub 17.9}Ni{sub 14.6}Al{sub 10}Ti{sub 5}) was used to study the effect of oxygen on nucleation. Ex situ synchrotron X-ray scattering experiments performed on as-cast samples showed that oxygen leads to the formation of tetragonal and/or cubic phases, depending on oxygen content. The samples crystallized into either a primitive tetragonal phase or the so-called fcc 'big cube' phase in a glassy matrix. A subsequent discussion on the role of oxygen in heterogeneous nucleation in Zr-based bulk metallic glasses is presented.

Does Diffusion Sequester Heavy Metals in Old Contamination Soils?

NASA Astrophysics Data System (ADS)

Ma, J.; Jennings, A. A.

2002-12-01

Old soil contamination refers to soil contamination that has aged over a long period of time. For example, at some brownfields, the soil heavy metal contamination can be one hundred or more years old. When contamination is young, the heavy metals are bound relatively weakly to the soil. However, the speciation and/or mechanisms of association evolve with aging into much more stable forms. It also appears that the metals migrate deeper into the bulk soil matrix where they are less available to participate in surface-related phenomena. Previous research showed elevated heavy metal extraction result after the soil was pulverized, with all other experiment conditions remaining unchanged. This indicates the presence of sequestered heavy metal contamination within the large soil particles (aggregate). The mechanisms of sequestering are uncertain, but diffusion appears to be a major factor. There are two possible pathways of diffusion that can account for heavy metal sequestering: solid-state diffusion through the bulk aggregate or liquid-phase diffusion through micro-pores within the aggregate structure. The second diffusion mechanism can be coupled with sorption (or other surface-related phenomena) on the pore walls. The remediation of sequestered heavy metals is also impacted by diffusion. Grinding a soil significantly reduces its average particle size. This exposes more of its internal bulk volume to extraction and results in much shorter diffusion pathway for the sequestered heavy metals to be released. Evidence has illustrated that this both improves remediation efficiency and provides a method by which the degree of sequestering can be quantified. This paper will present the results of ongoing research that is developing methods to identify the mechanisms of, quantify the magnitude of and determine the relative importance of (i.e. risk analysis) heavy metals sequestered in old contamination soils.

Separation of toxic metal ions, hydrophilic hydrocarbons, hydrophobic fuel and halogenated hydrocarbons and recovery of ethanol from a process stream

DOEpatents

Kansa, Edward J.; Anderson, Brian L.; Wijesinghe, Ananda M.; Viani, Brian E.

1999-01-01

This invention provides a process to tremendously reduce the bulk volume of contaminants obtained from an effluent stream produced subsurface remediation. The chemicals used for the subsurface remediation are reclaimed for recycling to the remediation process. Additional reductions in contaminant bulk volume are achieved by the ultra-violet light destruction of halogenated hydrocarbons, and the complete oxidation of hydrophobic fuel hydrocarbons and hydrophilic hydrocarbons. The contaminated bulk volume will arise primarily from the disposal of the toxic metal ions. The entire process is modular, so if there are any technological breakthroughs in one or more of the component process modules, such modules can be readily replaced.

Structural rejuvenation in bulk metallic glasses

DOE PAGES

Tong, Yang; Iwashita, T.; Dmowski, Wojciech; ...

2015-01-05

Using high-energy X-ray diffraction we study structural changes in bulk metallic glasses after uniaxial compressive homogeneous deformation at temperatures slightly below the glass transition. We observe that deformation results in structural disordering corresponding to an increase in the fictive, or effective, temperature. However, the structural disordering saturates after yielding. Lastly, examination of the experimental structure and molecular dynamics simulation suggests that local changes in the atomic connectivity network are the main driving force of the structural rejuvenation.

Structural rejuvenation in bulk metallic glasses

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

Tong, Yang; Iwashita, T.; Dmowski, Wojciech

Using high-energy X-ray diffraction we study structural changes in bulk metallic glasses after uniaxial compressive homogeneous deformation at temperatures slightly below the glass transition. We observe that deformation results in structural disordering corresponding to an increase in the fictive, or effective, temperature. However, the structural disordering saturates after yielding. Lastly, examination of the experimental structure and molecular dynamics simulation suggests that local changes in the atomic connectivity network are the main driving force of the structural rejuvenation.

Laboratory Evaluation of Remediation Alternatives for U.S. Coast Guard Small Arms Firing Ranges

DTIC Science & Technology

1999-11-01

S) is an immobilization process that involves the mixing of a contaminated soil with a binder material to enhance the physical and chemical...samples were shipped to WES for laboratory analysis. Phase III: Homogenization of the Bulk Samples. Each of the bulk samples was separately mixed to...produce uniform samples for testing. These mixed bulk soil samples were analyzed for metal content. Phase IV: Characterization of the Bulk Soils

Photoemission study of electronic structure of the half-metallic ferromagnet Co3Sn2S2

NASA Astrophysics Data System (ADS)

Holder, M.; Dedkov, Yu. S.; Kade, A.; Rosner, H.; Schnelle, W.; Leithe-Jasper, A.; Weihrich, R.; Molodtsov, S. L.

2009-05-01

Surface electronic structure of polycrystalline and single-crystalline samples of the half-metallic ferromagnet Co3Sn2S2 was studied by means of angle-resolved and core-level photoemissions. The experiments were performed in temperature regimes both above and below a Curie temperature of 176.9 K. The spectroscopic results are compared to local-spin density approximation band-structure calculations for the bulk samples. It is found that the surface sensitive experimental data are generally reproduced by the bulk computation suggesting that the theoretically predicted half-metallic properties of Co3Sn2S2 are retained at the surface.

Replication of surface features from a master model to an amorphous metallic article

DOEpatents

Johnson, William L.; Bakke, Eric; Peker, Atakan

1999-01-01

The surface features of an article are replicated by preparing a master model having a preselected surface feature thereon which is to be replicated, and replicating the preselected surface feature of the master model. The replication is accomplished by providing a piece of a bulk-solidifying amorphous metallic alloy, contacting the piece of the bulk-solidifying amorphous metallic alloy to the surface of the master model at an elevated replication temperature to transfer a negative copy of the preselected surface feature of the master model to the piece, and separating the piece having the negative copy of the preselected surface feature from the master model.

High density crystalline boron prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, C.L.

1993-08-31

Boron powder is hot isostatically pressed in a refractory metal container to produce a solid boron monolith with a bulk density at least 2.22 g/cc and up to or greater than 2.34 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed or chemical vapor deposited onto a powder compact. Hot isostatic pressing at 1,800 C and 30 PSI (206.8 MPa) argon pressure for four hours produces a bulk density of 2.34 g/cc. Complex shapes can be made.

High density crystalline boron prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, Clarence L.

1993-01-01

Boron powder is hot isostatically pressed in a refractory metal container to produce a solid boron monolith with a bulk density at least 2.22 g/cc and up to or greater than 2.34 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed or chemical vapor deposited onto a powder compact. Hot isostatic pressing at 1800.degree. C. and 30 KSI (206.8 MPa) argon pressure for four hours produces a bulk density of 2.34 g/cc. Complex shapes can be made.

High density-high purity graphite prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, Clarence L.

1994-01-01

Porous graphite in solid form is hot isostatically pressed in a refractory metal container to produce a solid graphite monolith with a bulk density greater than or equal to 2.10 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed, chemically vapor deposited, or coated by some other suitable means onto graphite. Hot isostatic pressing at 2200.degree. C. and 30 KSI (206.8 MPa) argon pressure for two hours produces a bulk density of 2.10 g/cc. Complex shapes can be made.

High density-high purity graphite prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, C.L.

1994-08-09

Porous graphite in solid form is hot isostatically pressed in a refractory metal container to produce a solid graphite monolith with a bulk density greater than or equal to 2.10 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed, chemically vapor deposited, or coated by some other suitable means onto graphite. Hot isostatic pressing at 2,200 C and 30 KSI (206.8 MPa) argon pressure for two hours produces a bulk density of 2.10 g/cc. Complex shapes can be made. 1 fig.

Helicopter Transmission Oil Discolouration

DTIC Science & Technology

2012-02-01

metal carboxylates which have varying solubilities in the bulk oil. These carboxylates will tend to concentrate with the purple precipitate. The metal ... carboxylates are not purple and form a benign component of the TRGB precipitate. These metal carboxylates were further characterised by FTIR as

Screen-Printed Electrodes Modified with “Green” Metals for Electrochemical Stripping Analysis of Toxic Elements

PubMed Central

Economou, Anastasios

2018-01-01

This work reviews the field of screen-printed electrodes (SPEs) modified with “green” metals for electrochemical stripping analysis of toxic elements. Electrochemical stripping analysis has been established as a useful trace analysis technique offering many advantages compared to competing optical techniques. Although mercury has been the preferred electrode material for stripping analysis, the toxicity of mercury and the associated legal requirements in its use and disposal have prompted research towards the development of “green” metals as alternative electrode materials. When combined with the screen-printing technology, such environment-friendly metals can lead to disposable sensors for trace metal analysis with excellent operational characteristics. This review focuses on SPEs modified with Au, Bi, Sb, and Sn for stripping analysis of toxic elements. Different modification approaches (electroplating, bulk modification, use of metal precursors, microengineering techniques) are considered and representative applications are described. A developing related field, namely biosensing based on stripping analysis of metallic nanoprobe labels, is also briefly mentioned. PMID:29596391

Screen-Printed Electrodes Modified with "Green" Metals for Electrochemical Stripping Analysis of Toxic Elements.

PubMed

Economou, Anastasios

2018-03-29

This work reviews the field of screen-printed electrodes (SPEs) modified with "green" metals for electrochemical stripping analysis of toxic elements. Electrochemical stripping analysis has been established as a useful trace analysis technique offering many advantages compared to competing optical techniques. Although mercury has been the preferred electrode material for stripping analysis, the toxicity of mercury and the associated legal requirements in its use and disposal have prompted research towards the development of "green" metals as alternative electrode materials. When combined with the screen-printing technology, such environment-friendly metals can lead to disposable sensors for trace metal analysis with excellent operational characteristics. This review focuses on SPEs modified with Au, Bi, Sb, and Sn for stripping analysis of toxic elements. Different modification approaches (electroplating, bulk modification, use of metal precursors, microengineering techniques) are considered and representative applications are described. A developing related field, namely biosensing based on stripping analysis of metallic nanoprobe labels, is also briefly mentioned.

Bulk Superconductivity Induced by In-Plane Chemical Pressure Effect in Eu0.5La0.5FBiS2-xSex

NASA Astrophysics Data System (ADS)

Jinno, Gen; Jha, Rajveer; Yamada, Akira; Higashinaka, Ryuji; Matsuda, Tatsuma D.; Aoki, Yuji; Nagao, Masanori; Miura, Osuke; Mizuguchi, Yoshikazu

2016-12-01

We have investigated the Se substitution effect on the superconductivity of optimally doped BiS2-based superconductor Eu0.5La0.5FBiS2. Eu0.5La0.5FBiS2-xSex samples with x = 0-1 were synthesized. With increasing x, in-plane chemical pressure is enhanced. For x ≥ 0.6, superconducting transitions with a large shielding volume fraction are observed in magnetic susceptibility measurements, and the highest Tc is 3.8 K for x = 0.8. From low-temperature electrical resistivity measurements, a zero-resistivity state is observed for all the samples, and the highest Tc is observed for x = 0.8. With increasing Se concentration, the characteristic electrical resistivity changes from semiconducting-like to metallic, suggesting that the emergence of bulk superconductivity is linked with the enhanced metallicity. A superconductivity phase diagram of the Eu0.5La0.5FBiS2-xSex superconductor is established.

Pristine moon rocks - A 'large' felsite and a metal-rich ferroan anorthosite

NASA Technical Reports Server (NTRS)

Warren, Paul H.; Jerde, Eric A.; Kallemeyn, Gregory W.

1987-01-01

Results of elemental analyses, performed either by instrumental neutron activation analysis (NAA) or radiochemical NAA, of 19 lunar rock samples obtained by the Apollo 15, 17, and 12 missions are presented. Two of the samples are most extraordinary: 'large' (1 g) felsite from Apollo 12 and a pristine ferroan anorthosite from Apollo 15. The felsite is mainly a graphic intergrowth of K-feldspar and a silica phase, with about 6 pct plagioclase and 1 pct each of ferroaugite, ilmenite, and fayalitic olivine. The Fe-metal content of ferroan anorthosite is 1.2 wt pct in the thin section studied (but, based on mass balance for Co and Ni, must have been lower in the chip used for bulk-rock analysis); the measured bulk-rock concentrations of siderophile elements Re, Os, and Ir are far higher than previously observed among pristine lunar anorthosites. These results underscore the uncertainty associated with any attempt to estimate the overall siderophile element contents of the moon's crust.

Numerical simulation of crevice corrosion of titanium: Effect of the bold surface

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

Evitts, R.W.; Postlethwaite, J.; Watson, M.K.

1996-12-01

A rigorous crevice corrosion model has been developed that accounts for the bold metal surfaces exterior to the crevice. The model predicts the time change in concentration of all specified chemical species in the crevice and bulk solution, and has the ability to predict active corrosion. It is applied to the crevice corrosion of a small titanium crevice in both oxygenated and anaerobic sodium chloride solutions. The numerical predictions confirm that oxygen is the driving force for crevice corrosion. During the simulations where oxygen is initially present in both the crevice and bulk solution an acidic chloride solution is developed;more » this is the precursor required for crevice corrosion. The anaerobic case displays no tendency to form such a solution. It is also confirmed that those areas in the crevice that are deoxygenated become anodic and the bold metal surface becomes cathodic. As expected, active corrosion is not attained as the simulations are based on electrochemical and chemical parameters at 25 C.« less

The perturbation energy: A missing key to understand the “nobleness” of bulk gold

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

Alcántara Ortigoza, Marisol, E-mail: Marisol.AlcantaraOrtigoza@ucf.edu; Stolbov, Sergey, E-mail: Sergey.Stolbov@ucf.edu

2015-05-21

The nobleness of gold surfaces has been appreciated since long before the beginning of recorded history. Yet, the origin of this phenomenon remains open because the so far existing explanations either incorrectly imply that silver should be the noblest metal or would fail to predict the dissolution of Au in aqua regia. Here, based on our analyses of oxygen adsorption, we advance that bulk gold’s unique resistance to oxidation is traced to the large energy cost associated with the perturbation its surfaces undergo upon adsorption of highly electronegative species. This fact is related to the almost totally filled d-band ofmore » Au and relativistic effects, but does not imply that the strength of the adsorbate-Au bond is weak. The magnitude of the structural and charge-density perturbation energy upon adsorption of atomic oxygen—which is largest for Au—is assessed from first-principles calculations and confirmed via a multiple regression analysis of the binding energy of oxygen on metal surfaces.« less

Tuned critical avalanche scaling in bulk metallic glasses

DOE PAGES

Antonaglia, James; Xie, Xie; Schwarz, Gregory; ...

2014-03-17

In this study, ingots of the bulk metallic glass (BMG), Zr 64.13Cu 15.75Ni 10.12Al 10 in atomic percent (at. %), are compressed at slow strain rates. The deformation behavior is characterized by discrete, jerky stress-drop bursts (serrations). Here we present a quantitative theory for the serration behavior of BMGs, which is a critical issue for the understanding of the deformation characteristics of BMGs. The mean-field interaction model predicts the scaling behavior of the distribution, D(S), of avalanche sizes, S, in the experiments. D(S) follows a power law multiplied by an exponentially-decaying scaling function. The size of the largest observed avalanchemore » depends on experimental tuning-parameters, such as either imposed strain rate or stress. Similar to crystalline materials, the plasticity of BMGs reflects tuned criticality showing remarkable quantitative agreement with the slip statistics of slowly-compressed nanocrystals. The results imply that material-evaluation methods based on slip statistics apply to both crystalline and BMG materials.« less

Tin-gallium-oxide-based UV-C detectors

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Partha; Toporkov, Mykyta; Schoenfeld, Winston V.

2018-02-01

The emergence of conductive gallium oxide single crystal substrates offers the potential for vertical Schottky detectors operating in the UV-C spectral region. We report here on our recent work in the development of Tin Gallium oxide (TGO) thin film metal-semiconductor-metal (MSM) and Schottky detectors using plasma-assisted molecular beam epitaxy on c plane sapphire and bulk Ga2O3 substrates. Tin alloying of gallium oxide thin films was found to systematically reduce the optical band gap of the compound, providing tunability in the UV-C spectral region. Tin concentration in the TGO epilayers was found to be highly dependent on growth conditions, and Ga flux in particular. First attempts to demonstrate vertical Schottky photodetectors using TGO epilayers on bulk n-type Ga2O3 substrates were successful. Resultant devices showed strong photoresponse to UV-C light with peak responsivities clearly red shifted in comparison to Ga2O3 homoepitaxial Schottky detectors due to TGO alloying.

Experimental evidence for the absence of iron isotope fractionation between metal and silicate liquids at 1 GPa and 1250-1300 °C and its cosmochemical consequences

NASA Astrophysics Data System (ADS)

Hin, Remco C.; Schmidt, Max W.; Bourdon, Bernard

2012-09-01

Iron isotope fractionation during metal-silicate differentiation has been proposed as a cause for differences in iron isotope compositions of chondrites, iron meteorites and the bulk silicate Earth. Stable isotope fractionation, however, rapidly decreases with increasing temperature. We have thus performed liquid metal-liquid silicate equilibration experiments at 1250-1300 °C and 1 GPa to address whether Fe isotope fractionation is resolvable at the lowest possible temperatures for magmatic metal-silicate differentiation. A centrifuging piston cylinder apparatus enabled quantitative metal-silicate segregation. Elemental tin or sulphur was used in the synthetic metal-oxide mixtures to lower the melting temperature of the metal. The analyses demonstrate that eight of the 10 experimental systems equilibrated in a closed isotopic system, as was assessed by varying run durations and starting Fe isotope compositions. Statistically significant iron isotope fractionation between quenched metals and silicates was absent in nine of the 10 experiments and all 10 experiments yield an average metal-silicate fractionation factor of 0.01 ± 0.04‰, independent of whether graphite or silica glass capsules were used. This implies that Fe isotopes do not fractionate during low pressure metal-silicate segregation under magmatic conditions. In large bodies such as the Earth, fractionation between metal and high pressure (>20 GPa) silicate phases may still be a possible process for equilibrium fractionation during metal-silicate differentiation. However, the 0.07 ± 0.02‰ heavier composition of bulk magmatic iron meteorites relative to the average of bulk ordinary/carbonaceous chondrites cannot result from equilibrium Fe isotope fractionation during core segregation. The up to 0.5‰ lighter sulphide than metal fraction in iron meteorites and in one ordinary chondrite can only be explained by fractionation during subsolidus processes.

Schottky-contact plasmonic dipole rectenna concept for biosensing.

PubMed

Alavirad, Mohammad; Mousavi, Saba Siadat; Roy, Langis; Berini, Pierre

2013-02-25

Nanoantennas are key optical components for several applications including photodetection and biosensing. Here we present an array of metal nano-dipoles supporting surface plasmon polaritons (SPPs) integrated into a silicon-based Schottky-contact photodetector. Incident photons coupled to the array excite SPPs on the Au nanowires of the antennas which decay by creating "hot" carriers in the metal. The hot carriers may then be injected over the potential barrier at the Au-Si interface resulting in a photocurrent. High responsivities of 100 mA/W and practical minimum detectable powers of -12 dBm should be achievable in the infra-red (1310 nm). The device was then investigated for use as a biosensor by computing its bulk and surface sensitivities. Sensitivities of ∼ 250 nm/RIU (bulk) and ∼ 8 nm/nm (surface) in water are predicted. We identify the mode propagating and resonating along the nanowires of the antennas, we apply a transmission line model to describe the performance of the antennas, and we extract two useful formulas to predict their bulk and surface sensitivities. We prove that the sensitivities of dipoles are much greater than those of similar monopoles and we show that this difference comes from the gap in dipole antennas where electric fields are strongly enhanced.

Two-phase quasi-equilibrium in β-type Ti-based bulk metallic glass composites

PubMed Central

Zhang, L.; Pauly, S.; Tang, M. Q.; Eckert, J.; Zhang, H. F.

2016-01-01

The microstructural evolution of cast Ti/Zr-based bulk metallic glass composites (BMGCs) containing β-Ti still remains ambiguous. This is why to date the strategies and alloys suitable for producing such BMGCs with precisely controllable volume fractions and crystallite sizes are still rather limited. In this work, a Ti-based BMGC containing β-Ti was developed in the Ti-Zr-Cu-Co-Be system. The glassy matrix of this BMGC possesses an exceptional glass-forming ability and as a consequence, the volume fractions as well as the composition of the β-Ti dendrites remain constant over a wide range of cooling rates. This finding can be explained in terms of a two-phase quasi-equilibrium between the supercooled liquid and β-Ti, which the system attains on cooling. The two-phase quasi-equilibrium allows predicting the crystalline and glassy volume fractions by means of the lever rule and we succeeded in reproducing these values by slight variations in the alloy composition at a fixed cooling rate. The two-phase quasi-equilibrium could be of critical importance for understanding and designing the microstructures of BMGCs containing the β-phase. Its implications on the nucleation and growth of the crystalline phase are elaborated. PMID:26754315

In-situ ductile metal/bulk metallic glass matrix composites formed by chemical partitioning

DOEpatents

Kim, Choong Paul; Hays, Charles C.; Johnson, William L.

2004-03-23

A composite metal object comprises ductile crystalline metal particles in an amorphous metal matrix. An alloy is heated above its liquidus temperature. Upon cooling from the high temperature melt, the alloy chemically partitions, forming dendrites in the melt. Upon cooling the remaining liquid below the glass transition temperature it freezes to the amorphous state, producing a two-phase microstructure containing crystalline particles in an amorphous metal matrix. The ductile metal particles have a size in the range of from 0.1 to 15 micrometers and spacing in the range of from 0.1 to 20 micrometers. Preferably, the particle size is in the range of from 0.5 to 8 micrometers and spacing is in the range of from 1 to 10 micrometers. The volume proportion of particles is in the range of from 5 to 50% and preferably 15 to 35%. Differential cooling can produce oriented dendrites of ductile metal phase in an amorphous matrix. Examples are given in the Zr--Ti--Cu--Ni--Be alloy bulk glass forming system with added niobium.

In-situ ductile metal/bulk metallic glass matrix composites formed by chemical partitioning

DOEpatents

Kim, Choong Paul [Northridge, CA; Hays, Charles C [Pasadena, CA; Johnson, William L [Pasadena, CA

2007-07-17

A composite metal object comprises ductile crystalline metal particles in an amorphous metal matrix. An alloy is heated above its liquidus temperature. Upon cooling from the high temperature melt, the alloy chemically partitions, forming dendrites in the melt. Upon cooling the remaining liquid below the glass transition temperature it freezes to the amorphous state, producing a two-phase microstructure containing crystalline particles in an amorphous metal matrix. The ductile metal particles have a size in the range of from 0.1 to 15 micrometers and spacing in the range of from 0.1 to 20 micrometers. Preferably, the particle size is in the range of from 0.5 to 8 micrometers and spacing is in the range of from 1 to 10 micrometers. The volume proportion of particles is in the range of from 5 to 50% and preferably 15 to 35%. Differential cooling can produce oriented dendrites of ductile metal phase in an amorphous matrix. Examples are given in the Zr--Ti--Cu--Ni--Be alloy bulk glass forming system with added niobium.

Friction and wear of some ferrous-base metallic glasses

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1983-01-01

Sliding friction experiments, X-ray photoelectron spectroscopy (XPS) analysis, and electron microscopy and diffraction studies were conducted with ferrous base metallic glasses (amorphous alloys) in contact with aluminum oxide at temperatures to 750 C in a vacuum. Sliding friction experiments were also conducted in argon and air atmospheres. The results of the investigation indicate that the coefficient of friction increases with increasing temperature to 350 C in vacuum. The increase in friction is due to an increase in adhesion resulting from surface segregation of boric oxide and/or silicon oxide to the surface of the foil. Above 500 C the coefficient of friction decreased rapidly. The decrease correlates with the segregation of boron nitride to the surface. Contaminants can come from the bulk of the material to the surface upon heating and impart boric oxide and/or silicon oxide at 350 C and boron nitride above 500 C. The segregation of contaminants is responsible for the friction behavior. The amorphous alloys have superior wear resistance to crystalline 304 stainless steel. The relative concentrations of the various constituents at the surfaces of the amorphous alloys are very different from the nominal bulk compositions.

Friction and wear of some ferrous-base metallic glasses

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1984-01-01

Sliding friction experiments, X-ray photoelectron spectroscopy (XPS) analysis, and electron microscopy and diffraction studies were conducted with ferrous base metallic glasses (amorphous alloys) in contact with aluminium oxide at temperatures to 750 C in a vacuum. Sliding friction experiments were also conducted in argon and air atmospheres. The results of the investigation indicate that the coefficient of friction increases with increasing temperature to 350 C in vacuum. The increase in friction is due to an increase in adhesion resulting from surface segregation of boric oxide and/or silicon oxide to the surface of the foil. Above 500 C the coefficient of friction decreased rapidly. The decrease correlates with the segregation of boron nitride to the surface. Contaminants can come from the bulk of the material to the surface upon heating and impart boric oxide and/or silicon oxide at 350 C and boron nitride above 500 C. The segregation of contaminants is responsible for the friction behavior. The amorphous alloys have superior wear resistance to crystalline 304 stainless steel. The relative concentrations of the various constituents at the surfaces of the amorphous alloys are very different from the nominal bulk compositions.

Modeling the Propagation of Shock Waves in Metals

NASA Astrophysics Data System (ADS)

Howard, W. Michael

2005-07-01

We present modeling results for the propagation of strong shock waves in metals. In particular, we use an arbitrary Lagrange Eulerian (ALE3D) code to model the propagation of strong pressure waves (P ˜300 to 400 kbars) generated with high explosives in contact with aluminum cylinders. The aluminum cylinders are assumed to be both flat-topped and have large-amplitude curved surfaces. We use 3D Lagrange mechanics. For the aluminum we use a rate-independent Steinberg-Guinan model, where the yield strength and bulk modulus depends on pressure, density and temperature. The calculation of the melt temperature is based on the Lindermann law. At melt the yield strength and bulk modulus is set to zero. The pressure is represented as a seven-term polynomial as a function of density. For the HMX-based high explosive, we use a JWL, with a program burn model that gives the correct detonation velocity and C-J pressure (P ˜ 390 kbars). For the case of the large-amplitude curved surface, we discuss the evolving shock structure in terms of the early shock propagation experiments by Sakharov. We also discuss the dependence of our results upon our material model for aluminum.

Single crystal metal wedges for surface acoustic wave propagation

DOEpatents

Fisher, E.S.

1980-05-09

An ultrasonic testing device has been developed to evaluate flaws and inhomogeneities in the near-surface region of a test material. A metal single crystal wedge is used to generate high frequency Rayleigh surface waves in the test material surface by conversion of a slow velocity, bulk acoustic mode in the wedge into a Rayleigh wave at the metal-wedge test material interface. Particular classes of metals have been found to provide the bulk acoustic modes necessary for production of a surface wave with extremely high frequency and angular collimation. The high frequency allows flaws and inhomogeneities to be examined with greater resolution. The high degree of angular collimation for the outgoing ultrasonic beam permits precision angular location of flaws and inhomogeneities in the test material surface.

Single crystal metal wedges for surface acoustic wave propagation

DOEpatents

Fisher, Edward S.

1982-01-01

An ultrasonic testing device has been developed to evaluate flaws and inhomogeneities in the near-surface region of a test material. A metal single crystal wedge is used to generate high frequency Rayleigh surface waves in the test material surface by conversion of a slow velocity, bulk acoustic mode in the wedge into a Rayleigh wave at the metal-wedge test material interface. Particular classes of metals have been found to provide the bulk acoustic modes necessary for production of a surface wave with extremely high frequency and angular collimation. The high frequency allows flaws and inhomogeneities to be examined with greater resolution. The high degree of angular collimation for the outgoing ultrasonic beam permits precision angular location of flaws and inhomogeneities in the test material surface.

Boosting infrared energy transfer in 3D nanoporous gold antennas.

PubMed

Garoli, D; Calandrini, E; Bozzola, A; Ortolani, M; Cattarin, S; Barison, S; Toma, A; De Angelis, F

2017-01-05

The applications of plasmonics to energy transfer from free-space radiation to molecules are currently limited to the visible region of the electromagnetic spectrum due to the intrinsic optical properties of bulk noble metals that support strong electromagnetic field confinement only close to their plasma frequency in the visible/ultraviolet range. In this work, we show that nanoporous gold can be exploited as a plasmonic material for the mid-infrared region to obtain strong electromagnetic field confinement, co-localized with target molecules into the nanopores and resonant with their vibrational frequency. The effective optical response of the nanoporous metal enables the penetration of optical fields deep into the nanopores, where molecules can be loaded thus achieving a more efficient light-matter coupling if compared to bulk gold. In order to realize plasmonic resonators made of nanoporous gold, we develop a nanofabrication method based on polymeric templates for metal deposition and we obtain antenna arrays resonating at mid-infrared wavelengths selected by design. We then coat the antennas with a thin (3 nm) silica layer acting as the target dielectric layer for optical energy transfer. We study the strength of the light-matter coupling at the vibrational absorption frequency of silica at 1240 cm -1 through the analysis of the experimental Fano lineshape that is benchmarked against identical structures made of bulk gold. The boost in the optical energy transfer from free-space mid-infrared radiation to molecular vibrations in nanoporous 3D nanoantenna arrays can open new application routes for plasmon-enhanced physical-chemical reactions.

An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. II. Application—Effect of quantum confinement and homogeneous strain on Cu conductance

NASA Astrophysics Data System (ADS)

Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Charles, James; Klimeck, Gerhard

2014-03-01

The Semi-Empirical tight binding model developed in Part I Hegde et al. [J. Appl. Phys. 115, 123703 (2014)] is applied to metal transport problems of current relevance in Part II. A systematic study of the effect of quantum confinement, transport orientation, and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain.

Enhancing Aluminum Reactivity by Exploiting Surface Chemistry and Mechanical Properties

DTIC Science & Technology

2015-06-01

alter its mechanical properties . In bulk material processing , annealing and quenching metals such as Al can relieve residual stress and improve...increasing  Al  reactivity is to alter its mechanical  properties .  In bulk material  processing , annealing and quenching metals such as  Al  can relieve...mechanical properties . On a single particle level, affecting mechanical properties may also affect Al particle reactivity. Aluminum particles underwent

Biocompatible Zr-Al-Fe bulk metallic glasses with large plasticity

NASA Astrophysics Data System (ADS)

Hua, NengBin; Li, Ran; Wang, JianFeng; Zhang, Tao

2012-09-01

In the present study, high-zirconium ternary Zr-Al-Fe bulk metallic glasses (BMGs) with low Young's modulus and good plasticity were developed. Zr75Al7.5Fe17.5 BMG exhibits a low Young's modulus of 70 GPa and high Poisson's ratio of 0.403. Pronounced plasticity was demonstrated under both compression and bending conditions for the BMGs. Furthermore, the alloys show high corrosion resistance in phosphate buffered solution. The combination of desirable mechanical and chemical properties implies potential for biomedical applications.

Theoretical modelling of AFM for bimetallic tip-substrate interactions

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ferrante, John

1991-01-01

Recently, a new technique for calculating the defect energetics of alloys based on Equivalent Crystal Theory was developed. This new technique successfully predicts the bulk properties for binary alloys as well as segregation energies in the dilute limit. The authors apply this limit for the calculation of energy and force as a function of separation of an atomic force microscope (AFM) tip and substrate. The study was done for different combinations of tip and sample materials. The validity of the universality discovered for the same metal interfaces is examined for the case of different metal interactions.

Exchanging Ohmic Losses in Metamaterial Absorbers with Useful Optical Absorption for Photovoltaics

PubMed Central

Vora, Ankit; Gwamuri, Jephias; Pala, Nezih; Kulkarni, Anand; Pearce, Joshua M.; Güney, Durdu Ö.

2014-01-01

Using metamaterial absorbers, we have shown that metallic layers in the absorbers do not necessarily constitute undesired resistive heating problem for photovoltaics. Tailoring the geometric skin depth of metals and employing the natural bulk absorbance characteristics of the semiconductors in those absorbers can enable the exchange of undesired resistive losses with the useful optical absorbance in the active semiconductors. Thus, Ohmic loss dominated metamaterial absorbers can be converted into photovoltaic near-perfect absorbers with the advantage of harvesting the full potential of light management offered by the metamaterial absorbers. Based on experimental permittivity data for indium gallium nitride, we have shown that between 75%–95% absorbance can be achieved in the semiconductor layers of the converted metamaterial absorbers. Besides other metamaterial and plasmonic devices, our results may also apply to photodectors and other metal or semiconductor based optical devices where resistive losses and power consumption are important pertaining to the device performance. PMID:24811322

Separation of toxic metal ions, hydrophilic hydrocarbons, hydrophobic fuel and halogenated hydrocarbons and recovery of ethanol from a process stream

DOEpatents

Kansa, E.J.; Anderson, B.L.; Wijesinghe, A.M.; Viani, B.E.

1999-05-25

This invention provides a process to tremendously reduce the bulk volume of contaminants obtained from an effluent stream produced subsurface remediation. The chemicals used for the subsurface remediation are reclaimed for recycling to the remediation process. Additional reductions in contaminant bulk volume are achieved by the ultra-violet light destruction of halogenated hydrocarbons, and the complete oxidation of hydrophobic fuel hydrocarbons and hydrophilic hydrocarbons. The contaminated bulk volume will arise primarily from the disposal of the toxic metal ions. The entire process is modular, so if there are any technological breakthroughs in one or more of the component process modules, such modules can be readily replaced. 3 figs.

Induction detection of concealed bulk banknotes

NASA Astrophysics Data System (ADS)

Fuller, Christopher; Chen, Antao

2011-10-01

Bulk cash smuggling is a serious issue that has grown in volume in recent years. By building on the magnetic characteristics of paper currency, induction sensing is found to be capable of quickly detecting large masses of banknotes. The results show that this method is effective in detecting bulk cash through concealing materials such as plastics, cardboards, fabrics and aluminum foil. The significant difference in the observed phase between the received signals caused by conducting materials and ferrite compounds, found in banknotes, provides a good indication that this process can overcome the interference by metal objects in a real sensing application. This identification strategy has the potential to not only detect the presence of banknotes, but also the number, while still eliminating false positives caused by metal objects.

Rare-earth metal oxide doped transparent mesoporous silica plates under non-aqueous condition as a potential UV sensor.

PubMed

Lee, Sang-Joon; Park, Sung Soo; Lee, Sang Hyun; Hong, Sang-Hyun; Ha, Chang-Sik

2013-11-01

Transparent mesoporous silica plates doped with rare-earth metal oxide were prepared using solvent-evaporation method based on the self-organization between structure-directing agent and silicate in a non-aqueous solvent. A triblock copolymer, Pluronic (F127 or P123), was used as the structure-directing agent, while tetraethyl orthosilicate (TEOS) was used as a silica source. The pore diameter and the surface area of the mesoporous silica plate prepared with the optimized conditions were ca 40 A and 600 m2 g(-1), respectively, for both structure-directing agent. Rare-earth metal oxides (Eu, Tb, Tm oxide) in mesochannel were formed via one-step synthetic route based on the preparation method of a silica plate. Optical properties of rare-earth metal oxide-doped mesoporous silica plates were investigated by UV irradiation and photoluminescence (PL) spectroscopy. Under the exitation wavelength of 254 nm, the doped mesoporous silica plates emitted red, green and blue for Eu, Tb and Tm oxides, respectively. Rare-earth metal oxide-doped mesoporous silica plates showed enhanced PL intensity compared to that of the bulk rare-earth metal oxide.

A possible high-mobility signal in bulk MoTe2: Temperature independent weak phonon decay

NASA Astrophysics Data System (ADS)

Li, Titao; Zhang, Zhaojun; Zheng, Wei; Lv, Yangyang; Huang, Feng

2016-11-01

Layered transition metal dichalcogenides (TMDs) have attracted great attention due to their non-zero bandgap for potential application in high carrier mobility devices. Recent studies demonstrate that the carrier mobility of MoTe2 would decrease by orders of magnitude when used for few-layer transistors. As phonon scattering has a significant influence on carrier mobility of layered material, here, we first reported temperature-dependent Raman spectra of bulk 2H-MoTe2 from 80 to 300 K and discovered that the phonon lifetime of both E12g and A1g vibration modes are independent with temperature. These results were explained by the weak phonon decay in MoTe2. Our results imply the existence of a carrier mobility higher than the theoretical value in intrinsic bulk 2H-MoTe2 and the feasibility to obtain MoTe2-based transistors with sufficiently high carrier mobility.

Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides

NASA Astrophysics Data System (ADS)

Bahramy, M. S.; Clark, O. J.; Yang, B.-J.; Feng, J.; Bawden, L.; Riley, J. M.; Marković, I.; Mazzola, F.; Sunko, V.; Biswas, D.; Cooil, S. P.; Jorge, M.; Wells, J. W.; Leandersson, M.; Balasubramanian, T.; Fujii, J.; Vobornik, I.; Rault, J. E.; Kim, T. K.; Hoesch, M.; Okawa, K.; Asakawa, M.; Sasagawa, T.; Eknapakul, T.; Meevasana, W.; King, P. D. C.

2018-01-01

Transition-metal dichalcogenides (TMDs) are renowned for their rich and varied bulk properties, while their single-layer variants have become one of the most prominent examples of two-dimensional materials beyond graphene. Their disparate ground states largely depend on transition metal d-electron-derived electronic states, on which the vast majority of attention has been concentrated to date. Here, we focus on the chalcogen-derived states. From density-functional theory calculations together with spin- and angle-resolved photoemission, we find that these generically host a co-existence of type-I and type-II three-dimensional bulk Dirac fermions as well as ladders of topological surface states and surface resonances. We demonstrate how these naturally arise within a single p-orbital manifold as a general consequence of a trigonal crystal field, and as such can be expected across a large number of compounds. Already, we demonstrate their existence in six separate TMDs, opening routes to tune, and ultimately exploit, their topological physics.

Microyielding of core-shell crystal dendrites in a bulk-metallic-glass matrix composite

DOE PAGES

Huang, E. -Wen; Qiao, Junwei; Winiarski, Bartlomiej; ...

2014-03-18

In-situ synchrotron x-ray experiments have been used to follow the evolution of the diffraction peaks for crystalline dendrites embedded in a bulk metallic glass matrix subjected to a compressive loading-unloading cycle. We observe irreversible diffraction-peak splitting even though the load does not go beyond half of the bulk yield strength. The chemical analysis coupled with the transmission electron microscopy mapping suggests that the observed peak splitting originates from the chemical heterogeneity between the core (major peak) and the stiffer shell (minor peak) of the dendrites. A molecular dynamics model has been developed to compare the hkl-dependent microyielding of the bulkmore » metallic-glass matrix composite. As a result, the complementary diffraction measurements and the simulation results suggest that the interfaces between the amorphous matrix and the (211) crystalline planes relax under prolonged load that causes a delay in the reload curve which ultimately catches up with the original path.« less

Mesoporous Transition Metal Oxides for Supercapacitors.

PubMed

Wang, Yan; Guo, Jin; Wang, Tingfeng; Shao, Junfeng; Wang, Dong; Yang, Ying-Wei

2015-10-14

Recently, transition metal oxides, such as ruthenium oxide (RuO₂), manganese dioxide (MnO₂), nickel oxides (NiO) and cobalt oxide (Co₃O₄), have been widely investigated as electrode materials for pseudo-capacitors. In particular, these metal oxides with mesoporous structures have become very hot nanomaterials in the field of supercapacitors owing to their large specific surface areas and suitable pore size distributions. The high specific capacities of these mesoporous metal oxides are resulted from the effective contacts between electrode materials and electrolytes as well as fast transportation of ions and electrons in the bulk of electrode and at the interface of electrode and electrolyte. During the past decade, many achievements on mesoporous transition metal oxides have been made. In this mini-review, we select several typical nanomaterials, such as RuO₂, MnO₂, NiO, Co₃O₄ and nickel cobaltite (NiCo₂O₄), and briefly summarize the recent research progress of these mesoporous transition metal oxides-based electrodes in the field of supercapacitors.

Mesoporous Transition Metal Oxides for Supercapacitors

PubMed Central

Wang, Yan; Guo, Jin; Wang, Tingfeng; Shao, Junfeng; Wang, Dong; Yang, Ying-Wei

2015-01-01

Recently, transition metal oxides, such as ruthenium oxide (RuO2), manganese dioxide (MnO2), nickel oxides (NiO) and cobalt oxide (Co3O4), have been widely investigated as electrode materials for pseudo-capacitors. In particular, these metal oxides with mesoporous structures have become very hot nanomaterials in the field of supercapacitors owing to their large specific surface areas and suitable pore size distributions. The high specific capacities of these mesoporous metal oxides are resulted from the effective contacts between electrode materials and electrolytes as well as fast transportation of ions and electrons in the bulk of electrode and at the interface of electrode and electrolyte. During the past decade, many achievements on mesoporous transition metal oxides have been made. In this mini-review, we select several typical nanomaterials, such as RuO2, MnO2, NiO, Co3O4 and nickel cobaltite (NiCo2O4), and briefly summarize the recent research progress of these mesoporous transition metal oxides-based electrodes in the field of supercapacitors. PMID:28347088

A Semi-Analytical Extraction Method for Interface and Bulk Density of States in Metal Oxide Thin-Film Transistors

PubMed Central

Chen, Weifeng; Wu, Weijing; Zhou, Lei; Xu, Miao; Wang, Lei; Peng, Junbiao

2018-01-01

A semi-analytical extraction method of interface and bulk density of states (DOS) is proposed by using the low-frequency capacitance–voltage characteristics and current–voltage characteristics of indium zinc oxide thin-film transistors (IZO TFTs). In this work, an exponential potential distribution along the depth direction of the active layer is assumed and confirmed by numerical solution of Poisson’s equation followed by device simulation. The interface DOS is obtained as a superposition of constant deep states and exponential tail states. Moreover, it is shown that the bulk DOS may be represented by the superposition of exponential deep states and exponential tail states. The extracted values of bulk DOS and interface DOS are further verified by comparing the measured transfer and output characteristics of IZO TFTs with the simulation results by a 2D device simulator ATLAS (Silvaco). As a result, the proposed extraction method may be useful for diagnosing and characterising metal oxide TFTs since it is fast to extract interface and bulk density of states (DOS) simultaneously. PMID:29534492

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

Higher order multipole potentials and electrostatic screening effects are introduced to incorporate the dangling bonds on the surface of a metallic nanopaticle and to modify the coulomb like potential energy terms, respectively. The total interaction energy function for any metallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terms are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

High density hexagonal boron nitride prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, Clarence L.

1992-01-01

Boron nitride powder with less than or equal to the oxygen content of starting powder (down to 0.5% or less) is hot isostatically pressed in a refractory metal container to produce hexagonal boron nitride with a bulk density greater than 2.0 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed or chemical vapor deposited onto a powder compact. Hot isostatic pressing at 1800.degree. C. and 30 KSI (206.8 MPa) argon pressure for four hours produces a bulk density of 2.21 g/cc. Complex shapes can be made.

Preferential growth of short aligned, metallic-rich single-walled carbon nanotubes from perpendicular layered double hydroxide film.

PubMed

Zhao, Meng-Qiang; Tian, Gui-Li; Zhang, Qiang; Huang, Jia-Qi; Nie, Jing-Qi; Wei, Fei

2012-04-07

Direct bulk growth of single-walled carbon nanotubes (SWCNTs) with required properties, such as diameter, length, and chirality, is the first step to realize their advanced applications in electrical and optical devices, transparent conductive films, and high-performance field-effect transistors. Preferential growth of short aligned, metallic-rich SWCNTs is a great challenge to the carbon nanotube community. We report the bulk preferential growth of short aligned SWCNTs from perpendicular Mo-containing FeMgAl layered double hydroxide (LDH) film by a facile thermal chemical vapor deposition with CH(4) as carbon source. The growth of the short aligned SWCNTs showed a decreased growth velocity with an initial value of 1.9 nm s(-1). Such a low growth velocity made it possible to get aligned SWCNTs shorter than 1 μm with a growth duration less than 15 min. Raman spectra with different excitation wavelengths indicated that the as-grown short aligned SWCNTs showed high selectivity of metallic SWCNTs. Various kinds of materials, such as mica, quartz, Cu foil, and carbon fiber, can serve as the substrates for the growth of perpendicular FeMoMgAl LDH films and also the growth of the short aligned SWCNTs subsequently. These findings highlight the easy route for bulk preferential growth of aligned metallic-rich SWCNTs with well defined length for further bulk characterization and applications. This journal is © The Royal Society of Chemistry 2012

How the charge-neutrality level of interface states controls energy level alignment in cathode contacts of organic bulk-heterojunction solar cells.

PubMed

Guerrero, Antonio; Marchesi, Luís F; Boix, Pablo P; Ruiz-Raga, Sonia; Ripolles-Sanchis, Teresa; Garcia-Belmonte, Germà; Bisquert, Juan

2012-04-24

Electronic equilibration at the metal-organic interface, leading to equalization of the Fermi levels, is a key process in organic optoelectronic devices. How the energy levels are set across the interface determines carrier extraction at the contact and also limits the achievable open-circuit voltage under illumination. Here, we report an extensive investigation of the cathode energy equilibration of organic bulk-heterojunction solar cells. We show that the potential to balance the mismatch between the cathode metal and the organic layer Fermi levels is divided into two contributions: spatially extended band bending in the organic bulk and voltage drop at the interface dipole layer caused by a net charge transfer. We scan the operation of the cathode under a varied set of conditions, using metals of different work functions in the range of ∼2 eV, different fullerene acceptors, and several cathode interlayers. The measurements allow us to locate the charge-neutrality level within the interface density of sates and calculate the corresponding dipole layer strength. The dipole layer withstands a large part of the total Fermi level mismatch when the polymer:fullerene blend ratio approaches ∼1:1, producing the practical alignment between the metal Fermi level and the charge-neutrality level. Origin of the interface states is linked with fullerene reduced molecules covering the metal contact. The dipole contribution, and consequently the band bending, is highly sensitive to the nature and amount of fullerene molecules forming the interface density of states. Our analysis provides a detailed picture of the evolution of the potentials in the bulk and the interface of the solar cell when forward voltage is applied or when photogeneration takes place.

Microstructural and mechanical investigation of aluminium alloy (Al 1050) melted by microwave hybrid heating

NASA Astrophysics Data System (ADS)

Shashank Lingappa, M.; Srinath, M. S.; Amarendra, H. J.

2017-07-01

Microwave processing of metals is an emerging area. Melting of bulk metallic materials through microwave irradiation is still immature. In view of this, the present paper discusses the melting of bulk Al 1050 metallic material through microwave irradiation. The melting process is carried out successfully in a domestic microwave oven with 900 W power at 2450 MHz frequency. Metallurgical and mechanical characterization of the processed and as-received material is carried out. Aluminium phase is found to be dominant in processed material when tested through x-ray diffraction (XRD). Microstructure study of as-cast metal through scanning electron microscopy (SEM) reveals the formation of uniform hexagonal grain structure free from pores and cavities. The average tensile strength of the cast material is found to be around 21% higher, when compared to as-received material. Vickers’ microhardness of the as-cast metal is measured and is 10% higher than that of the as-received metal. Radiography on as-cast metal shows no significant defects. Al 1050 material melted through microwave irradiation has exhibited superior properties than the as-received Al 1050.

Impact of sediment characteristics on the heavy metal concentration and their ecological risk level of surface sediments of Vaigai river, Tamilnadu, India.

PubMed

Paramasivam, K; Ramasamy, V; Suresh, G

2015-02-25

The distributions of the metals (Al, Fe, Mg, Cd, Cr, Cu, Ni, Pb and Zn) were measured for the surface sediments of the Vaigai river, Tamilnadu, India. These values are compared with different standard values to assess the level of toxicity of the heavy metals in the sediments. Risk indices (CF, PLI and PER) are also calculated to understand the level of toxicity of the metals. Multivariate statistical analyses (Pearson's correlation analysis, cluster analysis and factor analysis) are carried out to know the inter-relationship between sediment characteristics and the heavy metals. From this analysis, it is confirmed that the contents of clay and organic matter play an important role to raise the level of heavy metal contents as well as PLI and PER (level of toxicity). Heavy metal concentrations of the samples (after removing silt and clay fractions from bulk samples) show decrease in their concentrations and risk indices compared to the level of bulk samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Dissolution of topological Fermi arcs in a dirty Weyl semimetal

NASA Astrophysics Data System (ADS)

Slager, Robert-Jan; Juričić, Vladimir; Roy, Bitan

2017-11-01

Weyl semimetals (WSMs) have recently attracted a great deal of attention as they provide a condensed matter realization of chiral anomaly, feature topologically protected Fermi arc surface states, and sustain sharp chiral Weyl quasiparticles up to a critical disorder at which a continuous quantum phase transition (QPT) drives the system into a metallic phase. We here numerically demonstrate that with increasing strength of disorder, the Fermi arc gradually loses its sharpness, and close to the WSM-metal QPT it completely dissolves into the metallic bath of the bulk. The predicted topological nature of the WSM-metal QPT and the resulting bulk-boundary correspondence across this transition can be directly observed in angle-resolved photoemission spectroscopy (ARPES) and Fourier transformed scanning tunneling microscopy (STM) measurements by following the continuous deformation of the Fermi arcs with increasing disorder in recently discovered Weyl materials.

Correspondence between ion-cluster and bulk thermodynamics: on the validity of the cluster pair approximation

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

Vlcek, Lukas; Chialvo, Ariel; Simonson, J Michael

2013-01-01

Molecular models and experimental estimates based on the cluster pair approximation (CPA) provide inconsistent predictions of absolute single-ion hydration properties. To understand the origin of this discrepancy we used molecular simulations to study the transition between hydration of alkali metal and halide ions in small aqueous clusters and bulk water. The results demonstrate that the assumptions underlying the CPA are not generally valid as a result of a significant shift in the ion hydration free energies (~15 kJ/mol) and enthalpies (~47 kJ/mol) in the intermediate range of cluster sizes. When this effect is accounted for, the systematic differences between modelsmore » and experimental predictions disappear, and the value of absolute proton hydration enthalpy based on the CPA gets in closer agreement with other estimates.« less

Insights into metals in individual fine particles from municipal solid waste using synchrotron radiation-based micro-analytical techniques.

PubMed

Zhu, Yumin; Zhang, Hua; Shao, Liming; He, Pinjing

2015-01-01

Excessive inter-contamination with heavy metals hampers the application of biological treatment products derived from mixed or mechanically-sorted municipal solid waste (MSW). In this study, we investigated fine particles of <2mm, which are small fractions in MSW but constitute a significant component of the total heavy metal content, using bulk detection techniques. A total of 17 individual fine particles were evaluated using synchrotron radiation-based micro-X-ray fluorescence and micro-X-ray diffraction. We also discussed the association, speciation and source apportionment of heavy metals. Metals were found to exist in a diffuse distribution with heterogeneous intensities and intense hot-spots of <10 μm within the fine particles. Zn-Cu, Pb-Fe and Fe-Mn-Cr had significant correlations in terms of spatial distribution. The overlapped enrichment, spatial association, and the mineral phases of metals revealed the potential sources of fine particles from size-reduced waste fractions (such as scraps of organic wastes or ceramics) or from the importation of other particles. The diverse sources of heavy metal pollutants within the fine particles suggested that separate collection and treatment of the biodegradable waste fraction (such as food waste) is a preferable means of facilitating the beneficial utilization of the stabilized products. Copyright © 2014. Published by Elsevier B.V.

Toughness of Wear-Resistant Cu-Zr-Based Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Andersen, Laura M.

Bulk metallic glasses (BMGs) have the potential to exhibit exceptional wear-resistance due to their high hardness and strength. Combined with their other unique properties, this makes them ideal candidates for a wide range of technological applications (e.g. gears, bearings, biomaterials). In the course of this dissertation, high-glass-forming bulk metallic glasses are prepared and characterized in order to identify wear-resistant compositions and optimize their toughness. First, a comprehensive study identifies a class of Cu-Zr-based BMGs that exhibit more exceptional wear performance than other BMGs. The results demonstrate that when BMGs are designed properly, they exhibit wear properties that compete with, and can surpass, state-of-the-art engineering materials. It is identified that, in order to optimize the wear performance of Cu-Zr-based BMG gears, toughness should be maximized. Second, the notch toughness of wear-resistant Cu43Zr 43Al7Be7 BMGs with in-situ crystallization is investigated. In order to identify in-situ crystallization using X-ray diffraction (XRD) with Cu K? radiation, extremely long dwell times and high X-ray fluxes are required. This demonstrates the importance of reporting operating parameters when trying to evaluate the amorphous nature of BMGs. XRD, energy-dispersive X-ray spectroscopy (EDS) and electron backscatter diffraction (EBSD) are used to identify the metastable crystalline phase. The notch toughness is found to correlate closely with the amount of crystallization and the composition of the remaining amorphous matrix. Finally, the effect of substituting standard-grade zirconium lump (99.8% excluding up to 4% hafnium) for high-purity zirconium crystal bar (99.5%) in Cu43Zr43Al7Be7 is investigated. Introducing low-purity zirconium significantly decreases the glass-forming-ability and reduces the notch toughness of the BMG. Furthermore, Weibull statistics provide an analysis of the variability in toughness for high-purity ingots synthesized both in a small laboratory arc-melter and synthesized commercially. The dissertation concludes with a summary of key findings that have led to our increase in knowledge and a discussion of particularly pressing directions for future research in this field.

SYNTHESIS OF THERMALLY STABLE CARBOXYMETHYL CELLULOSE/METAL BIODEGRADABLE NANOCOMPOSITES FOR POTENTIAL BIOLOGICAL APPLICATIONS

EPA Science Inventory

A green approach is described that generates bulk quantities of nanocomposites containing transition metals such as Cu, Ag, In and Fe at room temperature using a biodegradable polymer carboxymethyl cellulose (CMC) by reacting respective metal salts with sodium salt of CMC in aqu...

Bulk nucleation and growth of inorganic nanowires and nanotubes

NASA Astrophysics Data System (ADS)

Sharma, Shashank

The nanometer scale materials such as nanowires and nanotubes will be of particular interest as building blocks for designing novel sensors, catalysts, electronic, optical, and optoelectronic devices. However, in order to realize these applications, bulk amounts of nanowires and nanotubes need to be synthesized with precise control over the nanostructure characteristics. In addition, the structure-property relationships for one-dimensional structures are expected to be different than their bulk when their diameters are less than a characteristic Bohr exciton radius. This fundamental curiosity also necessitates bulk synthesis of nanostructures. The current bulk nanowire synthesis methods utilize either nanometer scale porous molds or nanometer scale transition metal clusters to template one-dimensional growth. All these techniques have inherent limitations in terms of control over the nanowire diameter distribution, composition, the growth direction, and the ability to generate abrupt interfaces within individual nanowires. In this dissertation, a new concept for bulk nucleation and growth of one-dimensional nanostructures is proposed and demonstrated for a variety of inorganic material systems. In this technique, multiple nanowires nucleate and grow from pools of low-melting metal melts when exposed to an activated gas phase containing the necessary precursors. This concept, hereby termed Low Melting Metals and Activated Gas phase (LMAG) mediated method, is specifically demonstrated for the synthesis of, (a) silicon nanowires grown using molten gallium and silane precursors; (b) silicon compound nanowires using solution of molten gallium and appropriate gas phase precursors, and (c) metal-oxide nanostructures grown using direct reaction of the respective metal melts and oxygen precursors. Nanowires resulted from the same molten gallium pool at high densities (>1011/cm2) and with narrow diameter distribution. The silicon nanowires synthesized using the LMAG technique were single crystalline, defect free, and contained a non uniform, extremely thin oxide sheath (<1.5 nm). The nanowire diameter could be varied from 3 to 100 nm, with lengths up to hundreds of microns. Unique tubular and paintbrush-like morphologies were obtained in gallium oxide (Ga2O3) nanostructures. Small gallium droplets (<100 nm size) allowed Ga2O3 nanowire growth parallel to the substrate, followed by 2-dimensional nanoweb formation. These experiments using small gallium droplets resulted in the growth of crystalline Ga2O3 nanotubes with outer diameters as small as 5 nm and inner diameters as small as 2.5 nm.

Electric-dipole absorption resonating with longitudinal optical phonon-plasmon system and its effect on dispersion relations of interface phonon polariton modes in metal/semiconductor-stripe structures

NASA Astrophysics Data System (ADS)

Sakamoto, Hironori; Takeuchi, Eito; Yoshida, Kouki; Morita, Ken; Ma, Bei; Ishitani, Yoshihiro

2018-01-01

Interface phonon polaritons (IPhPs) in nano-structures excluding metal components are thoroughly investigated because they have lower loss in optical emission or absorption and higher quality factors than surface plasmon polaritons. In previous reports, it is found that strong infrared (IR) absorption is based on the interaction of p-polarized light and materials, and the resonance photon energy highly depends on the structure size and angle of incidence. We report the optical absorption by metal/semiconductor (bulk-GaAs and thin film-AlN)-stripe structures in THz to mid-IR region for the electric field of light perpendicular to the stripes, where both of s- and p-polarized light are absorbed. The absorption resonates with longitudinal optical (LO) phonon or LO phonon-plasmon coupling (LOPC) modes, and thus is independent of the angle of incidence or structure size. This absorption is attributed to the electric dipoles by the optically induced polarization charges at the metal/semiconductor, heterointerfaces, or interfaces of high electron density layers and depression ones. The electric permittivity is modified by the formation of these dipoles. It is found to be indispensable to utilize our form of altered permittivity to explain the experimental dispersion relations of metal/semiconductor-IPhP and SPhP in these samples. This analysis reveals that the IPhPs in the stripe structures of metal/AlN-film on a SiC substrate are highly confined in the AlN film, while the permittivity of the structures of metal/bulk-GaAs is partially affected by the electric-dipoles. The quality factors of the electric-dipole absorption are found to be 42-54 for undoped samples, and the value of 62 is obtained for Al/AlN-IPhP. It is thought that metal-contained structures are not obstacles to mode energy selectivity in phonon energy region of semiconductors.

Electrochemistry of 1,1'-bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-bis(2,5-dialkylphospholanyl)ferrocene ligands: free phosphines, metal complexes, and chalcogenides.

PubMed

Mandell, Chelsea L; Kleinbach, Shannon S; Dougherty, William G; Kassel, W Scott; Nataro, Chip

2010-10-18

The oxidative electrochemistries of a series of chiral bisphosphinoferrocene ligands, 1,1'-bis(2,4-dialkylphosphetanyl)ferrocene (FerroTANE) and 1,1'-bis(2,5-dialkylphospholanyl)ferrocene (FerroLANE), were examined. The reversibility of the oxidation is sensitive to the steric bulk of the alkyl groups. New transition metal compounds and phosphine chalcogenides of these ligands were prepared and characterized. X-ray crystal structures of 10 of these compounds are reported. The percent buried volume (%V(bur)) is a recently developed measurement based on crystallographic data that examines the steric bulk of N-heterocyclic carbene and phosphine ligands. The %V(bur) for the FerroTANE and FerroLANE structures with methyl or ethyl substituents suggests these ligands are similar in steric properties to 1,1'-bis(diphenylphosphino)ferrocene (dppf). In addition the %V(bur) has been found to correlate well with the Tolman cone angle for phosphine chalcogenides. The oxidative electrochemistries of the transition metal complexes occur at more positive potentials than the free ligands. While a similar positive shift is seen for the oxidative electrochemistries of the phosphine chalcogenides, the oxidation of the phosphine selenides does not occur at the iron center, but rather oxidation occurs at the selenium atoms.

Sectional Finite Element Analysis on Viscous Pressure Forming of Sheet Metal

NASA Astrophysics Data System (ADS)

Liu, Jianguang; Wang, Zhongjin; Liu, Yan

2007-05-01

Viscous pressure forming (VPF) is a recently developed sheet flexible-die forming process, which uses a kind of semi-solid, flowable and viscous material as pressure-carrying medium that typically applied on one side of the sheet metal or on both sides of sheet metal. Different from traditional sheet metal forming processes in which sheet metal is the unique deformation-body, VPF is a coupling process of visco-elastoplastic bulk deformation of viscous medium and elasto-plastic deformation of sheet metal. A sectional finite element model for the coupled deformation between visco-elastoplastic body and elasto-plastic sheet metal was proposed to analyze VPF. The resolution of the Updated Lagrangian formulation is based on a static approach. By using static-explicit time integration strategy, the deformation of elasto-plastic sheet metal and visco-elastoplastic body can keep stable. The frictional contact between sheet metal and visco-elastoplastic body is treated by penalty function method. Using the proposed algorithm, sheet metal viscous pressure bulging (VPB) process is analyzed and compared with experiments. A good agreement between numerical simulation results and experimental ones proved the efficiency and stability of this algorithm.

Biocompatible Ni-free Zr-based bulk metallic glasses with high-Zr-content: compositional optimization for potential biomedical applications.

PubMed

Hua, Nengbin; Huang, Lu; Chen, Wenzhe; He, Wei; Zhang, Tao

2014-11-01

The present study designs and prepares Ni-free Zr60+xTi2.5Al10Fe12.5-xCu10Ag5 (at.%, x=0, 2.5, 5) bulk metallic glasses (BMGs) by copper mold casting for potential biomedical application. The effects of Zr content on the in vitro biocompatibility of the Zr-based BMGs are evaluated by investigating mechanical properties, bio-corrosion behavior, and cellular responses. It is found that increasing the content of Zr is favorable for the mechanical compatibility with a combination of low Young's modulus, large plasticity, and high notch toughness. Electrochemical measurements demonstrate that the Zr-based BMGs are corrosion resistant in a phosphate buffered saline solution. The bio-corrosion resistance of BMGs is improved with the increase in Zr content, which is attributed to the enrichment in Zr and decrease in Al concentration in the surface passive film of alloys. Regular cell responses of mouse MC3T3-E1 cells, including cell adhesion and proliferation, are observed on the Zr-Ti-Al-Fe-Cu-Ag BMGs, which reveals their general biosafety. The high-Zr-based BMGs exhibit a higher cell proliferation activity in comparison with that of pure Zr and Ti-6Al-4V alloy. The effects of Zr content on the in vitro biocompatibility can be used to guide the future design of biocompatible Zr-based BMGs. Copyright © 2014 Elsevier B.V. All rights reserved.

Interface designed MoS2/GaAs heterostructure solar cell with sandwich stacked hexagonal boron nitride

PubMed Central

Lin, Shisheng; Li, Xiaoqiang; Wang, Peng; Xu, Zhijuan; Zhang, Shengjiao; Zhong, Huikai; Wu, Zhiqian; Xu, Wenli; Chen, Hongsheng

2015-01-01

MoS2 is a layered two-dimensional semiconductor with a direct band gap of 1.8 eV. The MoS2/bulk semiconductor system offers a new platform for solar cell device design. Different from the conventional bulk p-n junctions, in the MoS2/bulk semiconductor heterostructure, static charge transfer shifts the Fermi level of MoS2 toward that of bulk semiconductor, lowering the barrier height of the formed junction. Herein, we introduce hexagonal boron nitride (h-BN) into MoS2/GaAs heterostructure to suppress the static charge transfer, and the obtained MoS2/h-BN/GaAs solar cell exhibits an improved power conversion efficiency of 5.42%. More importantly, the sandwiched h-BN makes the Fermi level tuning of MoS2 more effective. By employing chemical doping and electrical gating into the solar cell device, PCE of 9.03% is achieved, which is the highest among all the reported monolayer transition metal dichalcogenide based solar cells. PMID:26458358

Tetradymites as thermoelectrics and topological insulators

NASA Astrophysics Data System (ADS)

Heremans, Joseph P.; Cava, Robert J.; Samarth, Nitin

2017-10-01

Tetradymites are M2X3 compounds — in which M is a group V metal, usually Bi or Sb, and X is a group VI anion, Te, Se or S — that crystallize in a rhombohedral structure. Bi2Se3, Bi2Te3 and Sb2Te3 are archetypical tetradymites. Other mixtures of M and X elements produce common variants, such as Bi2Te2Se. Because tetradymites are based on heavy p-block elements, strong spin-orbit coupling greatly influences their electronic properties, both on the surface and in the bulk. Their surface electronic states are a cornerstone of frontier work on topological insulators. The bulk energy bands are characterized by small energy gaps, high group velocities, small effective masses and band inversion near the centre of the Brillouin zone. These properties are favourable for high-efficiency thermoelectric materials but make it difficult to obtain an electrically insulating bulk, which is a requirement of topological insulators. This Review outlines recent progress made in bulk and thin-film tetradymite materials for the optimization of their properties both as thermoelectrics and as topological insulators.

Liquid-solid joining of bulk metallic glasses

NASA Astrophysics Data System (ADS)

Huang, Yongjiang; Xue, Peng; Guo, Shu; Wu, Yang; Cheng, Xiang; Fan, Hongbo; Ning, Zhiliang; Cao, Fuyang; Xing, Dawei; Sun, Jianfei; Liaw, Peter K.

2016-07-01

Here, we successfully welded two bulk metallic glass (BMG) materials, Zr51Ti5Ni10Cu25Al9 and Zr50.7Cu28Ni9Al12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. The liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components.

Liquid-solid joining of bulk metallic glasses

PubMed Central

Huang, Yongjiang; Xue, Peng; Guo, Shu; Wu, Yang; Cheng, Xiang; Fan, Hongbo; Ning, Zhiliang; Cao, Fuyang; Xing, Dawei; Sun, Jianfei; Liaw, Peter K.

2016-01-01

Here, we successfully welded two bulk metallic glass (BMG) materials, Zr51Ti5Ni10Cu25Al9 and Zr50.7Cu28Ni9Al12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. The liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components. PMID:27471073

Liquid-solid joining of bulk metallic glasses.

PubMed

Huang, Yongjiang; Xue, Peng; Guo, Shu; Wu, Yang; Cheng, Xiang; Fan, Hongbo; Ning, Zhiliang; Cao, Fuyang; Xing, Dawei; Sun, Jianfei; Liaw, Peter K

2016-07-29

Here, we successfully welded two bulk metallic glass (BMG) materials, Zr51Ti5Ni10Cu25Al9 and Zr50.7Cu28Ni9Al12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. The liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components.

Liquid-solid joining of bulk metallic glasses

DOE PAGES

Huang, Yongjiang; Xue, Peng; Guo, Shu; ...

2016-07-29

Here, we successfully welded two bulk metallic glass (BMG) materials, Zr 51Ti 5Ni 10Cu 25Al 9 and Zr 50.7Cu 28Ni 9Al 12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. In conclusion, the liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components.

Modeling deformation behavior of Cu-Zr-Al bulk metallic glass matrix composites

NASA Astrophysics Data System (ADS)

Pauly, S.; Liu, G.; Wang, G.; Das, J.; Kim, K. B.; Kühn, U.; Kim, D. H.; Eckert, J.

2009-09-01

In the present work we prepared an in situ Cu47.5Zr47.5Al5 bulk metallic glass matrix composite derived from the shape memory alloy CuZr. We use a strength model, which considers percolation and a three-microstructural-element body approach, to understand the effect of the crystalline phase on the yield stress and the fracture strain under compressive loading, respectively. The intrinsic work-hardenability due to the martensitic transformation of the crystalline phase causes significant work hardening also of the composite material.

Probing elastically or plastically induced structural heterogeneities in bulk metallic glasses by nanoindentation pop-in tests

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

Liu, Tingkun; Gao, Yanfei; Bei, Hongbin

Shear banding dynamics in bulk metallic glasses (BMGs) is manifested by the spatiotemporal evolution of strain fields which in turn depend on structural heterogeneities. The spacing of these heterogeneities, as a characteristic length scale, was determined from the analysis of nanoindentation pop-in tests using a stochastic model. Furthermore, the pre-stress by elastic bending and residual stress by plastic bending of BMG plates were found to dramatically decrease such spacings, thus increasing heterogeneity density and mechanically rejuvenating the glass structure.

Probing elastically or plastically induced structural heterogeneities in bulk metallic glasses by nanoindentation pop-in tests

DOE PAGES

Liu, Tingkun; Gao, Yanfei; Bei, Hongbin

2017-07-21

Shear banding dynamics in bulk metallic glasses (BMGs) is manifested by the spatiotemporal evolution of strain fields which in turn depend on structural heterogeneities. The spacing of these heterogeneities, as a characteristic length scale, was determined from the analysis of nanoindentation pop-in tests using a stochastic model. Furthermore, the pre-stress by elastic bending and residual stress by plastic bending of BMG plates were found to dramatically decrease such spacings, thus increasing heterogeneity density and mechanically rejuvenating the glass structure.

In-situ atomic force microscopy observation revealing gel-like plasticity on a metallic glass surface

NASA Astrophysics Data System (ADS)

Lu, Y. M.; Zeng, J. F.; Huang, J. C.; Kuan, S. Y.; Nieh, T. G.; Wang, W. H.; Pan, M. X.; Liu, C. T.; Yang, Y.

2017-03-01

It has been decade-long and enduring efforts to decipher the structural mechanism of plasticity in metallic glasses; however, it still remains a challenge to directly reveal the structural change, if any, that precedes; and dominant plastics flow in them. Here, by using the dynamic atomic force microscope as an "imaging" as well as a "forcing" tool, we unfold a real-time sequence of structural evolution occurring on the surface of an Au-Si thin film metallic glass. In sharp contrast to the common notion that plasticity comes along with mechanical softening in bulk metallic glasses, our experimental results directly reveal three types of nano-sized surface regions, which undergo plasticity but exhibit different characters of structural evolution following the local plasticity events, including stochastic structural rearrangement, unusual local relaxation and rejuvenation. As such, yielding on the metallic-glass surface manifests as a dynamic equilibrium between local relaxation and rejuvenation as opposed to shear instability in bulk metallic-glasses. Our finding demonstrates that plasticity on the metallic glass surface of Au-Si metallic glass bears much resemblance to that of the colloidal gels, of which nonlinear rheology rather than shear instability governs the constitutive behavior of plasticity.

Nanopatterned bulk metallic glass-based biomaterials modulate macrophage polarization.

PubMed

Shayan, Mahdis; Padmanabhan, Jagannath; Morris, Aaron H; Cheung, Bettina; Smith, Ryan; Schroers, Jan; Kyriakides, Themis R

2018-06-01

Polarization of macrophages by chemical, topographical and mechanical cues presents a robust strategy for designing immunomodulatory biomaterials. Here, we studied the ability of nanopatterned bulk metallic glasses (BMGs), a new class of metallic biomaterials, to modulate murine macrophage polarization. Cytokine/chemokine analysis of IL-4 or IFNγ/LPS-stimulated macrophages showed that the secretion of TNF-α, IL-1α, IL-12, CCL-2 and CXCL1 was significantly reduced after 24-hour culture on BMGs with 55 nm nanorod arrays (BMG-55). Additionally, under these conditions, macrophages increased phagocytic potential and exhibited decreased cell area with multiple actin protrusions. These in vitro findings suggest that nanopatterning can modulate biochemical cues such as IFNγ/LPS. In vivo evaluation of the subcutaneous host response at 2 weeks demonstrated that the ratio of Arg-1 to iNOS increased in macrophages adjacent to BMG-55 implants, suggesting modulation of polarization. In addition, macrophage fusion and fibrous capsule thickness decreased and the number and size of blood vessels increased, which is consistent with changes in macrophage responses. Our study demonstrates that nanopatterning of BMG implants is a promising technique to selectively polarize macrophages to modulate the immune response, and also presents an effective tool to study mechanisms of macrophage polarization and function. Implanted biomaterials elicit a complex series of tissue and cellular responses, termed the foreign body response (FBR), that can be influenced by the polarization state of macrophages. Surface topography can influence polarization, which is broadly characterized as either inflammatory or repair-like. The latter has been linked to improved outcomes of the FBR. However, the impact of topography on macrophage polarization is not fully understood, in part, due to a lack of high moduli biomaterials that can be reproducibly processed at the nanoscale. Here, we studied macrophage interactions with nanopatterned bulk metallic glasses (BMGs), a class of metallic alloys with amorphous microstructure and formability like polymers. We show that nanopatterned BMGs modulate macrophage polarization and transiently induce less fibrotic and more angiogenic responses. Overall, we demonstrate nanopatterning of BMG implants as a technique to polarize macrophages and modulate the FBR. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Controlled uptake and release of imatinib from ultrasound nanoparticles Cu3(BTC)2 metal-organic framework in comparison with bulk structure.

PubMed

Abbasi, Amir Reza; Rizvandi, Maryam; Azadbakht, Azadeh; Rostamnia, Sadegh

2016-06-01

The porosity of metal-organic frameworks (MOFs) is an important point concerning the possible use of such functional materials for different purposes. In this work, we study uptake and release properties of imatinib (IM) from nano Cu(II)-MOF in comparison with bulk Cu(II)-MOF. To explore the absorption ability of the Cu(II)-MOF to IM, fresh sample of Cu3(BTC)2 was immersed in an aqueous solution of IM and were monitored in real time with UV/vis spectroscopy. Results show that the adsorbed quantity of IM over nano Cu3(BTC)2 (I) is much higher than those over a bulk Cu3(BTC)2 (II). Copyright © 2016. Published by Elsevier Inc.

Measurements and tests of HTS bulk material in resistive fault current limiters

NASA Astrophysics Data System (ADS)

Noe, M.; Juengst, K.-P.; Werfel, F. N.; Elschner, S.; Bock, J.; Wolf, A.; Breuer, F.

2002-08-01

The application of superconducting fault current limiters (SCFCL) depends highly on their technical and economical benefits. Therefore it is obvious that the main requirements on the SCFCL are a reliable, fail-safe and rapid current limitation, low losses, and an inexpensive production. As a potential candidate material we have investigated HTS bulk material in resistive fault current limiters. Our report focuses on the E- j-curves, the AC-losses and the quench behaviour of melt cast processed-BSCCO 2212 and melt textured polycrystalline-YBCO 123. Within a temperature range from 64 to 80 K E- j-curves and AC losses of HTS elements were measured. The measurement results show that HTS bulk material meets the SCFCL specifications. In order to avoid hot spots during limitation and to improve mechanical stability a metallic bypass is needed. First test results of the quench behaviour of HTS bulk material with metallic bypass demonstrate safe limitation up to the specified electrical field of 100 V/m.

Electroactive Nanoporous Metal Oxides and Chalcogenides by Chemical Design

PubMed Central

2017-01-01

The archetypal silica- and aluminosilicate-based zeolite-type materials are renowned for wide-ranging applications in heterogeneous catalysis, gas-separation and ion-exchange. Their compositional space can be expanded to include nanoporous metal chalcogenides, exemplified by germanium and tin sulfides and selenides. By comparison with the properties of bulk metal dichalcogenides and their 2D derivatives, these open-framework analogues may be viewed as three-dimensional semiconductors filled with nanometer voids. Applications exist in a range of molecule size and shape discriminating devices. However, what is the electronic structure of nanoporous metal chalcogenides? Herein, materials modeling is used to describe the properties of a homologous series of nanoporous metal chalcogenides denoted np-MX2, where M = Si, Ge, Sn, Pb, and X = O, S, Se, Te, with Sodalite, LTA and aluminum chromium phosphate-1 structure types. Depending on the choice of metal and anion their properties can be tuned from insulators to semiconductors to metals with additional modification achieved through doping, solid solutions, and inclusion (with fullerene, quantum dots, and hole transport materials). These systems form the basis of a new branch of semiconductor nanochemistry in three dimensions. PMID:28572706

Micro- and macromechanics of fracture of structural elements

NASA Astrophysics Data System (ADS)

Zavoychinskaya, E. B.

2012-05-01

A mathematical model for the description of bulk microfracture processes in metals, which are understood as nucleation and coalescence of submicrocracks, microcracks, and short nonpropagating microcracks, and of brittle macrofracture processes in metals is presented. This model takes into account the laws of formation and propagation of short propagating, medium, and significant microcracks. The basic notions of this model are the reduced length of cracks and the probability of micro- and macrofracture. The model is based on the mechanical parameters of metal strength and fracture, which are studied experimentally. The expressions for determining the probability in the case of one-dimensional symmetric loading are given. The formulas for determining the threshold number of cycles at the beginning of crack formation are obtained for cracks of each type. For the first time, the data on standard parameters of fatigue strength were used to construct the fatigue curve of metals and alloys for macrocracks.

Lunar oxygen production by pyrolysis of regolith

NASA Technical Reports Server (NTRS)

Senior, Constance L.

1991-01-01

Oxygen represents one of the most desirable products of lunar mining and manufacturing. Among the many processes which have been proposed for oxygen production, pyrolysis stands out as one which is uncomplicated and easy to bootstrap. Pyrolysis or vapor-phase reduction involves heating regolith to temperatures sufficient to allow partial decomposition and vaporization. Some metal oxides give up oxygen upon heating, either in the gas phase to form reduced gaseous species or in the condensed phase to form a metallic phase. Based on preliminary experiments and equilibrium calculations, the temperatures needed for pyrolysis are expected to be in the range of 2000 to 2200 K, giving total gas pressures of 0.001 to 0.1 torr. Bulk regolith can be used as a feedstock without beneficiation with concentrated solar radiation supplying most of energy needed. Further, selective condensation of metal-containing species from the gas phase may yield metallic iron and silicon as byproducts.

Criticality in Bulk Metallic Glass Constituent Elements

NASA Astrophysics Data System (ADS)

Mota, Rodrigo Miguel Ojeda; Graedel, T. E.; Pekarskaya, Evgenia; Schroers, Jan

2017-11-01

Bulk metallic glasses (BMGs), which readily form amorphous phases during solidification, are increasingly being used in first applications of watch components, electronic casings, and sporting goods. The compositions of BMGs typically include four to six elements. Various political and geological factors have recently led to supply disruptions for several metals, including some present in BMG compositions. In this work, we assess the "criticality" of 22 technologically interesting BMG compositions, compare the results with those for three common engineering alloy groups, and derive recommendations for BMG composition choices from a criticality perspective. The criticality of BMGs is found to be generally much higher compared with those for the established engineering alloys. Therefore, criticality concerns should also be considered in the choice between existing and developing novel BMGs.

IRRADIATION METHOD OF CONVERTING ORGANIC COMPOUNDS

DOEpatents

Allen, A.O.; Caffrey, J.M. Jr.

1960-10-11

A method is given for changing the distribution of organic compounds from that produced by the irradiation of bulk alkane hydrocarbons. This method consists of depositing an alkane hydrocarbon on the surface of a substrate material and irradiating with gamma radiation at a dose rate of more than 100,000 rads. The substrate material may be a metal, metal salts, metal oxides, or carbons having a surface area in excess of 1 m/sup 2//g. The hydrocarbons are deposited in layers of from 0.1 to 10 monolayers on the surfaces of these substrates and irradiated. The product yields are found to vary from those which result from the irradiation of bulk hydrocarbons in that there is an increase in the quantity of branched hydrocarbons.

Memory and Spin Injection Devices Involving Half Metals

DOE PAGES

Shaughnessy, M.; Snow, Ryan; Damewood, L.; ...

2011-01-01

We suggest memory and spin injection devices fabricated with half-metallic materials and based on the anomalous Hall effect. Schematic diagrams of the memory chips, in thin film and bulk crystal form, are presented. Spin injection devices made in thin film form are also suggested. These devices do not need any external magnetic field but make use of their own magnetization. Only a gate voltage is needed. The carriers are 100% spin polarized. Memory devices may potentially be smaller, faster, and less volatile than existing ones, and the injection devices may be much smaller and more efficient than existing spin injectionmore » devices.« less

Silica-Based and Borate-Based, Titania-Containing Bioactive Coatings Characterization: Critical Strain Energy Release Rate, Residual Stresses, Hardness, and Thermal Expansion.

PubMed

Rodriguez, Omar; Matinmanesh, Ali; Phull, Sunjeev; Schemitsch, Emil H; Zalzal, Paul; Clarkin, Owen M; Papini, Marcello; Towler, Mark R

2016-12-01

Silica-based and borate-based glass series, with increasing amounts of TiO₂ incorporated, are characterized in terms of their mechanical properties relevant to their use as metallic coating materials. It is observed that borate-based glasses exhibit CTE (Coefficient of Thermal Expansion) closer to the substrate's (Ti6Al4V) CTE, translating into higher mode I critical strain energy release rates of glasses and compressive residual stresses and strains at the coating/substrate interface, outperforming the silica-based glasses counterparts. An increase in the content of TiO₂ in the glasses results in an increase in the mode I critical strain energy release rate for both the bulk glass and for the coating/substrate system, proving that the addition of TiO₂ to the glass structure enhances its toughness, while decreasing its bulk hardness. Borate-based glass BRT3, with 15 mol % TiO₂ incorporated, exhibits superior properties overall compared to the other proposed glasses in this work, as well as 45S5 Bioglass ® and Pyrex.

Silica-Based and Borate-Based, Titania-Containing Bioactive Coatings Characterization: Critical Strain Energy Release Rate, Residual Stresses, Hardness, and Thermal Expansion

PubMed Central

Rodriguez, Omar; Matinmanesh, Ali; Phull, Sunjeev; Schemitsch, Emil H.; Zalzal, Paul; Clarkin, Owen M.; Papini, Marcello; Towler, Mark R.

2016-01-01

Silica-based and borate-based glass series, with increasing amounts of TiO2 incorporated, are characterized in terms of their mechanical properties relevant to their use as metallic coating materials. It is observed that borate-based glasses exhibit CTE (Coefficient of Thermal Expansion) closer to the substrate’s (Ti6Al4V) CTE, translating into higher mode I critical strain energy release rates of glasses and compressive residual stresses and strains at the coating/substrate interface, outperforming the silica-based glasses counterparts. An increase in the content of TiO2 in the glasses results in an increase in the mode I critical strain energy release rate for both the bulk glass and for the coating/substrate system, proving that the addition of TiO2 to the glass structure enhances its toughness, while decreasing its bulk hardness. Borate-based glass BRT3, with 15 mol % TiO2 incorporated, exhibits superior properties overall compared to the other proposed glasses in this work, as well as 45S5 Bioglass® and Pyrex. PMID:27916951

Investigations of the electronic and magnetic properties of newly (001) surface LiCrS and LiCrSe half-Heusler compounds

NASA Astrophysics Data System (ADS)

Hussain, Moaid K.

2018-04-01

We analyzed the electronic and magnetic properties of newly (001) surface LiCrS and LiCrSe half-Heusler compounds with the C1b structure, based on calculations of the first principles. We examine the influences of (001) surface and correlation interactions on the structural properties and electricity and magnetism of the bulk and surface (001) LiCrS and LiCrSe half-Heusler compounds with two ideal terminations named Cr-S and li-li and Cr-Se and li-term terminated (001) surfaces, respectively. We noticed that the half-metallicity assured in the bulk is kept at the Cr-S and Cr-Se terminations, with a total spin polarization equal to 100%, with a wide range in the energy gap, and the magnetic moments calculated for both terminations were found to be equal to 29 µB/f.u., which have a great scientifics in varied application. For the li-li and li-term terminations, we noticed that the half-metallicity is destroy with a total spin polarization equal to 84 and 67%, respectively, with a magnetic moment of 25.5 µB/f.u. The calculated magnetic moment of all terminations was found of all the subsurface is close to that of the bulk system and this makes these compounds of maximum benefit in the pilot applications of spintronic systems.

EFFECT OF PRE-ALLOYING CONDITION ON THE BULK AMORPHOUS ALLOY ND(60)FE(30)AL(10).

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

OCONNOR,A.S.; LEWIS,L.H.; MCCALLUM,R.W.

Bulk metallic glasses are materials that require only modest cooling rates to obtain amorphous solids directly from the melt. Nd{sub 60}Fe{sub 30}Al{sub 10} has been reported to be a ferromagnetic bulk metallic glass that exhibits high coercivity, a combination unlike conventional Nd-based amorphous magnetic alloys. To clarify the relationship between short-range order and high coercivity in glassy Nd{sub 60}Fe{sub 30}Al{sub 10}, experiments were performed to verify the existence of a homogeneous liquid state prior to rapid solidification. Alloys were prepared by various pre-alloying routes and then melt-spun. Arc-melted alloys were prepared for melt spinning using three different protocols involving: (1)more » alloying all three elements at once, (2) forming a Nd-Fe alloy which was subsequently alloyed with Al, and (3) forming a Fe-Al alloy for subsequent alloying with Nd. XRD, DTA, and magnetic measurement data from the resultant ribbons indicate significant differences in both the glassy fraction and the crystalline phase present in the as-spun material. These observed differences are attributed to the presence of highly stable nanoscopic aluminide-and/or silicide-phases, or motes, present in the melt prior to solidification. These motes would affect the short-range order and coercivity of the resultant glassy state and are anticipated to provide heterogeneous nucleation sites for crystallization.« less

Electrodeposition of Metal on GaAs Nanowires

NASA Astrophysics Data System (ADS)

Liu, Chao; Einabad, Omid; Watkins, Simon; Kavanagh, Karen

2010-10-01

Copper (Cu) electrical contacts to freestanding gallium arsenide (GaAs) nanowires have been fabricated via electrodeposition. The nanowires are zincblende (111) oriented grown epitaxially on n-type Si-doped GaAs (111)B substrates by gold-catalyzed Vapor Liquid Solid (VLS) growth in a metal organic vapour phase epitaxy (MOVPE) reactor. The epitaxial electrodeposition process, based on previous work with bulk GaAs substrates, consists of a substrate oxide pre-etch in dilute ammonium-hydroxide carried out prior to galvanostatic electrodeposition in a pure Cu sulphate aqueous electrolyte at 20-60^oC. For GaAs nanowires, we find that Cu or Fe has a preference for growth on the gold catalyst avoiding the sidewalls. After removing gold, both metals still prefer to grow only on top of the nanowire, which has the largest potential field.

Hierarchically Superstructured Metal Sulfides: Facile Perturbation-Assisted Nanofusion Synthesis and Visible Light Photocatalytic Characterizations

DOE PAGES

Yue, Yanfeng; Li, Yunchao; Bridges, Craig A.; ...

2016-11-29

A novel and simple perturbation-assisted nanofusion (PNF) synthetic strategy was developed for the fabrication of stable hierarchically superstructured metal sulfides. This promising approach, based on a kinetically controlled precipitation to simultaneously condense and re-dissolve polymorphic nanocrystallites, provides the resultant samples with a unique mesoporous framework. This PNF approach is environmentally friendly, produces gram-scale products in a matter of hours, and is complimentary to traditional hard or soft templating methods for the construction of mesoporous metal sulfides. PNF derived hierarchical porous CdS exhibited a vastly improved photocatalytic performance over its commercial bulk counterpart under visible light irradiation, demonstrating the advantage ofmore » the porous morphology for photocatalysis resulting from the enlarged surface area and the easy accessibility of the mesopores.« less

Metallic surface states in elemental electrides

NASA Astrophysics Data System (ADS)

Naumov, Ivan I.; Hemley, Russell J.

2017-07-01

Recent high-pressure studies have uncovered an alternative class of materials, insulating electride phases created by compression of simple metals. These exotic insulating phases develop an unusual electronic structure: the valence electrons move away from the nuclei and condense at interstitial sites, thereby acquiring the role of atomic anions or even molecules. We show that they are also topological phases as they exhibit a wide diversity of metallic surface states (SSs) that are controlled by the bulk electronic structure. The electronic reconstruction occurs that involves charge transfer between the surfaces of opposite polarity making both of them metallic, resembling the appearance of the two-dimensional gas at the renowned SrTi O3 /LaAl O3 interface. Remarkably, these materials thus embody seemingly disparate physical concepts—chemical electron localization, topological control of bulk-surface conductivity, and the two-dimensional electron gas. Such metallic SSs could be probed by direct electrical resistance or by standard photoemission measurements on recovery to ambient conditions.

Understanding Interactions between Manganese Oxide and Gold That Lead to Enhanced Activity for Electrocatalytic Water Oxidation

PubMed Central

2015-01-01

To develop active nonprecious metal-based electrocatalysts for the oxygen evolution reaction (OER), a limiting reaction in several emerging renewable energy technologies, a deeper understanding of the activity of the first row transition metal oxides is needed. Previous studies of these catalysts have reported conflicting results on the influence of noble metal supports on the OER activity of the transition metal oxides. Our study aims to clarify the interactions between a transition metal oxide catalyst and its metal support in turning over this reaction. To achieve this goal, we examine a catalytic system comprising nanoparticulate Au, a common electrocatalytic support, and nanoparticulate MnOx, a promising OER catalyst. We conclusively demonstrate that adding Au to MnOx significantly enhances OER activity relative to MnOx in the absence of Au, producing an order of magnitude higher turnover frequency (TOF) than the TOF of the best pure MnOx catalysts reported to date. We also provide evidence that it is a local rather than bulk interaction between Au and MnOx that leads to the observed enhancement in the OER activity. Engineering improvements in nonprecious metal-based catalysts by the addition of Au or other noble metals could still represent a scalable catalyst as even trace amounts of Au are shown to lead a significant enhancement in the OER activity of MnOx. PMID:24661269

Understanding interactions between manganese oxide and gold that lead to enhanced activity for electrocatalytic water oxidation.

PubMed

Gorlin, Yelena; Chung, Chia-Jung; Benck, Jesse D; Nordlund, Dennis; Seitz, Linsey; Weng, Tsu-Chien; Sokaras, Dimosthenis; Clemens, Bruce M; Jaramillo, Thomas F

2014-04-02

To develop active nonprecious metal-based electrocatalysts for the oxygen evolution reaction (OER), a limiting reaction in several emerging renewable energy technologies, a deeper understanding of the activity of the first row transition metal oxides is needed. Previous studies of these catalysts have reported conflicting results on the influence of noble metal supports on the OER activity of the transition metal oxides. Our study aims to clarify the interactions between a transition metal oxide catalyst and its metal support in turning over this reaction. To achieve this goal, we examine a catalytic system comprising nanoparticulate Au, a common electrocatalytic support, and nanoparticulate MnO(x), a promising OER catalyst. We conclusively demonstrate that adding Au to MnO(x) significantly enhances OER activity relative to MnO(x) in the absence of Au, producing an order of magnitude higher turnover frequency (TOF) than the TOF of the best pure MnO(x) catalysts reported to date. We also provide evidence that it is a local rather than bulk interaction between Au and MnO(x) that leads to the observed enhancement in the OER activity. Engineering improvements in nonprecious metal-based catalysts by the addition of Au or other noble metals could still represent a scalable catalyst as even trace amounts of Au are shown to lead a significant enhancement in the OER activity of MnO(x).

Metal thin film growth on multimetallic surfaces: From quaternary metallic glass to binary crystal

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

Jing, Dapeng

2010-01-01

The work presented in this thesis mainly focuses on the nucleation and growth of metal thin films on multimetallic surfaces. First, we have investigated the Ag film growth on a bulk metallic glass surface. Next, we have examined the coarsening and decay of bilayer Ag islands on NiAl(110) surface. Third, we have investigated the Ag film growth on NiAl(110) surface using low-energy electron diffraction (LEED). At last, we have reported our investigation on the epitaxial growth of Ni on NiAl(110) surface. Some general conclusions can be drawn as follows. First, Ag, a bulk-crystalline material, initially forms a disordered wetting layermore » up to 4-5 monolayers on Zr-Ni-Cu-Al metallic glass. Above this coverage, crystalline 3D clusters grow, in parallel with the flatter regions. The cluster density increases with decreasing temperature, indicating that the conditions of island nucleation are far-from-equilibrium. Within a simple model where clusters nucleate whenever two mobile Ag adatoms meet, the temperature-dependence of cluster density yields a (reasonable) upper limit for the value of the Ag diffusion barrier on top of the Ag wetting layer of 0.32 eV. Overall, this prototypical study suggests that it is possible to grow films of a bulk-crystalline metal that adopt the amorphous character of a glassy metal substrate, if film thickness is sufficiently low. Next, the first study of coarsening and decay of bilayer islands has been presented. The system was Ag on NiAl(110) in the temperature range from 185 K to 250 K. The coarsening behavior, has some similarities to that seen in the Ag(110) homoepitaxial system studied by Morgenstern and co-workers. At 185 K and 205 K, coarsening of Ag islands follows a Smoluchowski ripening pathway. At 205 K and 250 K, the terrace diffusion limited Ostwald ripening dominants. The experimental observed temperature for the transition from SR to OR is 205 K. The SR exhibits anisotropic island diffusion and the OR exhibits 1D decay of island length while keeping the corresponding island width constant. Third, LEED indicates that, up to about 6 BL (12 ML), the Ag film adopts the (110) structure on lattice matched NiAl(110) surface, supporting the previous assignment based upon island heights measured in STM. Starting at 4.5 to 6 BL, (111) diffraction pattern is detected. This is also in agreement with previous STM study. Careful examinations of the LEED patterns reveal the slight difference in lattice constants between bulk Ag and bulk NiAl. At last, we performed STM studies of Ni deposition on NiAl(110) in the temperature range from 200 K to 400 K. Ni forms 'dense' Ni(100)-like islands on NiAl(110) with a zig-zag shaped stripe feature which is probably due to strain relief. DFT analysis provides insights into the island growth shapes, which are rationalized by the thermodynamics and kinetics of the film growth process. For thick Ni films (coverage exceeding 6 ML), a Ni(111)-like structure developed. Traditional MF theory is applied to analyze island density at 200 K. Deviation from homogeneous nucleation behavior for island size distribution and island density reveals the presence of heterogeneous nucleation mediated by the Ni antisite point defects on NiAl(110) surface.« less

Interface confined hydrogen evolution reaction in zero valent metal nanoparticles-intercalated molybdenum disulfide

PubMed Central

Chen, Zhongxin; Leng, Kai; Zhao, Xiaoxu; Malkhandi, Souradip; Tang, Wei; Tian, Bingbing; Dong, Lei; Zheng, Lirong; Lin, Ming; Yeo, Boon Siang; Loh, Kian Ping

2017-01-01

Interface confined reactions, which can modulate the bonding of reactants with catalytic centres and influence the rate of the mass transport from bulk solution, have emerged as a viable strategy for achieving highly stable and selective catalysis. Here we demonstrate that 1T′-enriched lithiated molybdenum disulfide is a highly powerful reducing agent, which can be exploited for the in-situ reduction of metal ions within the inner planes of lithiated molybdenum disulfide to form a zero valent metal-intercalated molybdenum disulfide. The confinement of platinum nanoparticles within the molybdenum disulfide layered structure leads to enhanced hydrogen evolution reaction activity and stability compared to catalysts dispersed on carbon support. In particular, the inner platinum surface is accessible to charged species like proton and metal ions, while blocking poisoning by larger sized pollutants or neutral molecules. This points a way forward for using bulk intercalated compounds for energy related applications. PMID:28230105

Nondestructive examination using neutron activated positron annihilation

DOEpatents

Akers, Douglas W.; Denison, Arthur B.

2001-01-01

A method is provided for performing nondestructive examination of a metal specimen using neutron activated positron annihilation wherein the positron emitter source is formed within the metal specimen. The method permits in situ nondestructive examination and has the advantage of being capable of performing bulk analysis to determine embrittlement, fatigue and dislocation within a metal specimen.

Propulsion and Energetics Panel Working Group 11 on Aircraft Fire Safety. Volume 2. Main Report

DTIC Science & Technology

1979-11-01

which make burning metal particles a potent igni- tion source and extinguishment of bulk metal fires a difficult task. In the latter case, the difficulty...aircraft to fires induced by uncon- tained engine failures and internal engine metal fires . With respect to the uncontained engine failure current engine

49 CFR 178.512 - Standards for steel, aluminum or other metal boxes.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 3 2013-10-01 2013-10-01 false Standards for steel, aluminum or other metal boxes...) SPECIFICATIONS FOR PACKAGINGS Non-bulk Performance-Oriented Packaging Standards § 178.512 Standards for steel, aluminum or other metal boxes. (a) The following are identification codes for steel, aluminum, or other...

49 CFR 178.512 - Standards for steel, aluminum or other metal boxes.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 3 2014-10-01 2014-10-01 false Standards for steel, aluminum or other metal boxes...) SPECIFICATIONS FOR PACKAGINGS Non-bulk Performance-Oriented Packaging Standards § 178.512 Standards for steel, aluminum or other metal boxes. (a) The following are identification codes for steel, aluminum, or other...

Asymptotic behavior of the Kohn-Sham exchange potential at a metal surface

NASA Astrophysics Data System (ADS)

Qian, Zhixin

2012-03-01

The asymptotic structure of the Kohn-Sham exchange potential vx(r) in the classically forbidden region of a metal surface is investigated, together with that of the Slater exchange potential VxS(r) and those of the approximate Krieger-Li-Iafrate VxKLI(r) and Harbola-Sahni Wx(r) exchange potentials. Particularly, the former is shown to have the form of vx(z→∞)=-αx/z with αx a constant dependent only of bulk electron density. The same result in previous work is thus confirmed; in the meanwhile, a controversy raised recently gets resolved. The structure of the exchange hole ρx(r,r') is examined, and the delocalization of it in the metal bulk when the electron is at large distance from the metal surface is demonstrated with analytical expressions. The asymptotic structures of vx(r), VxS(r), VxKLI(r), and Wx(r) at a slab metal surface are also investigated. Particularly, vx(z→∞)=-1/z in the slab case. The distinction, in this respect, between the semi-infinite and the slab metal surfaces is elucidated.

Inelastic scattering of electrons at real metal surfaces

NASA Astrophysics Data System (ADS)

Ding, Z.-J.

1997-04-01

A theory is presented to calculate the electron inelastic scattering cross section for a moving electron near the surface region at an arbitrary takeoff angle. The theory is based on using a bulk plasmon-pole approximation to derive the numerically computable expression of the electron self-energy in the random-phase approximation for a surface system, through the use of experimental optical constants. It is shown that the wave-vector-dependent surface dielectric function satisfies the surface sum rules in this scheme. The theory provides a detailed knowledge of electron self-energy depending on the kinetic energy, distance from surface, and velocity vector of an electron moving in any metal of a known dielectric constant, accommodating the formulation to practical situation in surface electron spectroscopies. Numerical computations of the energy-loss cross section have been made for Si and Au. The contribution to the total differential scattering cross section from each component is analyzed. The depth dependence informs us in detail how the bulk excitation mode changes to a surface excitation mode with an electron approaching the surface from the interior of a medium.

Fully Integrated Optical Spectrometer in Visible and Near-IR in CMOS.

PubMed

Hong, Lingyu; Sengupta, Kaushik

2017-12-01

Optical spectrometry in the visible and near-infrared range has a wide range of applications in healthcare, sensing, imaging, and diagnostics. This paper presents the first fully integrated optical spectrometer in standard bulk CMOS process without custom fabrication, postprocessing, or any external optical passive structure such as lenses, gratings, collimators, or mirrors. The architecture exploits metal interconnect layers available in CMOS processes with subwavelength feature sizes to guide, manipulate, control, diffract light, integrated photodetector, and read-out circuitry to detect dispersed light, and then back-end signal processing for robust spectral estimation. The chip, realized in bulk 65-nm low power-CMOS process, measures 0.64 mm 0.56 mm in active area, and achieves 1.4 nm in peak detection accuracy for continuous wave excitations between 500 and 830 nm. This paper demonstrates the ability to use these metal-optic nanostructures to miniaturize complex optical instrumentation into a new class of optics-free CMOS-based systems-on-chip in the visible and near-IR for various sensing and imaging applications.

Peculiar Piezoelectricity in Two-Dimensional Materials

NASA Astrophysics Data System (ADS)

Sevik, Cem; Cakir, Deniz; Gulseren, Oguz; Peeters, Francois M.

Recently, two dimensional materials with noncentrosymmetric structure have received significant interest due to their potential usage in piezoelectric applications. It has been reported by first principles calculations that relaxed-ion piezoelectric strain (d11) and stress (e11) coefficients of some transition metal dichalcogenide (TMDC) monolayers are comparable or even better than that of conventional bulk piezoelectric materials. Furthermore, e11 coefficient of MoS2 has been measured as 2.9 .10-10 C/m, which agrees well with the theoretical calculations. In order to deeply investigate this potential, we have performed first-principles calculations and systematically investigated the piezoelectric properties of various single layer structures: TMDCs, transition metal oxides, and hexagonal group II-VI compounds. The results clearly show that not only the Mo- and W-based TMDCs but also the other materials with Cr, Ti, Zr and Sn exhibit highly promising piezoelectric properties. Moreover, d11coefficient of some II-VI compounds have been predicted as quite larger than that of TMDCs and the bulk materials, α-quartz, w-GaN, and w-AlN which are widely used in applications.

A size-dependent constitutive model of bulk metallic glasses in the supercooled liquid region

PubMed Central

Yao, Di; Deng, Lei; Zhang, Mao; Wang, Xinyun; Tang, Na; Li, Jianjun

2015-01-01

Size effect is of great importance in micro forming processes. In this paper, micro cylinder compression was conducted to investigate the deformation behavior of bulk metallic glasses (BMGs) in supercooled liquid region with different deformation variables including sample size, temperature and strain rate. It was found that the elastic and plastic behaviors of BMGs have a strong dependence on the sample size. The free volume and defect concentration were introduced to explain the size effect. In order to demonstrate the influence of deformation variables on steady stress, elastic modulus and overshoot phenomenon, four size-dependent factors were proposed to construct a size-dependent constitutive model based on the Maxwell-pulse type model previously presented by the authors according to viscosity theory and free volume model. The proposed constitutive model was then adopted in finite element method simulations, and validated by comparing the micro cylinder compression and micro double cup extrusion experimental data with the numerical results. Furthermore, the model provides a new approach to understanding the size-dependent plastic deformation behavior of BMGs. PMID:25626690

Towards spin-polarized two-dimensional electron gas at a surface of an antiferromagnetic insulating oxide

DOE PAGES

Mishra, Rohan; Kim, Young -Min; He, Qian; ...

2016-07-18

Here, the surfaces of transition-metal oxides with the perovskite structure are fertile grounds for the discovery of novel electronic and magnetic phenomena. In this article, we combine scanning transmission electron microscopy (STEM) with density functional theory (DFT) calculations to obtain the electronic and magnetic properties of the (001) surface of a (LaFeO 3) 8/(SrFeO 3) 1 superlattice film capped with four layers of LaFeO 3. Simultaneously acquired STEM images and electron-energy-loss spectra reveal the surface structure and a reduction in the oxidation state of iron from Fe 3+ in the bulk to Fe 2+ at the surface, extending over severalmore » atomic layers, which signals the presence of oxygen vacancies. The DFT calculations confirm the reduction in terms of oxygen vacancies and further demonstrate the stabilization of an exotic phase in which the surface layer is half metallic and ferromagnetic, while the bulk remains antiferromagnetic and insulating. Based on the calculations, we predict that the surface magnetism and conductivity can be controlled by tuning the partial pressure of oxygen.« less

Ensemble and Single-Molecule Studies on Fluorescence Quenching in Transition Metal Bipyridine-Complexes

PubMed Central

Brox, Dominik; Kiel, Alexander; Wörner, Svenja Johanna; Pernpointner, Markus; Comba, Peter; Martin, Bodo; Herten, Dirk-Peter

2013-01-01

Beyond their use in analytical chemistry fluorescent probes continuously gain importance because of recent applications of single-molecule fluorescence spectroscopy to monitor elementary reaction steps. In this context, we characterized quenching of a fluorescent probe by different metal ions with fluorescence spectroscopy in the bulk and at the single-molecule level. We apply a quantitative model to explain deviations from existing standard models for fluorescence quenching. The model is based on a reversible transition from a bright to a dim state upon binding of the metal ion. We use the model to estimate the stability constants of complexes with different metal ions and the change of the relative quantum yield of different reporter dye labels. We found ensemble data to agree widely with results from single-molecule experiments. Our data indicates a mechanism involving close molecular contact of dye and quenching moiety which we also found in molecular dynamics simulations. We close the manuscript with a discussion of possible mechanisms based on Förster distances and electrochemical potentials which renders photo-induced electron transfer to be more likely than Förster resonance energy transfer. PMID:23483966

First principles calculation of elastic and magnetic properties of Cr-based full-Heusler alloys

NASA Astrophysics Data System (ADS)

Aly, Samy H.; Shabara, Reham M.

2014-06-01

We present an ab-initio study of the elastic and magnetic properties of Cr-based full-Heusler alloys within the first-principles density functional theory. The lattice constant, magnetic moment, bulk modulus and density of states are calculated using the full-potential nonorthogonal local-orbital minimum basis (FPLO) code in the Generalized Gradient Approximation (GGA) scheme. Only the two alloys Co2CrSi and Fe2CrSi are half-metallic with energy gaps of 0.88 and 0.55 eV in the spin-down channel respectively. We have predicted the metallicity state for Fe2CrSb, Ni2CrIn, Cu2CrIn, and Cu2CrSi alloys. Fe2CrSb shows a strong pressure dependent, e.g. exhibits metallicity at zero pressure and turns into a half-metal at P≥10 GPa. The total and partial magnetic moments of these alloys were studied under higher pressure, e.g. in Co2CrIn, the total magnetic moment is almost unchanged under higher pressure up to 500 GPa.

Nano-XRF Analysis of Metal Impurities Distribution at PL Active Grain Boundaries During mc-Silicon Solar Cell Processing

DOE PAGES

Bernardini, Simone; Johnston, Steve; West, Bradley; ...

2016-11-14

Metal impurities are known to hinder the performance of commercial Si-based solar cells by inducing bulk recombination, increasing leakage current, and causing direct shunting. Recently, a set of photoluminescence (PL) images of neighboring multicrystalline silicon wafers taken from a cell production line at different processing stages has been acquired. Both band-to-band PL and sub-bandgap PL (subPL) images showed various regions with different PL signal intensity. Interestingly, in several of these regions a reversal of the subPL intensity was observed right after the deposition of the antireflective coating. In this paper, we present the results of the synchrotron-based nano-X-ray fluorescence imagingmore » performed in areas characterized by the subPL reversal to evaluate the possible role of metal decoration in this uncommon behavior. Furthermore, the acquisition of a statistically meaningful set of data for samples taken at different stages of the solar cell manufacturing allows us to shine a light on the precipitation and rediffusion mechanisms of metal impurities at these grain boundaries.« less

An overview of biofunctionalization of metals in Japan

PubMed Central

Hanawa, Takao

2009-01-01

Surface modification is an important and predominant technique for obtaining biofunction and biocompatibility in metals for biomedical use. The surface modification technique is a process that changes the surface composition, structure and morphology of a material, leaving the bulk mechanical properties intact. A tremendous number of surface modification techniques using dry and wet processes to improve the hard tissue compatibility of titanium have been developed. Some are now commercially available. Most of these processes have been developed by Japanese institutions since the 1990s. A second approach is the immobilization of biofunctional molecules to the metal surface to control the adsorption of proteins and adhesion of cells, platelets and bacteria. The immobilization of poly(ethylene glycol) to a metal surface with electrodeposition and its effect on biofunction are reviewed. The creation of a metal–polymer composite is another way to obtain metal-based biofunctional materials. The relationship between the shear bonding strength and the chemical structure at the bonding interface of a Ti-segmentated polyurethane composite through a silane coupling agent is explained. PMID:19158014

Detection of bulk explosives using the GPR only portion of the HSTAMIDS system

NASA Astrophysics Data System (ADS)

Tabony, Joshua; Carlson, Douglas O.; Duvoisin, Herbert A., III; Torres-Rosario, Juan

2010-04-01

The legacy AN/PSS-14 (Army-Navy Portable Special Search-14) Handheld Mine Detecting Set (also called HSTAMIDS for Handheld Standoff Mine Detection System) has proven itself over the last 7 years as the state-of-the-art in land mine detection, both for the US Army and for Humanitarian Demining groups. Its dual GPR (Ground Penetrating Radar) and MD (Metal Detection) sensor has provided receiver operating characteristic curves (probability of detection or Pd versus false alarm rate or FAR) that routinely set the mark for such devices. Since its inception and type-classification in 2003 as the US (United States) Army standard, the desire for use of the AN/PSS-14 against alternate threats - such as bulk explosives - has recently become paramount. To this end, L-3 CyTerra has developed and tested bulk explosive detection and discrimination algorithms using only the Stepped Frequency Continuous Wave (SFCW) Ground Penetrating Radar (GPR) portion of the system, versus the fused version that is used to optimally detect land mines. Performance of the new bulk explosive algorithm against representative zero-metal bulk explosive target and clutter emplacements is depicted, with the utility to the operator also described.

Chemoelectronic circuits based on metal nanoparticles

NASA Astrophysics Data System (ADS)

Yan, Yong; Warren, Scott C.; Fuller, Patrick; Grzybowski, Bartosz A.

2016-07-01

To develop electronic devices with novel functionalities and applications, various non-silicon-based materials are currently being explored. Nanoparticles have unique characteristics due to their small size, which can impart functions that are distinct from those of their bulk counterparts. The use of semiconductor nanoparticles has already led to improvements in the efficiency of solar cells, the processability of transistors and the sensitivity of photodetectors, and the optical and catalytic properties of metal nanoparticles have led to similar advances in plasmonics and energy conversion. However, metals screen electric fields and this has, so far, prevented their use in the design of all-metal nanoparticle circuitry. Here, we show that simple electronic circuits can be made exclusively from metal nanoparticles functionalized with charged organic ligands. In these materials, electronic currents are controlled by the ionic gradients of mobile counterions surrounding the ‘jammed’ nanoparticles. The nanoparticle-based electronic elements of the circuitry can be interfaced with metal nanoparticles capable of sensing various environmental changes (humidity, gas, the presence of various cations), creating electronic devices in which metal nanoparticles sense, process and ultimately report chemical signals. Because the constituent nanoparticles combine electronic and chemical sensing functions, we term these systems ‘chemoelectronic’. The circuits have switching times comparable to those of polymer electronics, selectively transduce parts-per-trillion chemical changes into electrical signals, perform logic operations, consume little power (on the scale of microwatts), and are mechanically flexible. They are also ‘green’, in the sense that they comprise non-toxic nanoparticles cast at room temperature from alcohol solutions.

Creation of metal-independent hyperthermophilic L-arabinose isomerase by homologous recombination.

PubMed

Hong, Young-Ho; Lee, Dong-Woo; Pyun, Yu-Ryang; Lee, Sung Haeng

2011-12-28

Hyperthermophilic L-arabinose isomerases (AIs) are useful in the commercial production of D-tagatose as a low-calorie bulk sweetener. Their catalysis and thermostability are highly dependent on metals, which is a major drawback in food applications. To study the role of metal ions in the thermostability and catalysis of hyperthermophilic AI, four enzyme chimeras were generated by PCR-based hybridization to replace the variable N- and C-terminal regions of hyperthermophilic Thermotoga maritima AI (TMAI) and thermophilic Geobacillus stearothermophilus AI (GSAI) with those of the homologous mesophilic Bacillus halodurans AI (BHAI). Unlike Mn(2+)-dependent TMAI, the GSAI- and TMAI-based hybrids with the 72 C-terminal residues of BHAI were not metal-dependent for catalytic activity. By contrast, the catalytic activities of the TMAI- and GSAI-based hybrids containing the N-terminus (residues 1-89) of BHAI were significantly enhanced by metals, but their thermostabilities were poor even in the presence of Mn(2+), indicating that the effects of metals on catalysis and thermostability involve different structural regions. Moreover, in contrast to the C-terminal truncate (Δ20 residues) of GSAI, the N-terminal truncate (Δ7 residues) exhibited no activity due to loss of its native structure. The data thus strongly suggest that the metal dependence of the catalysis and thermostability of hyperthermophilic AIs evolved separately to optimize their activity and thermostability at elevated temperatures. This may provide effective target regions for engineering, thereby meeting industrial demands for the production of d-tagatose.

Chemoelectronic circuits based on metal nanoparticles.

PubMed

Yan, Yong; Warren, Scott C; Fuller, Patrick; Grzybowski, Bartosz A

2016-07-01

To develop electronic devices with novel functionalities and applications, various non-silicon-based materials are currently being explored. Nanoparticles have unique characteristics due to their small size, which can impart functions that are distinct from those of their bulk counterparts. The use of semiconductor nanoparticles has already led to improvements in the efficiency of solar cells, the processability of transistors and the sensitivity of photodetectors, and the optical and catalytic properties of metal nanoparticles have led to similar advances in plasmonics and energy conversion. However, metals screen electric fields and this has, so far, prevented their use in the design of all-metal nanoparticle circuitry. Here, we show that simple electronic circuits can be made exclusively from metal nanoparticles functionalized with charged organic ligands. In these materials, electronic currents are controlled by the ionic gradients of mobile counterions surrounding the 'jammed' nanoparticles. The nanoparticle-based electronic elements of the circuitry can be interfaced with metal nanoparticles capable of sensing various environmental changes (humidity, gas, the presence of various cations), creating electronic devices in which metal nanoparticles sense, process and ultimately report chemical signals. Because the constituent nanoparticles combine electronic and chemical sensing functions, we term these systems 'chemoelectronic'. The circuits have switching times comparable to those of polymer electronics, selectively transduce parts-per-trillion chemical changes into electrical signals, perform logic operations, consume little power (on the scale of microwatts), and are mechanically flexible. They are also 'green', in the sense that they comprise non-toxic nanoparticles cast at room temperature from alcohol solutions.

Nanophase cobalt, nickel and zinc ferrites: synchrotron XAS study on the crystallite size dependence of metal distribution.

PubMed

Nordhei, Camilla; Ramstad, Astrid Lund; Nicholson, David G

2008-02-21

Nanophase cobalt, nickel and zinc ferrites, in which the crystallites are in the size range 4-25 nm, were synthesised by coprecipitation and subsequent annealing. X-Ray absorption spectroscopy using synchrotron radiation (supported by X-ray powder diffraction) was used to study the effects of particle size on the distributions of the metal atoms over the tetrahedral and octahedral sites of the spinel structure. Deviations from the bulk structure were found which are attributed to the significant influence of the surface on very small particles. Like the bulk material, nickel ferrite is an inverse spinel in the nanoregime, although the population of metals on the octahedral sites increases with decreasing particle size. Cobalt ferrite and zinc ferrite take the inverse and normal forms of the spinel structure respectively, but within the nanoregime both systems show similar trends in being partially inverted. Further, in zinc ferrite, unlike the normal bulk structure, the nanophase system involves mixed coordinations of zinc(ii) and iron(iii) consistent with increasing partial inversion with size.

Chondritic Models of 4 Vesta: Comparison of Data from the Dawn Mission with Predicted Internal Structure and Surface Composition/Mineralogy

NASA Technical Reports Server (NTRS)

Toplis, M. J.; Mizzon, H.; Forni, O.; Monnereau, M.; Barrat, J-A.; Prettyman, T. H.; McSween, H. Y.; McCoy, T. J.; Mittlefehldt, D. W.; De Sanctis, M. C.;

Topological Material-Based Spin Devices

NASA Astrophysics Data System (ADS)

Zhang, Minhao; Wang, Xuefeng

Three-dimensional topological insulators have insulating bulk and gapless helical surface states. One of the most fascinating properties of the metallic surface states is the spin-momentum helical locking. The giant current-driven torques on the magnetic layer have been discovered in TI/ferromagnet bilayers originating from the spin-momentum helical locking, enabling the efficient magnetization switching with a low current density. We demonstrated the current-direction dependent on-off state in TIs-based spin valve devices for memory and logic applications. Further, we demonstrated the Bi2Se3 system will go from a topologically nontrivial state to a topologically trivial state when Bi atoms are replaced by lighter In atoms. Here, topologically trivial metal (BixIny)2 Se3 with high mobility also facilitates the realization of its application in multifunctional spintronic devices.

Free-Standing Metal Oxide Nanoparticle Superlattices Constructed with Engineered Protein Containers Show in Crystallo Catalytic Activity.

PubMed

Lach, Marcel; Künzle, Matthias; Beck, Tobias

2017-12-11

The construction of defined nanostructured catalysts is challenging. In previous work, we established a strategy to assemble binary nanoparticle superlattices with oppositely charged protein containers as building blocks. Here, we show that these free-standing nanoparticle superlattices are catalytically active. The metal oxide nanoparticles inside the protein scaffold are accessible for a range of substrates and show oxidase-like and peroxidase-like activity. The stable superlattices can be reused for several reaction cycles. In contrast to bulk nanoparticle-based catalysts, which are prone to aggregation and difficult to characterize, nanoparticle superlattices based on engineered protein containers provide an innovative synthetic route to structurally defined heterogeneous catalysts with control over nanoparticle size and composition. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Unified bulk-boundary correspondence for band insulators

NASA Astrophysics Data System (ADS)

Rhim, Jun-Won; Bardarson, Jens H.; Slager, Robert-Jan

2018-03-01

The bulk-boundary correspondence, a topic of intensive research interest over the past decades, is one of the quintessential ideas in the physics of topological quantum matter. Nevertheless, it has not been proven in all generality and has in certain scenarios even been shown to fail, depending on the boundary profiles of the terminated system. Here, we introduce bulk numbers that capture the exact number of in-gap modes, without any such subtleties in one spatial dimension. Similarly, based on these 1D bulk numbers, we define a new 2D winding number, which we call the pole winding number, that specifies the number of robust metallic surface bands in the gap as well as their topological character. The underlying general methodology relies on a simple continuous extrapolation from the bulk to the boundary, while tracking the evolution of Green's function's poles in the vicinity of the bulk band edges. As a main result we find that all the obtained numbers can be applied to the known insulating phases in a unified manner regardless of the specific symmetries. Additionally, from a computational point of view, these numbers can be effectively evaluated without any gauge fixing problems. In particular, we directly apply our bulk-boundary correspondence construction to various systems, including 1D examples without a traditional bulk-boundary correspondence, and predict the existence of boundary modes on various experimentally studied graphene edges, such as open boundaries and grain boundaries. Finally, we sketch the 3D generalization of the pole winding number by in the context of topological insulators.

Non-local geometry inside Lifshitz horizon

NASA Astrophysics Data System (ADS)

Hu, Qi; Lee, Sung-Sik

2017-07-01

Based on the quantum renormalization group, we derive the bulk geometry that emerges in the holographic dual of the fermionic U( N ) vector model at a nonzero charge density. The obstruction that prohibits the metallic state from being smoothly deformable to the direct product state under the renormalization group flow gives rise to a horizon at a finite radial coordinate in the bulk. The region outside the horizon is described by the Lifshitz geometry with a higher-spin hair determined by microscopic details of the boundary theory. On the other hand, the interior of the horizon is not described by any Riemannian manifold, as it exhibits an algebraic non-locality. The non-local structure inside the horizon carries the information on the shape of the filled Fermi sea.

Exploring the Relationship Between Planet Mass and Atmospheric Metallicity for Cool Giant Planets

NASA Astrophysics Data System (ADS)

Thomas, Nancy H.; Wong, Ian; Knutson, Heather; Deming, Drake; Desert, Jean-Michel; Fortney, Jonathan J.; Morley, Caroline; Kammer, Joshua A.; Line, Michael R.

2016-10-01

Measurements of the average densities of exoplanets have begun to help constrain their bulk compositions and to provide insight into their formation locations and accretionary histories. Current mass and radius measurements suggest an inverse relationship between a planet's bulk metallicity and its mass, a relationship also seen in the gas and ice giant planets of our own solar system. We expect atmospheric metallicity to similarly increase with decreasing planet mass, but there are currently few constraints on the atmospheric metallicities of extrasolar giant planets. For hydrogen-dominated atmospheres, equilibrium chemistry models predict a transition from CO to CH4 below ~1200 K. However, with increased atmospheric metallicity the relative abundance of CH4 is depleted and CO is enhanced. In this study we present new secondary eclipse observations of a set of cool (<1200 K) giant exoplanets at 3.6 and 4.5 microns using the Spitzer Space Telescope, which allow us to constrain their relative abundances of CH4 and CO and corresponding atmospheric metallicities. We discuss the implications of our results for the proposed correlation between planet mass and atmospheric metallicity as predicted by the core accretion models and observed in our solar system.

Effect of composition on the structure of lithium- and manganese-rich transition metal oxides

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

Shukla, Alpesh Khushalchand; Ramasse, Quentin M.; Ophus, Colin

In this work, we establish a definitive structural model for lithium- and manganese-rich transition metal oxides and demonstrate the effect of composition on their bulk as well as the surface structure.

Effect of composition on the structure of lithium- and manganese-rich transition metal oxides

DOE PAGES

Shukla, Alpesh Khushalchand; Ramasse, Quentin M.; Ophus, Colin; ...

2018-01-01

In this work, we establish a definitive structural model for lithium- and manganese-rich transition metal oxides and demonstrate the effect of composition on their bulk as well as the surface structure.

MICROWAVE-ASSISTED SHAPE-CONTROLLED BULK SYNTHESIS OF NOBLE NANOCRYSTALS AND THEIR CATALYTIC PROPERTIES

EPA Science Inventory

Bulk and shape-controlled synthesis of gold (Au) nanostructures with various shapes such as prisms, cubes and hexagons is described that occurs via microwave-assisted spontaneous reduction of noble metal salts using an aqueous solution of α-D-glucose, sucrose and maltose. The exp...

Effect of native oxide layers on copper thin-film tensile properties: A reactive molecular dynamics study

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

Skarlinski, Michael D., E-mail: michael.skarlinski@rochester.edu; Quesnel, David J.; Department of Mechanical Engineering, University of Rochester, Rochester, New York 14627

2015-12-21

Metal-oxide layers are likely to be present on metallic nano-structures due to either environmental exposure during use, or high temperature processing techniques such as annealing. It is well known that nano-structured metals have vastly different mechanical properties from bulk metals; however, difficulties in modeling the transition between metallic and ionic bonding have prevented the computational investigation of the effects of oxide surface layers. Newly developed charge-optimized many body [Liang et al., Mater. Sci. Eng., R 74, 255 (2013)] potentials are used to perform fully reactive molecular dynamics simulations which elucidate the effects that metal-oxide layers have on the mechanical propertiesmore » of a copper thin-film. Simulated tensile tests are performed on thin-films while using different strain-rates, temperatures, and oxide thicknesses to evaluate changes in yield stress, modulus, and failure mechanisms. Findings indicate that copper-thin film mechanical properties are strongly affected by native oxide layers. The formed oxide layers have an amorphous structure with lower Cu-O bond-densities than bulk CuO, and a mixture of Cu{sub 2}O and CuO charge character. It is found that oxidation will cause modifications to the strain response of the elastic modulii, producing a stiffened modulii at low temperatures (<75 K) and low strain values (<5%), and a softened modulii at higher temperatures. While under strain, structural reorganization within the oxide layers facilitates brittle yielding through nucleation of defects across the oxide/metal interface. The oxide-free copper thin-film yielding mechanism is found to be a tensile-axis reorientation and grain creation. The oxide layers change the observed yielding mechanism, allowing for the inner copper thin-film to sustain an FCC-to-BCC transition during yielding. The mechanical properties are fit to a thermodynamic model based on classical nucleation theory. The fit implies that the oxidation of the films reduces the activation volume for yielding.« less

The Vitrification and Determination of the Crystallization Time Scales of a Zr58.5Nb2.8Cu15.6Ni12.8Al10.3 Bulk Metallic Glass Forming Liquid

NASA Technical Reports Server (NTRS)

Hays, C. C.; Schroers, J.; Johnson, W. L.; Rathz, T. J.; Hyers, R. W.; Rogers, J. R.; Robinson, M. B.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Zr58.5Nb2.8Cul5.6Nil2.8All0.3 is the first bulk glass forming liquid that does not contain beryllium to be vitrified by purely radiative cooling in the containerless electrostatic levitation process. The measured critical cooling rate is 1.75 K/s. The sluggish crystallization kinetics enable the determination of the time-temperature-transformation (TTT) diagram between the liquidus and the glass transition temperatures. At the nose of the TTT diagram, the shortest time to reach crystallization in an isothermal experiment is 32 seconds. In contrast to other bulk metallic glasses the scatter in the crystallization onset times are small at both high and low temperatures.

First Principles Studies of Electronic and Optical Excitations in Noble Metal and Titania Clusters

NASA Astrophysics Data System (ADS)

Baishya, Kopinjol

Clusters are metastable structures that form a bridge between the atomic and the bulk phase. Due to their small size, quantum confinement effects are very important in clusters. They also have large surface to volume ratio, and as such, surface effects are also important. Due to these effects the properties of clusters are quite different from those of the bulk. When the size of a cluster is increased, its properties change from atomic to bulk values usually in nontrivial ways, often displaying interesting effects. By studying the evolution of cluster properties as a function of size one can try to understand the evolution and origin of bulk properties. This thesis concentrates on two main topics, noble-metal clusters of Ag and Cu, and TiO2 nanocrystals. I present my study of the optical properties of these systems calculated using first principles methods. Noble metal clusters have intriguing physical and chemical properties due to their electronic structure that contains a fully filled and localized d orbital energetically and spatially very close to the half filled s orbital. In Chapters 3 and 4 of this thesis, I present a detailed study of the role of d electrons on the optical properties of Ag and Cu clusters. I also show that the optical spectra of these clusters can be explained remarkably well by the classical Mie-Gans theory which uses the bulk dielectric constant of the material to predict their optical absorption spectra. The fact that the concept of the bulk dielectric constant survives up to the sub-nanometer size range is one of the main findings of this thesis. TiO2 is arguably the most studied single-crystalline material in the field of surface science of metal oxides. In chapter 5 of this thesis I present results and analyses on the electronic and optical excitations in rutile TiO2 nanocrystals. The motivation for this study stems from the following observation: In modeling optical prooperties of DSSC configurations with various organic molecules, a typical approach has been to use a finite, appropriately passivated TiO2 nanocrystal in order to limit the computational demand. In real systems on the other hand, the size of nanocrystalline TiO2 is of the order of several hundreds of nanometers, and hence, they can be considered to be essentially bulk-like. The question is then, whether finite TiO2 nanoparticles can accurately model the optical properties of bulk TiO2. I show in my thesis that the optical absorption absorption spectra of such TiO2 nanocrystals do not have the particular features seen in the imaginary part of the bulk dielectric function of TiO 2 associated with the van Hove singularities in the electronic density of states. Instead, the absorption spectra of bulk-terminated TiO2 nanocrystals can be reproduced quite well by the Mie-Gans theory.

Poisson's ratio and the densification of glass under high pressure.

PubMed

Rouxel, T; Ji, H; Hammouda, T; Moréac, A

2008-06-06

Because of a relatively low atomic packing density, (Cg) glasses experience significant densification under high hydrostatic pressure. Poisson's ratio (nu) is correlated to Cg and typically varies from 0.15 for glasses with low Cg such as amorphous silica to 0.38 for close-packed atomic networks such as in bulk metallic glasses. Pressure experiments were conducted up to 25 GPa at 293 K on silica, soda-lime-silica, chalcogenide, and bulk metallic glasses. We show from these high-pressure data that there is a direct correlation between nu and the maximum post-decompression density change.

In-situ study of crystallization kinetics in ternary bulk metallic glass alloys with different glass forming abilities

DOE PAGES

Lan, Si; Wei, Xiaoya; Zhou, Jie; ...

2014-11-18

In-situ transmission electron microcopy and time-resolved neutron diffraction were used to study crystallization kinetics of two ternary bulk metallic glasses during isothermal annealing in the supercooled liquid region. It is found that the crystallization of Zr 56Cu 36Al 8, an average glass former, follows continuous nucleation and growth, while that of Zr 46Cu 46Al 8, a better glass former, is characterized by site-saturated nucleation, followed by slow growth. Possible mechanisms for the observed differences and the relationship to the glass forming ability are discussed.

Particle size and metals concentrations of dust from a paint manufacturing plant.

PubMed

Huang, Siew Lai; Yin, Chun-Yang; Yap, Siaw Yang

2010-02-15

In this study, the particle size distribution and concentration of metallic elements of solvent- and water-based paint dust from bulk dust collected from dust-collecting hoppers were determined. The mean particle size diameter over a 12-week sampling period was determined using a particle size analyzer. The metals composition and concentration of the dust were determined via acid digestion technique followed by concentration analysis using inductively coupled plasma. The volume weighted mean particle diameters were found to be 0.941+/-0.016 and 8.185+/-0.201 microm for solvent- and water-based paint dust, respectively. The mean concentrations of metals in solvent-based paint dust were found to be 100+/-20.00 microg/g (arsenic), 1550+/-550.00 microg/g (copper), 15,680+/-11,780.00 microg/g (lead) and 30,460+/-10,580.00 microg/g (zinc) while the mean concentrations of metals in water-based paint dust were found to be 20.65+/-6.11 microg/g (arsenic), 9.14+/-14.65 microg/g (copper), 57.46+/-22.42 microg/g (lead) and 1660+/-1260 microg/g (zinc). Both paint dust types could be considered as hazardous since almost all of the dust particles were smaller than 10 microm. Particular emphasis on containment of solvent-based paint dust particles should be given since it was shown that they were very fine in size (<1 microm) and had high lead and zinc concentrations.

Cavitation instability in bulk metallic glasses

NASA Astrophysics Data System (ADS)

Dai, L. H.; Huang, X.; Ling, Z.

2015-09-01

Recent experiments have shown that fracture surfaces of bulk metallic glasses (BMGs) usually exhibit an intriguing nanoscale corrugation like fractographic feature mediated by nanoscale void formation. We attribute the onset of this nanoscale corrugation to TTZs (tension transformation zones) mediated cavitation. In our recent study, the spall experiments of Zr-based BMG using a single-stage light gas gun were performed. To uncover the mechanisms of the spallation damage nucleation and evolution, the samples were designed to be subjected to dynamic tensile loadings of identical amplitude but with different durations by making use of the multi-stress pulse and the double-flyer techniques. It is clearly revealed that the macroscopic spall fracture in BMGs originates from the nucleation, growth and coalescence of micro-voids. Then, a microvoid nucleation model of BMGs based on free volume theory is proposed, which indicates that the nucleation of microvoids at the early stage of spallation in BMGs is resulted from diffusion and coalescence of free volume. Furthermore, a theoretical model of void growth in BMGs undergoing remote dynamic hydrostatic tension is developed. The critical condition of cavitation instability is obtained. It is found that dynamic void growth in BMGs can be well controlled by a dimensionless inertial number characterizing the competition between intrinsic and extrinsic time scales. To unveil the atomic-level mechanism of cavitation, a systematic molecular dynamics (MD) simulation of spallation behaviour of a binary metallic glass with different impact velocities was performed. It is found that micro-void nucleation is determined TTZs while the growth is controlled by shear transformation zones (STZs) at atomic scale.

Antineoplastic Activity Comparison of Bovine Serum Albumin--Conjugated Sulfides Semiconductor Nanomaterials.

PubMed

Wang, Hua-Jie; Huang, Jing-Chun; Wu, Sha-Sha; Wang, Cai-Feng; Yu, Xue-Hong; Cao, Ying

2015-04-01

Although tumor is one of the most frequently occurring diseases and a leading cause of death, nanotechnology, one of the frontier sciences, is exhibiting its great potential to tumor treatments. The aim of this study was to design a facile and environmentally-friendly method to prepare bovine serum albumin-conjugated heavy metal sulfides nano-materials, including Ag2S, PbS and CdS. Here, bovine serum albumin was introduced in order to direct the synthesis of nano-materials by using its template effect and supply more sites for further modification in future. The crystal structure and morphology were analyzed by XRD and TEM, respectively. Additionally, the antineoplastic activity of nano-materials was compared by cell viability analysis, optical and electron microscopy observation after exposure of the human hepatoma cell line. The results showed that the inhibition effect of heavy metal sulfides on tumor cells was in the order of nano-PbS > bulk CdS > nano-Ag2S > nano-CdS > bulk PbS > bulk Ag2S. It could be concluded that heavy metal sulfides had significantly negative impact on human hepatoma cells growth but it could not be obviously generalized that nano-particles were always more effective to kill tumor cells than bulk materials. The size and surface reactivity might be the important factors causing the difference.

Strain stabilization and thickness dependence of magnetism in epitaxial transition metal monosilicide thin films on Si(111)

NASA Astrophysics Data System (ADS)

Geisler, Benjamin; Kratzer, Peter

2013-09-01

We present a comprehensive study of different 3d transition metal monosilicides in their ground state crystal structure (B20), ranging from equilibrium bulk over biaxially strained bulk to epitaxial thin films on Si(111), by means of density functional theory. The magnetic properties of MnSi and FeSi films are found to be considerably modified due to the epitaxial strain induced by the substrate. In MnSi bulk material, which can be seen as a limit of thick films, we find a strain-induced volume expansion, an increase of the magnetic moments, and a significant rise of the energy difference between different spin configurations. The latter can be associated with an increase of the Curie temperature, which is in accordance with recent experimental results. While a ferromagnetic spin alignment is found to be the ground state also for ultrathin films, we show that for films of intermediate thickness a partially compensating magnetic ordering is more favorable; however, the films retain a net magnetic moment. Furthermore, we analyze the orbital structure in FeSi around the band gap, which can be located somewhere in the density of states for all studied B20 transition metal monosilicides, and find that FeSi becomes metallic and ferromagnetic under epitaxial strain. Finally, the influence of on-site electronic correlation and the reliability of ab initio calculations for 3d transition metal monosilicides are discussed.

Surface chemistry, friction, and wear of Ni-Zn and Mn-Zn ferrites in contact with metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1983-01-01

X-ray photoelectron and Auger electron spectroscopy analysis were used in sliding friction experiments. These experiments were conducted with hot-pressed polycrystalline Ni-Zn and Mn-Zn ferrites, and single-crystal Mn-Zn ferrite in contact with various transition metals at room temperature in both vacuum and argon. The results indicate that Ni2O3 and Fe3O4 were present on the Ni-Zn ferrite surface in addition to the nominal bulk constituents, while MnO2 and Fe3O4 were present on the Mn-Zn ferrite surface in addition to the nominal bulk constituents. The coefficients of friction for the ferrites in contact with metals were related to the relative chemical activity of these metals. The more active the metal, the higher is the coefficient of friction. The coefficients of friction for the ferrites were correlated with the free energy of formation of the lowest metal oxide. The interfacial bond can be regarded as a chemical bond between the metal atoms and the oxygen anions in the ferrite surfaces. The adsorption of oxygen on clean metal and ferrite does strengthen the metal-ferrite contact and increase the friction. The ferrites exhibit local cracking and fracture with sliding under adhesive conditions. All the metals transferred to the surfaces of the ferrites in sliding. Previously announced in STAR as N83-19901

Surface chemistry, friction and wear of Ni-Zn and Mn-Zn ferrites in contact with metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1982-01-01

X-ray photoelectron and Auger electron spectroscopy analysis were used in sliding friction experiments. These experiments were conducted with hot-pressed polycrystalline Ni-Zn and Mn-Zn ferrites, and single-crystal Mn-Zn ferrite in contact with various transition metals at room temperature in both vacuum and argon. The results indicate that Ni2O3 and Fe3O4 were present on the Ni-Zn ferrite surface in addition to the nominal bulk constituents, while MnO2 and Fe3O4 were present on the Mn-Zn ferrite surface in addition to the nominal bulk constituents. The coefficients of friction for the ferrites in contact with metals were related to the relative chemical activity of these metals. The more active the metal, the higher is the coefficient of friction. The coefficients of friction for the ferrites were correlated with the free energy of formation of the lowest metal oxide. The interfacial bond can be regarded as a chemical bond between the metal atoms and the oxygen anions in the ferrite surfaces. The adsorption of oxygen on clean metal and ferrite does strengthen the metal-ferrite contact and increase the friction. The ferrites exhibit local cracking and fracture with sliding under adhesive conditions. All the metals transferred to he surfaces of the ferrites in sliding.

Interactions of trace metals with hydrogels and filter membranes used in DET and DGT techniques.

PubMed

Garmo, Oyvind A; Davison, William; Zhang, Hao

2008-08-01

Equilibrium partitioning of trace metals between bulk solution and hydrogels/filter was studied. Under some conditions, trace metal concentrations were higher in the hydrogels or filter membranes compared to bulk solution (enrichment). In synthetic soft water, enrichment of cationic trace metals in polyacrylamide hydrogels decreased with increasing trace metal concentration. Enrichment was little affected by Ca and Mg in the concentration range typically encountered in natural freshwaters, indicating high affinity but low capacity binding of trace metals to solid structure in polyacrylamide gels. The apparent binding strength decreased in the sequence: Cu > Pb > Ni approximately to Cd approximately to Co and a low concentration of cationic Cu eliminated enrichment of weakly binding trace metal cations. The polyacrylamide gels also had an affinity for fulvic acid and/or its trace metal complexes. Enrichment of cationic Cd in agarose gel and hydrophilic polyethersulfone filter was independent of concentration (10 nM to 5 microM) but decreased with increasing Ca/ Mg concentration and ionic strength, suggesting that it is mainly due to electrostatic interactions. However, Cu and Pb were enriched even after equilibration in seawater, indicating that these metals additionally bind to sites within the agarose gel and filter. Compared to the polyacrylamide gels, agarose gel had a lower affinity for metal-fulvic complexes. Potential biases in measurements made with the diffusive equilibration in thin-films (DET) technique, identified by this work, are discussed.

An oscillator based on a single Au nanocluster

NASA Astrophysics Data System (ADS)

Gorshkov, O. N.; Filatov, D. O.; Antonov, D. A.; Antonov, I. N.; Shenina, M. E.; Pavlov, D. A.

2017-01-01

Metal nanoclusters embedded into the ultrathin dielectric films attracted much attention in recent years due to their unusual electronic, optical, etc., properties differing from those of the bulk metals essentially and, hence, to the prospects of their applications in novel nanoelectronic, single electronic, non-volatile memory, etc., devices. Here, we report on the experimental observation of the electrical oscillations in an oscillating loop connected to a contact of a conductive probe of an Atomic Force Microscope to a tunnel-transparent ( ˜6.5 nm thick) yttria stabilized zirconia film with embedded Au nanoclusters on the Si substrate. The oscillations were attributed to the negative differential resistance of the probe-to-sample contact originating from the resonant electron tunnelling between the probe and the Si substrate via the quantum confined electron energy levels in small ( ≈2.5 nm in diameter) Au nanoclusters. This observation demonstrates the prospects of building an oscillator nanoelectronic device based on an individual nanometer-sized metal nanocluster.

Nanoporous Gold as a Platform for a Building Block Catalyst

DOE PAGES

Wittstock, Arne; Wichmann, Andre; Baeumer, Marcus

2012-09-25

The porous bulk materials are of great interest in catalysis because they can be employed in heterogeneous gas and liquid phase catalysis, electrocatalysis, and in electrocatalytic sensing. Nanoporous gold gained considerable attraction in this context because it is the prime example of a corrosion-derived nanoporous bulk metal. Moreover, the material was shown to be a very active and selective Au type catalyst for a variety of oxidation reactions. In leveraging the functionalization of the surface of the material with various additives, its catalytic applications can be extended and tuned. In this review, we will summarize recent developments in using nanoporousmore » gold as the platform for the development of high performance catalytic materials by adding metals, metal oxides, and molecular functionalities as building blocks.« less

Predicting Novel Bulk Metallic Glasses via High- Throughput Calculations

NASA Astrophysics Data System (ADS)

Perim, E.; Lee, D.; Liu, Y.; Toher, C.; Gong, P.; Li, Y.; Simmons, W. N.; Levy, O.; Vlassak, J.; Schroers, J.; Curtarolo, S.

Bulk metallic glasses (BMGs) are materials which may combine key properties from crystalline metals, such as high hardness, with others typically presented by plastics, such as easy processability. However, the cost of the known BMGs poses a significant obstacle for the development of applications, which has lead to a long search for novel, economically viable, BMGs. The emergence of high-throughput DFT calculations, such as the library provided by the AFLOWLIB consortium, has provided new tools for materials discovery. We have used this data to develop a new glass forming descriptor combining structural factors with thermodynamics in order to quickly screen through a large number of alloy systems in the AFLOWLIB database, identifying the most promising systems and the optimal compositions for glass formation. National Science Foundation (DMR-1436151, DMR-1435820, DMR-1436268).

Topological Superconductivity on the Surface of Fe-Based Superconductors.

PubMed

Xu, Gang; Lian, Biao; Tang, Peizhe; Qi, Xiao-Liang; Zhang, Shou-Cheng

2016-07-22

As one of the simplest systems for realizing Majorana fermions, the topological superconductor plays an important role in both condensed matter physics and quantum computations. Based on ab initio calculations and the analysis of an effective 8-band model with superconducting pairing, we demonstrate that the three-dimensional extended s-wave Fe-based superconductors such as Fe_{1+y}Se_{0.5}Te_{0.5} have a metallic topologically nontrivial band structure, and exhibit a normal-topological-normal superconductivity phase transition on the (001) surface by tuning the bulk carrier doping level. In the topological superconductivity (TSC) phase, a Majorana zero mode is trapped at the end of a magnetic vortex line. We further show that the surface TSC phase only exists up to a certain bulk pairing gap, and there is a normal-topological phase transition driven by the temperature, which has not been discussed before. These results pave an effective way to realize the TSC and Majorana fermions in a large class of superconductors.

One-dimensional organic lead halide perovskites with efficient bluish white-light emission

NASA Astrophysics Data System (ADS)

Yuan, Zhao; Zhou, Chenkun; Tian, Yu; Shu, Yu; Messier, Joshua; Wang, Jamie C.; van de Burgt, Lambertus J.; Kountouriotis, Konstantinos; Xin, Yan; Holt, Ethan; Schanze, Kirk; Clark, Ronald; Siegrist, Theo; Ma, Biwu

2017-01-01

Organic-inorganic hybrid metal halide perovskites, an emerging class of solution processable photoactive materials, welcome a new member with a one-dimensional structure. Herein we report the synthesis, crystal structure and photophysical properties of one-dimensional organic lead bromide perovskites, C4N2H14PbBr4, in which the edge sharing octahedral lead bromide chains [PbBr4 2-]∞ are surrounded by the organic cations C4N2H14 2+ to form the bulk assembly of core-shell quantum wires. This unique one-dimensional structure enables strong quantum confinement with the formation of self-trapped excited states that give efficient bluish white-light emissions with photoluminescence quantum efficiencies of approximately 20% for the bulk single crystals and 12% for the microscale crystals. This work verifies once again that one-dimensional systems are favourable for exciton self-trapping to produce highly efficient below-gap broadband luminescence, and opens up a new route towards superior light emitters based on bulk quantum materials.

One-dimensional organic lead halide perovskites with efficient bluish white-light emission

PubMed Central

Yuan, Zhao; Zhou, Chenkun; Tian, Yu; Shu, Yu; Messier, Joshua; Wang, Jamie C.; van de Burgt, Lambertus J.; Kountouriotis, Konstantinos; Xin, Yan; Holt, Ethan; Schanze, Kirk; Clark, Ronald; Siegrist, Theo; Ma, Biwu

2017-01-01

Organic-inorganic hybrid metal halide perovskites, an emerging class of solution processable photoactive materials, welcome a new member with a one-dimensional structure. Herein we report the synthesis, crystal structure and photophysical properties of one-dimensional organic lead bromide perovskites, C4N2H14PbBr4, in which the edge sharing octahedral lead bromide chains [PbBr4 2−]∞ are surrounded by the organic cations C4N2H14 2+ to form the bulk assembly of core-shell quantum wires. This unique one-dimensional structure enables strong quantum confinement with the formation of self-trapped excited states that give efficient bluish white-light emissions with photoluminescence quantum efficiencies of approximately 20% for the bulk single crystals and 12% for the microscale crystals. This work verifies once again that one-dimensional systems are favourable for exciton self-trapping to produce highly efficient below-gap broadband luminescence, and opens up a new route towards superior light emitters based on bulk quantum materials. PMID:28051092

One-dimensional organic lead halide perovskites with efficient bluish white-light emission.

PubMed

Yuan, Zhao; Zhou, Chenkun; Tian, Yu; Shu, Yu; Messier, Joshua; Wang, Jamie C; van de Burgt, Lambertus J; Kountouriotis, Konstantinos; Xin, Yan; Holt, Ethan; Schanze, Kirk; Clark, Ronald; Siegrist, Theo; Ma, Biwu

2017-01-04

Organic-inorganic hybrid metal halide perovskites, an emerging class of solution processable photoactive materials, welcome a new member with a one-dimensional structure. Herein we report the synthesis, crystal structure and photophysical properties of one-dimensional organic lead bromide perovskites, C 4 N 2 H 14 PbBr 4 , in which the edge sharing octahedral lead bromide chains [PbBr 4   2- ] ∞ are surrounded by the organic cations C 4 N 2 H 14   2+ to form the bulk assembly of core-shell quantum wires. This unique one-dimensional structure enables strong quantum confinement with the formation of self-trapped excited states that give efficient bluish white-light emissions with photoluminescence quantum efficiencies of approximately 20% for the bulk single crystals and 12% for the microscale crystals. This work verifies once again that one-dimensional systems are favourable for exciton self-trapping to produce highly efficient below-gap broadband luminescence, and opens up a new route towards superior light emitters based on bulk quantum materials.

The use of graphene based materials for fuel cell, photovoltaics, and supercapacitor electrode materials

NASA Astrophysics Data System (ADS)

Tsang, Alpha C. H.; Kwok, Holly Y. H.; Leung, Dennis Y. C.

2017-05-01

This manuscript presents the methodology of the production of 2D and 3D graphene based material, and their applications in fuel cell, supercapacitor, and photovoltic in recent years. Due to the uniqueness and attractive properties of graphene nanosheets, a large number of techniques have been developed for raw graphene preparation, from a chemical method to a physical deposition of carbon vapor under extreme conditions. A variety of graphene based materials were also prepared from raw graphene or graphene oxide, including the metal loaded, metal oxides loaded, to the foreign elements doped graphene. Both two-dimensional (2D) to three-dimensional (3D) structured graphene were covered. These materials included the bulk or template hybrid composite, containing graphene hydrogel, graphene aerogel, or graphene foam and its derived products. They were widely used in green energy device research, which exhibited strong activity, and developed some special usage in recent research.

NASCAP-2K Version 4.2 Users Manual

DTIC Science & Technology

2014-10-31

the surface element is metal or dielectric coating , the conductivity and capacitance (if a coating ), and the electron emission stimulated by incident...film covering an underlying conductor in meters. It is ignored for conductors . Bulk conductivity . This property is the bulk conductivity of the...surface material in ohms-1 m-1. A negative value indicates that the material is a conductor . If the bulk conductivity is in excess of 10-4 Ω-1 m-1, the

Effect of chemically converted graphene as an electrode interfacial modifier on device-performances of inverted organic photovoltaic cells

NASA Astrophysics Data System (ADS)

Kang, Tae-Woon; Noh, Yong-Jin; Yun, Jin-Mun; Yang, Si-Young; Yang, Yong-Eon; Lee, Hae-Seong; Na, Seok-In

2015-06-01

This study examined the effects of chemically converted graphene (CCG) materials as a metal electrode interfacial modifier on device-performances of inverted organic photovoltaic cells (OPVs). As CCG materials for interfacial layers, a conventional graphene oxide (GO) and reduced graphene oxide (rGO) were prepared, and their functions on OPV-performances were compared. The inverted OPVs with CCG materials showed all improved cell-efficiencies compared with the OPVs with no metal/bulk-heterojunction (BHJ) interlayers. In particular, the inverted OPVs with reduction form of GO showed better device-performances than those with GO and better device-stability than poly(3,4-ethylenedioxythiophene): poly(styrenesulfonate) (PEDOT:PSS)-based inverted solar cells, showing that the rGO can be more desirable as a metal/BHJ interfacial material for fabricating inverted-configuration OPVs.

Pressure-induced structural phase transition in transition metal carbides TMC (TM = Ru, Rh, Pd, Os, Ir, Pt): a DFT study

NASA Astrophysics Data System (ADS)

Manikandan, M.; Rajeswarapalanichamy, R.; Iyakutti, K.

2018-03-01

First-principles calculations based on density functional theory was performed to analyse the structural stability of transition metal carbides TMC (TM = Ru, Rh, Pd, Os, Ir, Pt). It is observed that zinc-blende phase is the most stable one for these carbides. Pressure-induced structural phase transition from zinc blende to NiAs phase is predicted at the pressures of 248.5 GPa, 127 GPa and 142 GPa for OsC, IrC and PtC, respectively. The electronic structure reveals that RuC exhibits a semiconducting behaviour with an energy gap of 0.7056 eV. The high bulk modulus values of these carbides indicate that these metal carbides are super hard materials. The high B/G value predicts that the carbides are ductile in their most stable phase.

Drain Current Modulation of a Single Drain MOSFET by Lorentz Force for Magnetic Sensing Application.

PubMed

Chatterjee, Prasenjit; Chow, Hwang-Cherng; Feng, Wu-Shiung

2016-08-30

This paper reports a detailed analysis of the drain current modulation of a single-drain normal-gate n channel metal-oxide semiconductor field effect transistor (n-MOSFET) under an on-chip magnetic field. A single-drain n-MOSFET has been fabricated and placed in the center of a square-shaped metal loop which generates the on-chip magnetic field. The proposed device designed is much smaller in size with respect to the metal loop, which ensures that the generated magnetic field is approximately uniform. The change of drain current and change of bulk current per micron device width has been measured. The result shows that the difference drain current is about 145 µA for the maximum applied magnetic field. Such changes occur from the applied Lorentz force to push out the carriers from the channel. Based on the drain current difference, the change in effective mobility has been detected up to 4.227%. Furthermore, a detailed investigation reveals that the device behavior is quite different in subthreshold and saturation region. A change of 50.24 µA bulk current has also been measured. Finally, the device has been verified for use as a magnetic sensor with sensitivity 4.084% (29.6 T(-1)), which is very effective as compared to other previously reported works for a single device.

Non-destructive identification of unknown minor phases in polycrystalline bulk alloys using three-dimensional X-ray diffraction

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

Yang, Yiming, E-mail: yangyiming1988@outlook.com

Minor phases make considerable contributions to the mechanical and physical properties of metals and alloys. Unfortunately, it is difficult to identify unknown minor phases in a bulk polycrystalline material using conventional metallographic methods. Here, a non-destructive method based on three-dimensional X-ray diffraction (3DXRD) is developed to solve this problem. Simulation results demonstrate that this method is simultaneously able to identify minor phase grains and reveal their positions, orientations and sizes within bulk alloys. According to systematic simulations, the 3DXRD method is practicable for an extensive sample set, including polycrystalline alloys with hexagonal, orthorhombic and cubic minor phases. Experiments were alsomore » conducted to confirm the simulation results. The results for a bulk sample of aluminum alloy AA6061 show that the crystal grains of an unexpected γ-Fe (austenite) phase can be identified, three-dimensionally and nondestructively. Therefore, we conclude that the 3DXRD method is a powerful tool for the identification of unknown minor phases in bulk alloys belonging to a variety of crystal systems. This method also has the potential to be used for in situ observations of the effects of minor phases on the crystallographic behaviors of alloys. - Highlights: •A method based on 3DXRD is developed for identification of unknown minor phase. •Grain position, orientation and size, is simultaneously acquired. •A systematic simulation demonstrated the applicability of the proposed method. •Experimental results on a AA6061 sample confirmed the practicability of the method.« less

Laser-induced damage thresholds of bulk and coating optical materials at 1030  nm, 500  fs.

PubMed

Gallais, Laurent; Commandré, Mireille

2014-02-01

We report on extensive femtosecond laser damage threshold measurements of optical materials in both bulk and thin-film form. This study, which is based on published and new data, involved simple oxide and fluoride films, composite films made from a mixture of two dielectric materials, metallic films, and the surfaces of various bulk materials: oxides, fluorides, semiconductors, and ionic crystals. The samples were tested in comparable conditions at 1030 nm, 375 to 600 fs, under single-pulse irradiation. A large number of different samples prepared by different deposition techniques have been tested, involving classical materials used in the fabrication of optical thin film components (Ag, AlF3, Al2O3, HfO2, MgF2, Nb2O5, Pt, Sc2O3, SiO2, Ta2O5, Y2O3, and ZrO2) and their combination with codeposition processes. Their behaviors are compared with the surfaces of bulk materials (Al2O3, BaF2, CaF2, Ge, KBr, LiF, MgF2, NaCl, Quartz, Si, ZnS, ZnSe, and different silica glasses). Tabulated values of results are presented and discussed.

Polynuclear Speciation of Trivalent Cations near the Surface of an Electrolyte Solution

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

Bera, Mrinal K.; Antonio, Mark R.

Despite long-standing efforts, there is no agreed upon structural model for electrolyte solutions at air-liquid interfaces. We report the simultaneous detection of the near-surface and bulk coordination environments of a trivalent metal cation (europium) in an aqueous solution by use of X-ray absorption spectroscopy. Within the first few nanometers of the liquid surface, the cations exhibit oxygen coordination typical of inner-sphere hydration of an aquated Eu3+ cation. Beyond that, outer-sphere ion-ion correlations are observed that are otherwise not present in the bulk electrolyte. The combination of near-surface and bulk sensitivities to probe metal ion speciation in electrolyte solutions is achievedmore » by detecting electron-yield and X-ray fluorescence signals from an inverted pendant drop. The results provide new knowledge about the near-surface chemistry of aqueous solutions of relevance to aerosols and ion transport processes in chemical separations and biological systems.« less

Bulk soil and rhizosphere bacterial community PCR-DGGE profiles and beta-galactosidase activity as indicators of biological quality in soils contaminated by heavy metals and cultivated with Silene vulgaris (Moench) Garcke.

PubMed

Martínez-Iñigo, M J; Pérez-Sanz, A; Ortiz, I; Alonso, J; Alarcón, R; García, P; Lobo, M C

2009-06-01

The biological quality of two heavy metal contaminated soils (soil C: Typic Calcixerept, pH 8.3 and soil H: Typic Haploxeraf, pH 7.3) was investigated after growing the metal-tolerant plant Silene vulgaris (Moench) Garcke for two vegetative periods. The activity of the enzyme beta-galactosidase, which is sensitive to the presence of contaminants in soil, and the polymerase chain reaction-denaturing gradient gel electrophoresis (PCR-DGGE) profiles of 16S rRNA gene fragments of culturable bacteria from bulk soil and rhizosphere were determined. The microbial enzymatic activity was higher in planted soils than in bare soils at the contamination level of 600 mg of total heavy metals kg(-1) soil. After growing S. vulgaris, beta-galactosidase activity was almost recovered in the calcareous soil. In this soil new bands appeared in the PCR-DGGE profiles of the rhizosphere bacterial community as a response to the exposure to heavy metals.

Local structure in solid solutions of stabilised zirconia with actinide dioxides (UO{sub 2}, NpO{sub 2})

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

Walter, Marcus, E-mail: marcus.walter@vkta.d; Somers, Joseph; Bouexiere, Daniel

2011-04-15

The local structure of (Zr,Lu,U)O{sub 2-x} and (Zr,Y,Np)O{sub 2-x} solid solutions has been investigated by extended X-ray absorption fine structure (EXAFS). Samples were prepared by mixing reactive (Zr,Lu)O{sub 2-x} and (Zr,Y)O{sub 2-x} precursor materials with the actinide oxide powders, respectively. Sintering at 1600 {sup o}C in Ar/H{sub 2} yields a fluorite structure with U(IV) and Np(IV). As typical for stabilised zirconia the metal-oxygen and metal-metal distances are characteristic for the different metal ions. The bond lengths increase with actinide concentration, whereas highest adaptation to the bulk stabilised zirconia structure was observed for U---O and Np---O bonds. The Zr---O bond showsmore » only a slight increase from 2.14 A at 6 mol% actinide to 2.18 A at infinite dilution in UO{sub 2} and NpO{sub 2}. The short interatomic distance between Zr and the surrounding oxygen and metal atoms indicate a low relaxation of Zr with respect to the bulk structure, i.e. a strong Pauling behaviour. -- Graphical abstract: Metal-oxygen bond distances in (Zr,Lu,U)O{sub 2-x} solid solutions with different oxygen vacancy concentrations (Lu/Zr=1 and Lu/Zr=0.5). Display Omitted Research Highlights: {yields} EXAFS indicates high U and Np adaption to the bulk structure of stabilised zirconia. {yields} Zr---O bond length is 2.18 A at infinite Zr dilution in UO{sub 2} and NpO{sub 2}. {yields} Low relaxation (strong Pauling behaviour) of Zr explains its low solubility in UO{sub 2}.« less

Processing and characterization of Zr-based metallic glass by laser direct deposition

NASA Astrophysics Data System (ADS)

Bae, Heehun

Bulk Metallic Glass has become famous for its exceptional mechanical and corrosion properties. Especially, Zirconium has been the prominent constituent in Bulk Metallic Glass due to its superior glass forming ability, the ability to form amorphous phase with low cooling rate, thereby giving advantages in structural applications. In this study, Zirconium powder was alloyed with Aluminum, Nickel and Copper powder at an atomic ratio of 65:10:10:15, respectively. Using the ball milling process to mix the powders, Zr65Al10Ni 10Cu15 amorphous structure was manufactured by laser direct deposition. Laser power and laser scanning speed were optimized to increase the fraction of amorphous phase. X-ray Diffraction confirmed the existence of both amorphous and crystalline phase by having a wide halo peak and sharp intense peak in the spectrum. Differential Scanning Calorimetry proved the presence of amorphous phase and glass transition was observed to be around 655 K. Scanning electron microscopy showed the microstructure of the deposited sample to have repetitive amorphous and crystalline phase as XRD examined. Crystalline phase resulted from the laser reheating and remelting process due to subsequent laser scan. Laser direct deposited amorphous/crystalline composite showed Vickers Hardness of 670 Hv and exhibited improved corrosion resistance in comparison to fully-crystallized sample. The compression test showed that, due to the existence of crystalline phase, fracture strain of Zr65Al10Ni10Cu 15 amorphous composites was enhanced from less than 2% to as high as 5.7%, compared with fully amorphous metallic glass.

Metal Catalyzed Fusion: Nuclear Active Environment vs. Process

NASA Astrophysics Data System (ADS)

Chubb, Talbot

2009-03-01

To achieve radiationless dd fusion and/or other LENR reactions via chemistry: some focus on environment of interior or altered near-surface volume of bulk metal; some on environment inside metal nanocrystals or on their surface; some on the interface between nanometal crystals and ionic crystals; some on a momentum shock-stimulation reaction process. Experiment says there is also a spontaneous reaction process.

Functionally Graded Multifunctional Hybrid Composites for Extreme Environments

DTIC Science & Technology

2010-02-01

Develop multifunctional FGHC with multiple layers: a ceramic thermal barrier layer, a graded ceramic /metal composite (GCMeC) layer and a high...AFOSR-MURI Functionally Graded Hybrid Composites Actively Cooled PMC White (UIUC) FGHC Fabrication Team Graded Ceramic Metal Composites (GCMeC...Composites Fabrication and Characterization of Bulk Ceramic MAX Phase and MAX–Metal Composites AFOSR-MURI Functionally Graded Hybrid Composites Mn

X-ray-diffraction study of californium metal to 16 GPa

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

Peterson, J.R.; Benedict, U.; Dufour, C.

1983-01-01

The first series of measurements to determine the structural behavior of californium (Cf) metal under pressure has been carried out. The initial dhcp structure transformed sluggishly with increasing pressure to a fcc structure. A bulk modulus of 50(5) GPa was derived for dhcp Cf metal from the relative volume (V/V/sub 0/) data to 10 GPa.

Ignition and Combustion Characteristics of Pure Bulk Metals: Normal-Gravity Test Results

NASA Technical Reports Server (NTRS)

Abbud-Madrid, A.; Fiechtner, G. J.; Branch, M. C.; Daily, J. W.

1994-01-01

An experimental apparatus has been designed for the study of bulk metal ignition under elevated, normal and reduced gravity environments. The present work describes the technical characteristics of the system, the analytical techniques employed, the results obtained from the ignition of a variety of metals subjected to normal gravity conditions and the first results obtained from experiments under elevated gravity. A 1000 W xenon short-arc lamp is used to irradiate the top surface of a cylindrical metal specimen 4 mm in diameter and 4 mm high in a quiescent pure-oxygen environment at 0.1 MPa. Iron, titanium, zirconium, magnesium, zinc, tin, and copper specimens are investigated. All these metals exhibit ignition and combustion behavior varying in strength and speed. Values of ignition temperatures below, above or in the range of the metal melting point are obtained from the temperature records. The emission spectra from the magnesium-oxygen gas-phase reaction reveals the dynamic evolution of the ignition event. Scanning electron microscope and x-ray spectroscopic analysis provide the sequence of oxide formation on the burning of copper samples. Preliminary results on the effect of higher-than-normal gravity levels on the ignition of titanium specimens is presented.

Converting topological insulators into topological metals within the tetradymite family

NASA Astrophysics Data System (ADS)

Chen, K.-W.; Aryal, N.; Dai, J.; Graf, D.; Zhang, S.; Das, S.; Le Fèvre, P.; Bertran, F.; Yukawa, R.; Horiba, K.; Kumigashira, H.; Frantzeskakis, E.; Fortuna, F.; Balicas, L.; Santander-Syro, A. F.; Manousakis, E.; Baumbach, R. E.

2018-04-01

We report the electronic band structures and concomitant Fermi surfaces for a family of exfoliable tetradymite compounds with the formula T2C h2P n , obtained as a modification to the well-known topological insulator binaries Bi2(Se,Te ) 3 by replacing one chalcogen (C h ) with a pnictogen (P n ) and Bi with the tetravalent transition metals T = Ti, Zr, or Hf. This imbalances the electron count and results in layered metals characterized by relatively high carrier mobilities and bulk two-dimensional Fermi surfaces whose topography is well-described by first-principles calculations. Intriguingly, slab electronic structure calculations predict Dirac-like surface states. In contrast to Bi2Se3 , where the surface Dirac bands are at the Γ point, for (Zr,Hf ) 2Te2 (P,As) there are Dirac cones of strong topological character around both the Γ ¯ and M ¯ points, which are above and below the Fermi energy, respectively. For Ti2Te2P , the surface state is predicted to exist only around the M ¯ point. In agreement with these predictions, the surface states that are located below the Fermi energy are observed by angle-resolved photoemission spectroscopy measurements, revealing that they coexist with the bulk metallic state. Thus this family of materials provides a foundation upon which to develop novel phenomena that exploit both the bulk and surface states (e.g., topological superconductivity).

Preparation of porous lead from shape-controlled PbO bulk by in situ electrochemical reduction in ChCl-EG deep eutectic solvent

NASA Astrophysics Data System (ADS)

Ru, Juanjian; Hua, Yixin; Xu, Cunying; Li, Jian; Li, Yan; Wang, Ding; Zhou, Zhongren; Gong, Kai

2015-12-01

Porous lead with different shapes was firstly prepared from controlled geometries of solid PbO bulk by in situ electrochemical reduction in choline chloride-ethylene glycol deep eutectic solvents at cell voltage 2.5 V and 353 K. The electrochemical behavior of PbO powders on cavity microelectrode was investigated by cyclic voltammetry. It is indicated that solid PbO can be directly reduced to metal in the solvent and a nucleation loop is apparent. Constant voltage electrolysis demonstrates that PbO pellet can be completely converted to metal for 13 h, and the current efficiency and specific energy consumption are about 87.79% and 736.82 kWh t-1, respectively. With the electro-deoxidation progress on the pellet surface, the reduction rate reaches the fastest and decreases along the distance from surface to inner center. The morphologies of metallic products are porous and mainly consisted of uniform particles which connect with each other by finer strip-shaped grains to remain the geometry and macro size constant perfectly. In addition, an empirical model of the electro-deoxidation process from spherical PbO bulk to porous lead is also proposed. These findings provide a novel and simple route for the preparation of porous metals from oxide precursors in deep eutectic solvents at room temperature.

Tensile deformation mechanisms of an in-situ Ti-based metallic glass matrix composite at cryogenic temperature

DOE PAGES

Bai, J.; Li, J. S.; Qiao, J. W.; ...

2016-08-31

Remarkable tensile ductility was first obtained in an in-situ Ti-based bulk metallic glass (BMG) composite at cryogenic temperature (77 K). The novel cryogenic tensile plasticity is related to the effective accommodation of ductile body-centered cubic dendrites at 77 K, characteristic of the prevailing slip bands and dislocations, as well as lattice disorder, which can effectively hinder the propagation of critical shear bands. The greatly increased yield strength of dendrites contributes to the high yield strength of composite at 77 K. A trend of stronger softening is observed at low temperature, and a criterion is proposed to understand the softening behavior.more » In conclusion, the current research could also provide a guidance to the promising cryogenic application of these new advanced BMG composites.« less

Experimental input for the design of metallic glass/crystalline composites

NASA Astrophysics Data System (ADS)

Hutchinson, Nicholas Willis

Bulk metallic glasses often exhibit exceptional strength and large elastic strains, but the structural applications of bulk metallic glasses are limited by their extremely low tensile ductility. Below the glass transition temperature of the alloy, plastic deformation occurs primarily in narrow shear bands, which propagate unimpeded through the monolithic glass structure, resulting in catastrophic failure under tensile loading. A number of studies have added crystalline reinforcements to the glassy matrix in an effort to block shear band propagation and increase ductility. The reinforcements in these bulk metallic glass matrix composites (BMGMC's) can be added as ex situ particles or fibers infiltrated by the glass-forming liquid [1], or can be formed in situ, either via devitrification of the glass during post-processing [2] or as a second phase that precipitates from the melt during solidification [3]. The size, distribution, and mechanical properties of the reinforcement phase have significant impact on the ductility of the composite. However, surprisingly little quantitative microstructural information is available for BMGMC's, particularly those formed by precipitation from the melt. In this work, we examine two in situ BMGMC's in which a ductile crystalline phase precipitates during solidification of the melt, resulting in a complex dendritic structure embedded in a continuous glass matrix. A 3D serial sectioning process was used to image the microstructure at regular intervals by removing slices of material using a dual beam focused ion-scanning electron microscope (FIB). Due to the complex nature of the microstructure, measurements of key features were conducted using a 3D measurement method that was developed for this purpose. Experiments were also conducted to provide experimental input for the development and tuning of finite element models. Changes in the elastic modulus of the composite were evaluated over a range of stresses that encompassed the yield point of the composite. An interesting increase in the modulus was observed prior to yielding. The work is concluded with a study of the accumulation of strain within the composite microstructure during tensile loading. The strain was determined and evaluated by a digital image correlation method. [1] R. B. Dandliker, R. D. Conner, and W. L. Johnson, "Melt infiltration casting of bulk metallic-glass matrix composites," J. Mater. Res., vol. 13, no. 10, pp. 2896--2901, 1998. [2] J. Eckert, J. Das, S. Pauly, and C. Duhamel, "Mechanical Properties of Bulk Metallic Glasses and Composites," J. Mater. Res., vol. 22, no. 2, pp. 285--301, 2007. [3] D. C. Hofmann, J.-Y. Suh, A. Wiest, G. Duan, M.-L. Lind, M. D. Demetriou, and W. L. Johnson, "Designing metallic glass matrix composites with high toughness and tensile ductility.," Nature, vol. 451, no. 7182, pp. 1085--9, Feb. 2008.

Effect of fluxing treatment on the properties of Fe66Co15Mo1P7.5C5.5B2Si3 bulk metallic glass by water quenching

NASA Astrophysics Data System (ADS)

Li, Jin-Feng; Wang, Xin; Liu, Xue; Zhao, Shao-Fan; Yao, Ke-Fu

2018-01-01

The effect of fluxing treatment on the properties of Fe66Co15Mo1P7.5C5.5B2Si3bulk amorphous alloy (BAA) has been investigated. Prepared by a combination method of flux treatment and water quenching, the Fe66Co15Mo1P7.5C5.5B2Si3 BAA exhibits better glass-forming ability, thermal stability, soft magnetic properties and ductility than those of the one prepared by direct water quenching. This indicates that fluxing treatment can play a potential role in improving the properties of Fe-based BAA due to the effective elimination of the impurities within the alloy.

High-pressure synthesis and characterization of incompressible titanium pernitride

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

Bhadram, Venkata S.; Kim, Duck Young; Strobel, Timothy A.

A new transition-metal pernitride, TiN 2, was uncovered from the chemical reaction of TiN with N 2 at 73GPa in a laser-heated diamond anvil cell (DAC). The crystal structure of this compound exhibits tetragonal I 4/ mcm symmetry and consists of single-bonded nitrogen dimers (N–N dumbbells) embedded in the metal lattice as shown by our ab initio calculations and verified by in situ synchrotron x-ray diffraction measurements. The pressure-volume equation of state determined from the experimental data reveals that TiN 2 is incompressible with bulk modulus in the range of 360-385 GPa which is close to that of cubic boronmore » nitride (382 GPa). Here, the origin of high bulk modulus of TiN 2 (which is metallic) is rooted in the nearly filled anti-bonding states of the pernitride units. TiN 2 is fully recoverable to ambient conditions and represents the lowest-density transition metal pernitride synthesized to date.« less

High-pressure synthesis and characterization of incompressible titanium pernitride

DOE PAGES

Bhadram, Venkata S.; Kim, Duck Young; Strobel, Timothy A.

2016-03-07

A new transition-metal pernitride, TiN 2, was uncovered from the chemical reaction of TiN with N 2 at 73GPa in a laser-heated diamond anvil cell (DAC). The crystal structure of this compound exhibits tetragonal I 4/ mcm symmetry and consists of single-bonded nitrogen dimers (N–N dumbbells) embedded in the metal lattice as shown by our ab initio calculations and verified by in situ synchrotron x-ray diffraction measurements. The pressure-volume equation of state determined from the experimental data reveals that TiN 2 is incompressible with bulk modulus in the range of 360-385 GPa which is close to that of cubic boronmore » nitride (382 GPa). Here, the origin of high bulk modulus of TiN 2 (which is metallic) is rooted in the nearly filled anti-bonding states of the pernitride units. TiN 2 is fully recoverable to ambient conditions and represents the lowest-density transition metal pernitride synthesized to date.« less

Effectiveness of Devices to Monitor Biofouling and Metals Deposition on Plumbing Materials Exposed to a Full-Scale Drinking Water Distribution System

PubMed Central

Garbin, Scott; Wylie, Jason; Krishna, K. C. Bal

2017-01-01

A Modified Robbins Device (MRD) was installed in a full-scale water distribution system to investigate biofouling and metal depositions on concrete, high-density polyethylene (HDPE) and stainless steel surfaces. Bulk water monitoring and a KIWA monitor (with glass media) were used to offline monitor biofilm development on pipe wall surfaces. Results indicated that adenosine triphosphate (ATP) and metal concentrations on coupons increased with time. However, bacterial diversities decreased. There was a positive correlation between increase of ATP and metal deposition on pipe surfaces of stainless steel and HDPE and no correlation was observed on concrete and glass surfaces. The shared bacterial diversity between bulk water and MRD was less than 20% and the diversity shared between the MRD and KIWA monitor was only 10%. The bacterial diversity on biofilm of plumbing material of MRD however, did not show a significant difference suggesting a lack of influence from plumbing material during early stage of biofilm development. PMID:28060947

Sub-second thermoplastic forming of bulk metallic glasses by ultrasonic beating

PubMed Central

Ma, Jiang; Liang, Xiong; Wu, Xiaoyu; Liu, Zhiyuan; Gong, Feng

2015-01-01

The work proposed a novel thermoplastic forming approach–the ultrasonic beating forming (UBF) method for bulk metallic glasses (BMGs) in present work. The rapid forming approach can finish the thermoplastic forming of BMGs in less than one second, avoiding the time-dependent crystallization and oxidation to the most extent. Besides, the UBF is also proved to be competent in the fabrication of structures with the length scale ranging from macro scale to nano scale. Our results propose a novel route for the thermoplastic forming of BMGs and have promising applications in the rapid fabrication of macro to nano scale products and devices. PMID:26644149

Poisson's Ratio and the Densification of Glass under High Pressure

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

Rouxel, T.; Ji, H.; Hammouda, T.

2008-06-06

Because of a relatively low atomic packing density, (C{sub g}) glasses experience significant densification under high hydrostatic pressure. Poisson's ratio ({nu}) is correlated to C{sub g} and typically varies from 0.15 for glasses with low C{sub g} such as amorphous silica to 0.38 for close-packed atomic networks such as in bulk metallic glasses. Pressure experiments were conducted up to 25 GPa at 293 K on silica, soda-lime-silica, chalcogenide, and bulk metallic glasses. We show from these high-pressure data that there is a direct correlation between {nu} and the maximum post-decompression density change.

Phonon dispersion relation of Mg-Cu-Gd bulk metallic glasses

NASA Astrophysics Data System (ADS)

Suthar, P. H.

2016-05-01

Collective dynamics and elastic constants of bulk metallic glasses Mg65Cu25Gd10 and Mg60Cu25Gd15 are computed using the Hubbard -Beeby approach and our well recognized model potential. The important ingredients in the present study are the pair potential and local field correction functions (LFCF). The local field correction functions due to Hartree (H), Farid et al (F) and Sarkar Sen et al (S) are employed to investigation the influence of the screening effects on the longitudinal and traversed of phonon modes of glassy system. The results for the elastic constants are found to be in good agreement with experimental data.

Solid state recycling of aluminium alloys via a porthole die hot extrusion process: Scaling up to production

NASA Astrophysics Data System (ADS)

Paraskevas, Dimos; Kellens, Karel; Deng, Yelin; Dewulf, Wim; Kampen, Carlos; Duflou, Joost R.

2017-10-01

Whereas industrial symbiosis has led to increased energy and resource efficiency in process industries, this concept has not yet been applied in discrete product manufacturing. Metal scrap is first conventionally recycled, for which substantial energy and resource efficiency losses have been reported. Recent research has however proven the feasibility of `meltless' recycling of light metal scrap, yielding a first glimpse of potential industrial symbiosis. Various solid state recycling techniques (such as recycling via hot extrusion or Spark Plasma Sintering) have been proposed for scrap consolidation directly into bulk products or semis by physical disruption and dispersion of the oxide surface film by imposing significant plastic and shear strain. Solid State Recycling (SSR) methods can omit substantial material losses as they bypass the metallurgical recycling step. In this context the case of direct production of bulk aluminium profiles via hot extrusion at industrial scale is demonstrated within this paper. The extrusion tests were performed directly into the production line, highlighting the scaling up potentials and the industrial relevance of this research. A significant amount of machining chips were collected, chemically cleaned and cold compacted into chip based billets with ˜80% relative density. Afterwards the scrap consolidation was achieved by imposing significant plastic and shear deformation into the material during hot extrusion through a modified 2-porthole extrusion die-set. The production process sequence along with microstructural investigations and mechanical properties comparison of the cast based profile used as reference versus the chip based profile are presented.

Ohmic model for electrodeposition of metallic ions

NASA Astrophysics Data System (ADS)

Gliozzi, A. S.; Alexe-Ionescu, A. L.; Barbero, G.

2015-10-01

An ohmic model to describe the electrodeposition of metallic ions on the electrodes is proposed. We assume that the ionic distribution is homogeneous across the electrolytic cell, and that the ionic current is due to the bulk electric field. The nucleation in the electrodeposition is supposed to be well described by a kinetic equation at the electrode, taking into account the neutralization of metallic ions on the electrodes. Two cases are considered. In the first case the characteristic time describing the neutralization of the ions is supposed to be negligible with respect to the flight time of the ions across the cell. In this framework the bulk electric field coincides with the external electric field, and our analysis gives analytical formulae for the surface density of deposited ions and for the electric current in the external circuit. The case where the two characteristic times are comparable, and the effective electric field in the bulk depends on the surface deposition, is considered too. In this case the ordinary differential equations describing the ionic distribution and the adsorption phenomenon have to be solved numerically. The agreement between the presented model and the experimental results published by several groups is reasonably good.

A dewetting route to grow heterostructured nanoparticles based on thin film heterojunctions.

PubMed

Li, Junjie; Yin, Deqiang; Li, Qiang; Chen, Chunlin; Huang, Sumei; Wang, Zhongchang

2015-12-21

Heterostructured nanoparticles have received considerable attention for their various applications due to their unique and tunable functionalities with respect to their individual bulk constituents. However, the current wet chemical synthesis of multicomponent heterostructured nanoparticles is rather complicated. Here, we report a simple and quick method to fabricate Co-Au dumbbell arrays by dewetting Co/Au heterojunctions on a Si substrate and demonstrate that the Co-Au dumbbells vary in size from 2 to 28 nm. We further show by chemical mapping that Co bells are covered by a pseudomorphic Au wetting layer of ∼4 Å, preventing the bells from oxidation. By controlling the thickness of metal heterojunctions and the annealing time, the morphology of the Co-Au nanoparticle is found to be transformed from the dumbbell to the core shell. This facile route is demonstrated to be useful for fabricating other metal-metal and metal-oxide heterostructures and hence holds technological promise for functional applications.

A top-down approach for fabricating three-dimensional closed hollow nanostructures with permeable thin metal walls.

PubMed

Barrios, Carlos Angulo; Canalejas-Tejero, Víctor

2017-01-01

We report on a top-down method for the controlled fabrication of three-dimensional (3D), closed, thin-shelled, hollow nanostructures (nanocages) on planar supports. The presented approach is based on conventional microelectronic fabrication processes and exploits the permeability of thin metal films to hollow-out polymer-filled metal nanocages through an oxygen-plasma process. The technique is used for fabricating arrays of cylindrical nanocages made of thin Al shells on silicon substrates. This hollow metal configuration features optical resonance as revealed by spectral reflectance measurements and numerical simulations. The fabricated nanocages were demonstrated as a refractometric sensor with a measured bulk sensitivity of 327 nm/refractive index unit (RIU). The pattern design flexibility and controllability offered by top-down nanofabrication techniques opens the door to the possibility of massive integration of these hollow 3D nano-objects on a chip for applications such as nanocontainers, nanoreactors, nanofluidics, nano-biosensors and photonic devices.

The friction and wear of metals and binary alloys in contact with an abrasive grit of single-crystal silicon carbide

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1979-01-01

Sliding friction experiments were conducted with various metals and iron-base binary alloys (alloying elements Ti, Cr, Mn, Ni, Rh and W) in contact with single crystal silicon carbide riders. Results indicate that the friction force in the plowing of metal and the groove height (corresponding to the wear volume of the groove) decrease linearly as the shear strength of the bulk metal increases. The coefficient of friction and groove height generally decrease, and the contact pressure increases with an increase in solute content of binary alloys. There appears to be very good correlation of the solute to iron atomic ratio with the decreasing rate of change of coefficient of friction, the decreasing rate of change of groove height and the increasing rate of change of contact pressure with increasing solute content. These rates of change increase as the solute to iron atomic radius ratio increases or decreases from unity.

In-Plane Multimagnetron Approach

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

Johnson, Grant E.; Laskin, Julia

2017-04-01

Nanoparticles (NPs) and sub-nanometer clusters containing controlled amounts of different atoms are of interest for a variety of potential applications including catalysis,1, 2 optics,3, 4 magnetics,5-7 sensors,8, 9 and biotheraputics.10, 11 Alloy NPs may possess enhanced physical and chemical properties compared to single metal species due to the additional interplay between their different elemental components. By reducing the quantity of expensive precious metals in alloy NPs by substituting cheaper base metals, it may also be possible to achieve equivalent or even superior performance to pure noble metal NPs for applications such as heterogeneous catalysis at substantially reduced material costs.12 Inmore » addition, alloying of elements that are immiscible in bulk form is possible in NPs because the enthalpy of mixing decreases and becomes negative at small particle sizes.13, 14 As a result, a substantially broader array of alloy species may be generated in the form of NPs and sub-nanometer clusters.« less

Adsorption of acid-extractable organics from oil sands process-affected water onto biomass-based biochar: Metal content matters.

PubMed

Bhuiyan, Tazul I; Tak, Jin K; Sessarego, Sebastian; Harfield, Don; Hill, Josephine M

2017-02-01

The impact of biochar properties on acid-extractable organics (AEO) adsorption from oil sands process-affected water (OSPW) was studied. Biochar from wheat straw with the highest ash content (14%) had the highest adsorption capacity (0.59 mg/g) followed by biochar from pulp mill sludge, switchgrass, mountain pine, hemp shives, and aspen wood. The adsorption capacity had no obvious trend with surface area, total pore volume, bulk polarity and aromaticity. The large impact of metal content was consistent with the carboxylates (i.e., naphthenate species) in the OSPW binding to the metals (mainly Al and Fe) on the carbon substrate. Although the capacity of biochar is still approximately two orders of magnitude lower than that of a commercial activated carbon, confirming the property (i.e., metal content) that most influenced AEO adsorption, may allow biochar to become competitive with activated carbon after normalizing for cost, especially if this cost includes environmental impacts. Copyright © 2016 Elsevier Ltd. All rights reserved.

Fabrication and Characterization of Thin Film Ion Implanted Composite Materials for Integrated Nonlinear Optical Devices

NASA Technical Reports Server (NTRS)

Sarkisov, S.; Curley, M.; Williams, E. K.; Wilkosz, A.; Ila, D.; Poker, D. B.; Hensley, D. K.; Smith, C.; Banks, C.; Penn, B.;

From MEMRISTOR to MEMImpedance device

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

Wakrim, T.; Univ. Grenoble Alpes, G2Elab, F-38000 Grenoble; Vallée, C., E-mail: christophe.vallee@cea.fr

2016-02-01

The behavior of the capacitance switching of HfO{sub 2} Resistive non-volatile Memories is investigated in view of realizing a MEMImpedance (MEM-Z) device. In such a Metal Insulator Metal structure, the impedance value can be tuned by the adjustment of both resistance and capacitance values. We observe a strong variation of capacitance from positive to negative values in a single layer Metal Insulator Metal device made of HfO{sub 2} deposited by Atomic Layer Deposition, but unfortunately no memory effect is observed. However, in the case of a two layer structure, a device has been obtained with a memory effect where bothmore » resistance and capacitance values can be tuned simultaneously, with a variation of capacitance down to negative values to get an inductive behavior. Negative capacitance values are observed for voltage values near SET voltage. A schematic model based on shaped oxygen vacancy density is proposed to account for this capacitance variation. The oxygen vacancies can be either isolated or connected in the bulk of the oxide.« less

Impacts of Long-Range Transport of Metals from East Asia in Bulk Aerosols Collected at the Okinawa Archipelago, Japan

NASA Astrophysics Data System (ADS)

A, Sotaro; S, Yuka; I, Moriaki; N, Fumiya; H, Daishi; A, Takemitsu; T, Akira

2010-05-01

Economy of East Asia has been growing rapidly, and atmospheric aerosols discharged from this region have been transported to Japan. Okinawa island is situated approximately 1500 km south of Tokyo, Japan, 2000 km southeast of Beijing, China, and 1000 km of south Korea. Its location in Asian is well suited for studying long-range transport of air pollutants in East Asia because maritime air mass prevails during summer, while continental air mass dominates during fall, winter, and spring. The maritime air mass data can be seen as background and can be compared with continental air mass which has been affected by anthropogenic activities. Therefore, Okinawa region is suitable area for studying impacts of air pollutants from East Asia. We simultaneously collected bulk aerosol samples by using the same type of high volume air samplers at Cape Hedo Atmospheric Aerosol Monitoring Station (CHAAMS, Okinawa island), Kume island (ca. 160 km south-west of CHAAMS), and Minami-Daitou island (ca. 320 km south-east of CHAAMS). We determined the concentrations of acid-digested metals using atomic absorption spectrometer and inductively-coupled plasma mass spectrometry (ICP-MS). We report and discuss spatial and temporal distribution of metals in the bulk atmospheric aerosols collected at CHAAMS, Kume island and Minami-Daitou island during June, 2008 to June 2009. We also determined 'background' concentration of metals in Okinawa archipelago. We then compare each chemical component among CHAAMS, Kume island and Minami-Daitou island to elucidate the influence of the transport processes and distances from Asian continent on metal concentrations.

Immunological Responses to Total Hip Arthroplasty.

PubMed

Man, Kenny; Jiang, Lin-Hua; Foster, Richard; Yang, Xuebin B

2017-08-01

The use of total hip arthroplasties (THA) has been continuously rising to meet the demands of the increasingly ageing population. To date, this procedure has been highly successful in relieving pain and restoring the functionality of patients' joints, and has significantly improved their quality of life. However, these implants are expected to eventually fail after 15-25 years in situ due to slow progressive inflammatory responses at the bone-implant interface. Such inflammatory responses are primarily mediated by immune cells such as macrophages, triggered by implant wear particles. As a result, aseptic loosening is the main cause for revision surgery over the mid and long-term and is responsible for more than 70% of hip revisions. In some patients with a metal-on-metal (MoM) implant, metallic implant wear particles can give rise to metal sensitivity. Therefore, engineering biomaterials, which are immunologically inert or support the healing process, require an in-depth understanding of the host inflammatory and wound-healing response to implanted materials. This review discusses the immunological response initiated by biomaterials extensively used in THA, ultra-high-molecular-weight polyethylene (UHMWPE), cobalt chromium (CoCr), and alumina ceramics. The biological responses of these biomaterials in bulk and particulate forms are also discussed. In conclusion, the immunological responses to bulk and particulate biomaterials vary greatly depending on the implant material types, the size of particulate and its volume, and where the response to bulk forms of differing biomaterials are relatively acute and similar, while wear particles can initiate a variety of responses such as osteolysis, metal sensitivity, and so on.

Ferromagnetism and semiconducting of boron nanowires

PubMed Central

2012-01-01

More recently, motivated by extensively technical applications of carbon nanostructures, there is a growing interest in exploring novel non-carbon nanostructures. As the nearest neighbor of carbon in the periodic table, boron has exceptional properties of low volatility and high melting point and is stronger than steel, harder than corundum, and lighter than aluminum. Boron nanostructures thus are expected to have broad applications in various circumstances. In this contribution, we have performed a systematical study of the stability and electronic and magnetic properties of boron nanowires using the spin-polarized density functional calculations. Our calculations have revealed that there are six stable configurations of boron nanowires obtained by growing along different base vectors from the unit cell of the bulk α-rhombohedral boron (α-B) and β-rhombohedral boron (β-B). Well known, the boron bulk is usually metallic without magnetism. However, theoretical results about the magnetic and electronic properties showed that, whether for the α-B-based or the β-B-based nanowires, their magnetism is dependent on the growing direction. When the boron nanowires grow along the base vector [001], they exhibit ferromagnetism and have the magnetic moments of 1.98 and 2.62 μB, respectively, for the α-c [001] and β-c [001] directions. Electronically, when the boron nanowire grows along the α-c [001] direction, it shows semiconducting and has the direct bandgap of 0.19 eV. These results showed that boron nanowires possess the unique direction dependence of the magnetic and semiconducting behaviors, which are distinctly different from that of the bulk boron. Therefore, these theoretical findings would bring boron nanowires to have many promising applications that are novel for the boron bulk. PMID:23244063

Phase transition transistors based on strongly-correlated materials

NASA Astrophysics Data System (ADS)

Nakano, Masaki

2013-03-01

The field-effect transistor (FET) provides electrical switching functions through linear control of the number of charges at a channel surface by external voltage. Controlling electronic phases of condensed matters in a FET geometry has long been a central issue of physical science. In particular, FET based on a strongly correlated material, namely ``Mott transistor,'' has attracted considerable interest, because it potentially provides gigantic and diverse electronic responses due to a strong interplay between charge, spin, orbital and lattice. We have investigated electric-field effects on such materials aiming at novel physical phenomena and electronic functions originating from strong correlation effects. Here we demonstrate electrical switching of bulk state of matter over the first-order metal-insulator transition. We fabricated FETs based on VO2 with use of a recently developed electric-double-layer transistor technique, and found that the electrostatically induced carriers at a channel surface drive all preexisting localized carriers of 1022 cm-3 even inside a bulk to motion, leading to bulk carrier delocalization beyond the electrostatic screening length. This non-local switching of bulk phases is achieved with just around 1 V, and moreover, a novel non-volatile memory like character emerges in a voltage-sweep measurement. These observations are apparently distinct from those of conventional FETs based on band insulators, capturing the essential feature of collective interactions in strongly correlated materials. This work was done in collaboration with K. Shibuya, D. Okuyama, T. Hatano, S. Ono, M. Kawasaki, Y. Iwasa, and Y. Tokura. This work was supported by the Japan Society for the Promotion of Science (JSAP) through its ``Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program).''

Partitioning of tritium between surface and bulk of 316 stainless steel at room temperature

DOE PAGES

Sharpe, M. D.; Fagan, C.; Shmayda, W. T.; ...

2018-03-28

The distribution of tritium between the near surface and the bulk of 316 stainless steel has been measured using two independent techniques: pulsed-plasma exposures and a zinc-chloride wash. Between 17% and 20% of the total inventory absorbed into a stainless-steel sample during a 24-h exposure to DT gas at room temperature resides in the water layers present on the metal surface. Redistribution of tritium between the surface and the bulk of stainless steel, if it occurs, is very slow. Finally, tritium does not appear to enter into the bulk at a rate defined solely by lattice diffusivity.

Partitioning of tritium between surface and bulk of 316 stainless steel at room temperature

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

Sharpe, M. D.; Fagan, C.; Shmayda, W. T.

The distribution of tritium between the near surface and the bulk of 316 stainless steel has been measured using two independent techniques: pulsed-plasma exposures and a zinc-chloride wash. Between 17% and 20% of the total inventory absorbed into a stainless-steel sample during a 24-h exposure to DT gas at room temperature resides in the water layers present on the metal surface. Redistribution of tritium between the surface and the bulk of stainless steel, if it occurs, is very slow. Finally, tritium does not appear to enter into the bulk at a rate defined solely by lattice diffusivity.

Investigating the Consistency of Stellar Evolution Models with Globular Cluster Observations via the Red Giant Branch Bump

NASA Astrophysics Data System (ADS)

Joyce, Meridith; Chaboyer, Brian

2016-01-01

Synthetic Red Giant Branch Bump (RGBB) magnitudes are generated with the most recent theoretical stellar evolution models computed with the Dartmouth Stellar Evolution Program (DSEP) code. They are compared to the observational work of Nataf et al. (2013), who present RGBB magnitudes for 72 globular clusters. A DSEP model using a chemical composition with enhanced α capture [α/Fe] =+0.4 and an age of 13 Gyr shows agreement with observations over metallicities ranging from [Fe/H] = 0 to [Fe/H] ≈-1.5, with discrepancy emerging at lower metallicities. A model-independent, density-based outlier detection routine known as the Local Outlying Factor (LOF) algorithm is applied to the observations in order to identify clusters that deviate most in magnitude-metallicity space from the bulk of the observations. Our model's fit is scrutinized with a series of χ^2 routines performed on subsets of the data from which highly anomalous clusters have been selectively removed based on LOF identification. In particular, NGCs 6254, 6681, 6218, and 1904 are tagged recurrently as outliers. The effects of systematic and non-systematic error in metallicity are assessed, and the robustness of observational error bars is investigated.

One-step electrochemical deposition of Schiff base cobalt complex as effective water oxidation catalyst

NASA Astrophysics Data System (ADS)

Huang, Binbin; Wang, Yan; Zhan, Shuzhong; Ye, Jianshan

2017-02-01

Schiff base metal complexes have been applied in many fields, especially, a potential homogeneous catalyst for water splitting. However, the high overpotential, time consumed synthesis process and complicated working condition largely limit their application. In the present work, a one-step approach to fabricate Schiff base cobalt complex modified electrode is developed. Microrod clusters (MRC) and rough spherical particles (RSP) can be obtained on the ITO electrode through different electrochemical deposition condition. Both of the MRC and RSP present favorable activity for oxygen evolution reaction (OER) compared to the commercial Co3O4, taking an overpotential of 650 mV and 450 mV to drive appreciable catalytic current respectively. The highly active and stable RSP shows a Tafel plot of 84 mV dec-1 and negligible decrease of the current density for 12 h bulk electrolysis. The synthesis strategy of effective and stable catalyst in this work provide a simple method to fabricate heterogeneous OER catalyst with Schiff base metal complex.

Wafer-scale plasmonic and photonic crystal sensors

NASA Astrophysics Data System (ADS)

George, M. C.; Liu, J.-N.; Farhang, A.; Williamson, B.; Black, M.; Wangensteen, T.; Fraser, J.; Petrova, R.; Cunningham, B. T.

2015-08-01

200 mm diameter wafer-scale fabrication, metrology, and optical modeling results are reviewed for surface plasmon resonance (SPR) sensors based on 2-D metallic nano-dome and nano-hole arrays (NHA's) as well as 1-D photonic crystal sensors based on a leaky-waveguide mode resonance effect, with potential applications in label free sensing, surface enhanced Raman spectroscopy (SERS), and surface-enhanced fluorescence spectroscopy (SEFS). Potential markets include micro-arrays for medical diagnostics, forensic testing, environmental monitoring, and food safety. 1-D and 2-D nanostructures were fabricated on glass, fused silica, and silicon wafers using optical lithography and semiconductor processing techniques. Wafer-scale optical metrology results are compared to FDTD modeling and presented along with application-based performance results, including label-free plasmonic and photonic crystal sensing of both surface binding kinetics and bulk refractive index changes. In addition, SEFS and SERS results are presented for 1-D photonic crystal and 2-D metallic nano-array structures. Normal incidence transmittance results for a 550 nm pitch NHA showed good bulk refractive index sensitivity, however an intensity-based design with 665 nm pitch was chosen for use as a compact, label-free sensor at both 650 and 632.8 nm wavelengths. The optimized NHA sensor gives an SPR shift of about 480 nm per refractive index unit when detecting a series of 0-40% glucose solutions, but according to modeling shows about 10 times greater surface sensitivity when operating at 532 nm. Narrow-band photonic crystal resonance sensors showed quality factors over 200, with reasonable wafer-uniformity in terms of both resonance position and peak height.

Localized Metal Solubilization in the Rhizosphere of Salix smithiana upon Sulfur Application

PubMed Central

2015-01-01

A metal-accumulating willow was grown under greenhouse conditions on a Zn/Cd-polluted soil to investigate the effects of sulfur (S0) application on metal solubility and plant uptake. Soil porewater samples were analyzed 8 times during 61 days of growth, while DGT-measured metal flux and O2 were chemically mapped at selected times. Sulfur oxidation resulted in soil acidification and related mobilization of Mn, Zn, and Cd, more pronounced in the rooted compared to bulk soil. Chemical imaging revealed increased DGT-measured Zn and Cd flux at the root-soil interface. Our findings indicated sustained microbial S0 oxidation and associated metal mobilization close to root surfaces. The localized depletion of O2 along single roots upon S0 addition indicated the contribution of reductive Mn (oxy)hydoxide dissolution with Mn eventually becoming a terminal electron acceptor after depletion of O2 and NO3–. The S0 treatments increased the foliar metal concentrations (mg kg–1 dwt) up to 10-fold for Mn, (5810 ± 593), 3.3-fold for Zn (3850 ± 87.0), and 1.7-fold for Cd (36.9 ± 3.35), but had no significant influence on biomass production. Lower metal solubilization in the bulk soils should translate into reduced leaching, offering opportunities for using S0 as environmentally favorable amendment for phytoextraction of metal-polluted soils. PMID:25782052

Non-equilibrium character of resistive switching and negative differential resistance in Ga-doped Cr2O3 system

NASA Astrophysics Data System (ADS)

Bhowmik, R. N.; Siva, K. Venkata

2018-07-01

The samples of Ga-doped Cr2O3 system in rhombohedral crystal structure with space group R 3 bar C were prepared by chemical co-precipitation route and annealing at 800 °C. The current-voltage (I-V) curves exhibited many unique non-linear properties, e.g., hysteresis loop, resistive switching, and negative differential resistance (NDR). In this work, we report non-equilibrium properties of resistive switching and NDR phenomena. The non-equilibrium I-V characteristics were confirmed by repetiting measurement and time relaxation of current. The charge conduction process was understood by analysing the I-V curves using electrode-limited and bulk-limited charge conduction mechanisms, which were proposed for metal electrode/metal oxide/metal electrode structure. The I-V curves in the NDR regime and at higher bias voltage regime in our samples did not obey Fowler-Nordheim equation, which was proposed for charge tunneling mechanism in many thin film junctions. The non-equilibrium I-V phenomena were explained by considering the competitions between the injection of charge carriers from metal electrode to metal oxide, the charge flow through bulk material mediated by trapping/de-trapping and recombination of charge carriers at the defect sites of ions, the space charge effects at the junctions of electrodes and metal oxides, and finally, the out flow of electrons from metal oxide to metal electrode.

RISK REDUCTION VIA GREENER SYNTHESIS OF NOBLE METAL NANOSTRUCTURES AND NANOCOMPOSITES

EPA Science Inventory

Aqueous preparation of nanoparticles using vitamins B2 and C which can function both as reducing and capping agents are described. Bulk and shape-controlled synthesis of noble nanostructures via microwave (MW)-assisted spontaneous reduction of noble metal salts using a-D-glucose,...

Correlation of Mechanical Properties in Bulk Metallic Glasses with 27Al NMR Characteristics

DTIC Science & Technology

2011-12-01

recycle delay of 300 ms. Magnetization measurements were conducted at room temperature using a Quantum Design SQUID magne- tometer. The magnetization of...Gangopadhyay A K, et al. First X-ray scattering studies on electrostatically levitated metallic liquids: Demonstrated influence of local icosahedral

Treatability Study Report for In SITU Lead Immobilization Using Phosphate-Based Binders

DTIC Science & Technology

2008-05-01

include lead, zinc, copper, cadmium, nickel, uranium, barium, cesium, strontium, plutonium, thorium, and other lanthanide and actinide metals. There...Density Bulk density is the measure of the mass per unit volume of the whole soil specimen. American Society for Testing and Materials (ASTM) D 698...Where: m = mass of the soil (grams) V = Volume of sample (cm3) 4.2.2.1.3 Unconfined Compressive Strength (UCS) The UCS test was used to

Liquid Quasicrystals

NASA Astrophysics Data System (ADS)

Ungar, Goran

Following the discovery of quasicrystals by Shechtman and Cahn in 1984, for the following 20 years the new field of QCs was confined to metal alloys and atomic-scale structures. Then, with the discovery of a liquid crystal phase possessing dodecagonal QC symmetry], research interest has extended from metal alloys to those where the motifs were no longer single atoms but assemblies of many molecules. In dendron-based liquid quasicrystals (LQC) between 10-50 molecules form a supramolecular sphere with 103 - 104 atoms. In 2007 a 2-d quasiperiodic phase was found in three-arm star ABC polymers. In 2012 the first linear diblock copolymer was reported to form a sphere-based bulk QC phase, similar to that in dendrimer LQC but on a still larger scale. In the same year bulk QC domains were reported in ``hard'' nanoporous silica, produced however, again from a ``soft'' lyotropic template. The symmetry of all confirmed soft QCs so far is 12-fold. Another important development in soft QCs is the observation of complex QC approximants in a number of side-branched polyphilic LC honeycombs, described by multicolour tilings. In fact, recently we found a genuine dodecagonal QC in such systems, the first example of a 2D LQC. Furthermore, we succeeded in direct AFM imaging of the xy plane of a dendrimer LQC. The images confirm the ``half-step'' inflation rule, proposed earlier but not confirmed until now. Funding is acknowledged from Leverhulme Trust.

Amorphous and Metastable Microcrystalline Rapidly Solidified Alloys: Status and Potential.

DTIC Science & Technology

1980-05-01

stability. 9. More effective quenching techniques should be studied, to produce thicker amorphous tapes for magnetic applications. 10. The production of bulk ...for some metallic glasses * excellent magnetic properties for metallic glasses * high strength, toughness and excellent fatigue and crack growth...Forming 65 Chapter 8 - PROPERTIES OF METALLIC GLASSES 69 Magnetic Properties 69 Electrical Properties 81 Mechanical Properties 83 Radiation Stability 101

Fluidized Bed Sputtering for Particle and Powder Metallization

DTIC Science & Technology

2013-04-01

Introduction Small particles are often added to material systems to modify mechanical, dielectric, optical, or other properties . However, the particle...the poor mechanical properties of the wax degrade the bulk mechanical properties of the composite material . Thin metal coatings on the catalyst...to create precisely tailored optical properties . Alternating layers of ceramic and metal thin films can be designed to create optical filters that

Interfacial reactions between metal and gallium arsenide

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

Lin, J.C.; Schulz, K.J.; Hsieh, K.C.

1989-10-01

The phase formation sequence for GaAs/metal ternary diffusion couples is discussed. The diffusion path concept is introduced and is used with the phase diagram to understand interfacial reactions between GaAs and metal. The correlation between growth kinetics and interface morphology is discussed. Studies of bulk and thin film couples in two systems, GaAs/Pd and GaAs/Pt, are given to illustrate these concepts.

Investigation of microstructure in additive manufactured Inconel 625 by spatially resolved neutron transmission spectroscopy

DOE PAGES

Tremsin, Anton S.; Gao, Yan; Dial, Laura C.; ...

2016-07-08

Non-destructive testing techniques based on neutron imaging and diffraction can provide information on the internal structure of relatively thick metal samples (up to several cm), which are opaque to other conventional non-destructive methods. Spatially resolved neutron transmission spectroscopy is an extension of traditional neutron radiography, where multiple images are acquired simultaneously, each corresponding to a narrow range of energy. The analysis of transmission spectra enables studies of bulk microstructures at the spatial resolution comparable to the detector pixel. In this study we demonstrate the possibility of imaging (with ~100 μm resolution) distribution of some microstructure properties, such as residual strain,more » texture, voids and impurities in Inconel 625 samples manufactured with an additive manufacturing method called direct metal laser melting (DMLM). Although this imaging technique can be implemented only in a few large-scale facilities, it can be a valuable tool for optimization of additive manufacturing techniques and materials and for correlating bulk microstructure properties to manufacturing process parameters. Additionally, the experimental strain distribution can help validate finite element models which many industries use to predict the residual stress distributions in additive manufactured components.« less

Magnetic small-angle neutron scattering on bulk metallic glasses: A feasibility study for imaging displacement fields

NASA Astrophysics Data System (ADS)

Mettus, Denis; Deckarm, Michael; Leibner, Andreas; Birringer, Rainer; Stolpe, Moritz; Busch, Ralf; Honecker, Dirk; Kohlbrecher, Joachim; Hautle, Patrick; Niketic, Nemanja; Fernández, Jesús Rodríguez; Barquín, Luis Fernández; Michels, Andreas

2017-12-01

Magnetic-field-dependent small-angle neutron scattering (SANS) has been utilized to study the magnetic microstructure of bulk metallic glasses (BMGs). In particular, the magnetic scattering from soft magnetic Fe70Mo5Ni5P12.5B2.5C5 and hard magnetic (Nd60Fe30Al10) 92Ni8 alloys in the as-prepared, aged, and mechanically deformed state is compared. While the soft magnetic BMGs exhibit a large field-dependent SANS response with perturbations originating predominantly from spatially varying magnetic anisotropy fields, the SANS cross sections of the hard magnetic BMGs are only weakly dependent on the field, and their angular anisotropy indicates the presence of scattering contributions due to spatially dependent saturation magnetization. Moreover, we observe an unusual increase in the magnetization of the rare-earth-based alloy after deformation. Analysis of the SANS cross sections in terms of the correlation function of the spin misalignment reveals the existence of field-dependent anisotropic long-wavelength magnetization fluctuations on a scale of a few tens of nanometers. We also give a detailed account of how the SANS technique relates to unraveling displacement fields on a mesoscopic length scale in disordered magnetic materials.

Theoretical prediction of Grüneisen parameter for SiO{sub 2}.TiO{sub 2} bulk metallic glasses

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

Singh, Chandra K.; Pandey, Brijesh K., E-mail: bkpmmmec11@gmail.com; Pandey, Anjani K.

2016-05-23

The Grüneisen parameter (γ) is very important to decide the limitations for the prediction of thermoelastic properties of bulk metallic glasses. It can be defined in terms of microscopic and macroscopic parameters of the material in which former is based on vibrational frequencies of atoms in the material while later is closely related to its thermodynamic properties. Different formulation and equation of states are used by the pioneer researchers of this field to predict the true sense of Gruneisen parameter for BMG but for SiO{sub 2}.TiO{sub 2} very few and insufficient information is available till now. In the present workmore » we have tested the validity of two different isothermal EOS viz. Poirrior-Tarantola EOS and Usual-Tait EOS to predict the true value of Gruneisen parameter for SiO{sub 2}.TiO{sub 2} as a function of compression. Using different thermodynamic limitations related to the material constraints and analyzing obtained result it is concluded that the Poirrior-Tarantola EOS gives better numeric values of Grüneisen parameter (γ) for SiO{sub 2}.TiO{sub 2} BMG.« less

Short-range correlations control the G/K and Poisson ratios of amorphous solids and metallic glasses

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

Zaccone, Alessio; Terentjev, Eugene M.

2014-01-21

The bulk modulus of many amorphous materials, such as metallic glasses, behaves nearly in agreement with the assumption of affine deformation, namely that the atoms are displaced just by the amount prescribed by the applied strain. In contrast, the shear modulus behaves as for nonaffine deformations, with additional displacements due to the structural disorder which induce a marked material softening to shear. The consequence is an anomalously large ratio of the bulk modulus to the shear modulus for disordered materials characterized by dense atomic packing, but not for random networks with point atoms. We explain this phenomenon with a microscopicmore » derivation of the elastic moduli of amorphous solids accounting for the interplay of nonaffinity and short-range particle correlations due to excluded volume. Short-range order is responsible for a reduction of the nonaffinity which is much stronger under compression, where the geometric coupling between nonaffinity and the deformation field is strong, whilst under shear this coupling is weak. Predictions of the Poisson ratio based on this model allow us to rationalize the trends as a function of coordination and atomic packing observed with many amorphous materials.« less

Investigation of microstructure in additive manufactured Inconel 625 by spatially resolved neutron transmission spectroscopy.

PubMed

Tremsin, Anton S; Gao, Yan; Dial, Laura C; Grazzi, Francesco; Shinohara, Takenao

2016-01-01

Non-destructive testing techniques based on neutron imaging and diffraction can provide information on the internal structure of relatively thick metal samples (up to several cm), which are opaque to other conventional non-destructive methods. Spatially resolved neutron transmission spectroscopy is an extension of traditional neutron radiography, where multiple images are acquired simultaneously, each corresponding to a narrow range of energy. The analysis of transmission spectra enables studies of bulk microstructures at the spatial resolution comparable to the detector pixel. In this study we demonstrate the possibility of imaging (with ~100 μm resolution) distribution of some microstructure properties, such as residual strain, texture, voids and impurities in Inconel 625 samples manufactured with an additive manufacturing method called direct metal laser melting (DMLM). Although this imaging technique can be implemented only in a few large-scale facilities, it can be a valuable tool for optimization of additive manufacturing techniques and materials and for correlating bulk microstructure properties to manufacturing process parameters. In addition, the experimental strain distribution can help validate finite element models which many industries use to predict the residual stress distributions in additive manufactured components.

Mechanical Behavior of Spray-Coated Metallic Laminates

NASA Astrophysics Data System (ADS)

Vackel, Andrew; Nakamura, Toshio; Sampath, Sanjay

2016-06-01

Thermal spray (TS) coatings have been extensively utilized for various surface modifications such as enhancing wear/erosion resistance and thermal protection. In the present study, a new function of TS material is explored by studying its load-carrying capability. Due to the inherent microstructures containing voids and interfaces, it has been presumed TS materials were not suitable to bear loads. However, the recent advances in TS technology to manufacture near fully dense TS coatings have expanded their potential applications. In the current experiments, TS nickel coatings are deposited onto metallic substrates, and their mechanical behaviors are closely examined. Based on the measured data, the estimated elastic modulus of TS Ni is about 130 GPa (35% less than bulk value), and the maximum tensile strength is about 500 MPa (comparable to bulk value). It was found that such a high value is attainable because the coating is deposited onto a substrate, enabling a load-transfer mechanism and preventing coating failure at a much lower stress level. Three distinct deformation stages are identified to describe this behavior. Such a clarification is critical for enabling TS process to restore structural parts as well as to additively manufacture load-bearing components.

Investigation of microstructure in additive manufactured Inconel 625 by spatially resolved neutron transmission spectroscopy

NASA Astrophysics Data System (ADS)

Tremsin, Anton S.; Gao, Yan; Dial, Laura C.; Grazzi, Francesco; Shinohara, Takenao

2016-01-01

Non-destructive testing techniques based on neutron imaging and diffraction can provide information on the internal structure of relatively thick metal samples (up to several cm), which are opaque to other conventional non-destructive methods. Spatially resolved neutron transmission spectroscopy is an extension of traditional neutron radiography, where multiple images are acquired simultaneously, each corresponding to a narrow range of energy. The analysis of transmission spectra enables studies of bulk microstructures at the spatial resolution comparable to the detector pixel. In this study we demonstrate the possibility of imaging (with 100 μm resolution) distribution of some microstructure properties, such as residual strain, texture, voids and impurities in Inconel 625 samples manufactured with an additive manufacturing method called direct metal laser melting (DMLM). Although this imaging technique can be implemented only in a few large-scale facilities, it can be a valuable tool for optimization of additive manufacturing techniques and materials and for correlating bulk microstructure properties to manufacturing process parameters. In addition, the experimental strain distribution can help validate finite element models which many industries use to predict the residual stress distributions in additive manufactured components.

Investigation of microstructure in additive manufactured Inconel 625 by spatially resolved neutron transmission spectroscopy

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

Tremsin, Anton S.; Gao, Yan; Dial, Laura C.

Non-destructive testing techniques based on neutron imaging and diffraction can provide information on the internal structure of relatively thick metal samples (up to several cm), which are opaque to other conventional non-destructive methods. Spatially resolved neutron transmission spectroscopy is an extension of traditional neutron radiography, where multiple images are acquired simultaneously, each corresponding to a narrow range of energy. The analysis of transmission spectra enables studies of bulk microstructures at the spatial resolution comparable to the detector pixel. In this study we demonstrate the possibility of imaging (with ~100 μm resolution) distribution of some microstructure properties, such as residual strain,more » texture, voids and impurities in Inconel 625 samples manufactured with an additive manufacturing method called direct metal laser melting (DMLM). Although this imaging technique can be implemented only in a few large-scale facilities, it can be a valuable tool for optimization of additive manufacturing techniques and materials and for correlating bulk microstructure properties to manufacturing process parameters. Additionally, the experimental strain distribution can help validate finite element models which many industries use to predict the residual stress distributions in additive manufactured components.« less

Investigation of microstructure in additive manufactured Inconel 625 by spatially resolved neutron transmission spectroscopy

PubMed Central

Tremsin, Anton S.; Gao, Yan; Dial, Laura C.; Grazzi, Francesco; Shinohara, Takenao

2016-01-01

Abstract Non-destructive testing techniques based on neutron imaging and diffraction can provide information on the internal structure of relatively thick metal samples (up to several cm), which are opaque to other conventional non-destructive methods. Spatially resolved neutron transmission spectroscopy is an extension of traditional neutron radiography, where multiple images are acquired simultaneously, each corresponding to a narrow range of energy. The analysis of transmission spectra enables studies of bulk microstructures at the spatial resolution comparable to the detector pixel. In this study we demonstrate the possibility of imaging (with ~100 μm resolution) distribution of some microstructure properties, such as residual strain, texture, voids and impurities in Inconel 625 samples manufactured with an additive manufacturing method called direct metal laser melting (DMLM). Although this imaging technique can be implemented only in a few large-scale facilities, it can be a valuable tool for optimization of additive manufacturing techniques and materials and for correlating bulk microstructure properties to manufacturing process parameters. In addition, the experimental strain distribution can help validate finite element models which many industries use to predict the residual stress distributions in additive manufactured components. PMID:27877885

Saddle-like topological surface states on the T T'X family of compounds (T , T' = Transition metal, X =Si , Ge)

NASA Astrophysics Data System (ADS)

Singh, Bahadur; Zhou, Xiaoting; Lin, Hsin; Bansil, Arun

2018-02-01

Topological nodal-line semimetals are exotic conductors that host symmetry-protected conducting nodal lines in their bulk electronic spectrum and nontrivial drumhead states on the surface. Based on first-principles calculations and an effective model analysis, we identify the presence of topological nodal-line semimetal states in the low crystalline symmetric T T'X family of compounds (T ,T' = transition metal, X = Si or Ge) in the absence of spin-orbit coupling (SOC). Taking ZrPtGe as an exemplar system, we show that owing to small lattice symmetry this material harbors a single nodal line on the ky=0 plane with large energy dispersion and unique drumhead surface state with a saddlelike energy dispersion. When the SOC is included, the nodal line gaps out and the system transitions to a strong topological insulator state with Z2=(1 ;000 ) . The topological surface state evolves from the drumhead surface state via the sharing of its saddlelike energy dispersion within the bulk energy gap. These features differ remarkably from those of the currently known topological surface states in topological insulators such as Bi2Se3 with Dirac-cone-like energy dispersions.

The stability and half-metallicity of (001) surface and (001) interface based on zinc blende MnAs

NASA Astrophysics Data System (ADS)

Han, Hongpei; Feng, Tuanhui; Zhang, Chunli; Feng, Zhibo; Li, Ming; Yao, K. L.

2018-06-01

Motivated by the growth of MnAs/GaAs thin films in many experimental researches, we investigate the electronic and magnetic properties of bulk, (001) surfaces and (001) interfaces for zinc blende MnAs by means of first-principle calculations. It is confirmed that zinc blende MnAs is a nearly half-metallic ferromagnet with 4.00 μB magnetic moment. The calculated density of states show that the half-metallicity exists in As-terminated (001) surface while it is lost in Mn-terminated (001) surface. For the (001) interfaces of MnAs with semiconductor GaAs, it is found that As-Ga and Mn-As interfaces not only have higher spin polarization but also are more stable among the four considered interfaces. Our results would be helpful to grow stable and high polarized thin films or multilayers for the practical applications of spintronic devices.

Questionable inheritance: What Processes on Planetesimals Mean for the Bulk Composition of the Earth

NASA Astrophysics Data System (ADS)

Elkins-Tanton, L. T.

2015-12-01

Interrogating Earth's interior is limited to indirect means, such as seismic or magnetic fields, and relies heavily on modeling. A large body of literature either attempts to constrain the composition of the deep mantle by mass balancing the Earth with a chondritic composition, or to demonstrate that the Earth does not have a chondritic composition. These models provide predictions for the composition and density of the ultra-low shear wave provinces and for the D" layer, among others, and compare their results to structures resulting from seismic studies. The bulk composition of the Earth, however, remains an open question. We now know that the planets accreted from embryos that were already differentiated. The complexity of processes that occurred on planetesimals and planetary embryos are just beginning to come to light. Heating by radiogenic 26Al likely produced waves of hydration and dehydration in planetesimals. These free fluids may have carried a wide range of volatiles, moving them from the interior to the lid, or even losing them to space. Simultaneously, the first free fluids may have reacted with metals, producing oxides or sulfides. Further heating is required to reduce these to metals and made core formation possible; or perhaps the earliest cores are not fully metallic. These planetesimals and the embryos they were growing into were subjected to a series of impacts. As the work of Asphaug and his group have demonstrated, some of these are accretionary impacts, and some are hit-and-run, or destructive impacts. These destructive impacts may have reduced the thickness of Mercury's mantle, and stripped the mantle off the metal asteroid Psyche. Where, then would the shattered silicates from such collisions go? Asphuag suggests that at least in part they are added to the growing terrestrial planets. If the planetesimals and planetary embryos were compositionally heterogeneous because of interior fluid and magma movement, then the silicates blown off them by impacts would not have a bulk chondritic composition. The growing planets would not then have a bulk chondritic composition. This talk will discuss the possible ramifications of this model and its application to bulk Earth models.

Structure, bonding, and catalytic activity of monodisperse, transition-metal-substituted CeO2 nanoparticles.

PubMed

Elias, Joseph S; Risch, Marcel; Giordano, Livia; Mansour, Azzam N; Shao-Horn, Yang

2014-12-10

We present a simple and generalizable synthetic route toward phase-pure, monodisperse transition-metal-substituted ceria nanoparticles (M0.1Ce0.9O2-x, M = Mn, Fe, Co, Ni, Cu). The solution-based pyrolysis of a series of heterobimetallic Schiff base complexes ensures a rigorous control of the size, morphology and composition of 3 nm M0.1Ce0.9O2-x crystallites for CO oxidation catalysis and other applications. X-ray absorption spectroscopy confirms the dispersion of aliovalent (M(3+) and M(2+)) transition metal ions into the ceria matrix without the formation of any bulk transition metal oxide phases, while steady-state CO oxidation catalysis reveals an order of magnitude increase in catalytic activity with copper substitution. Density functional calculations of model slabs of these compounds confirm the stabilization of M(3+) and M(2+) in the lattice of CeO2. These results highlight the role of the host CeO2 lattice in stabilizing high oxidation states of aliovalent transition metal dopants that ordinarily would be intractable, such as Cu(3+), as well as demonstrating a rational approach to catalyst design. The current work demonstrates, for the first time, a generalizable approach for the preparation of transition-metal-substituted CeO2 for a broad range of transition metals with unparalleled synthetic control and illustrates that Cu(3+) is implicated in the mechanism for CO oxidation on CuO-CeO2 catalysts.

Metal concentrations in aggregate interiors, exteriors, whole aggregates, and bulk of Costa Rican soils

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

Wilcke, W.; Kretzschmar, S.; Bundt, M.

1999-10-01

In many temperate soils the preferential weathering and leaching of aggregate surfaces and the nonaggregated material between aggregates depletes geogenic metals. It also shifts metals from strongly to more weakly bound metal forms. Deposited metals are sorbed preferentially on aggregate surfaces and between aggregates. The authors examined whether preferential desilication under tropical climate causes an enrichment in the aggregate exteriors in oxidic forms of metals. They also studied where deposited metals are bound in these soils. Aggregates (2--20 mm) were selected manually from the A horizons of eight Oxisols, six Andisols, two Mollisols, and two Inceptisols in Costa Rica. Allmore » samples were fractionated into interior and exterior portions and treated with a seven-step sequence to extract Al, Cd, Cu, Fe, Mn, Pb, and Zn. Total concentrations of all metals except Zn were higher in the aggregate exteriors than in the interiors. The average Cd and Pb concentrations in easily extractable fractions were significantly higher in the aggregate exteriors. There were no significant differences in metal partitioning between interiors and exteriors except for Pb, which had higher proportions in extractable forms with NH{sub 2}OH {center{underscore}dot} HCl {gt} NH{sub 4} - acetate, pH 6.0 {gt} EDTA in the exteriors. There were few significant differences in metal concentrations and partitioning between bulk soil and whole aggregates. The results may be explained by (i) preferential desilication of the aggregate exteriors and (ii) preferential sorption of deposited heavy metals mainly in easily extractable forms.« less

Pulse regime in formation of fractal fibers

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

Smirnov, B. M., E-mail: bmsmirnov@gmail.com

The pulse regime of vaporization of a bulk metal located in a buffer gas is analyzed as a method of generation of metal atoms under the action of a plasma torch or a laser beam. Subsequently these atoms are transformed into solid nanoclusters, fractal aggregates and then into fractal fibers if the growth process proceeds in an external electric field. We are guided by metals in which transitions between s and d-electrons of their atoms are possible, since these metals are used as catalysts and filters in interaction with gas flows. The resistance of metal fractal structures to a gasmore » flow is evaluated that allows one to find optimal parameters of a fractal structure for gas flow propagation through it. The thermal regime of interaction between a plasma pulse or a laser beam and a metal surface is analyzed. It is shown that the basic energy from an external source is consumed on a bulk metal heating, and the efficiency of atom evaporation from the metal surface, that is the ratio of energy fluxes for vaporization and heating, is 10{sup –3}–10{sup –4} for transient metals under consideration. A typical energy flux (~10{sup 6} W/cm{sup 2}), a typical surface temperature (~3000 K), and a typical pulse duration (~1 μs) provide a sufficient amount of evaporated atoms to generate fractal fibers such that each molecule of a gas flow collides with the skeleton of fractal fibers many times.« less

Resistivity of Rotated Graphite-Graphene Contacts.

PubMed

Chari, Tarun; Ribeiro-Palau, Rebeca; Dean, Cory R; Shepard, Kenneth

2016-07-13

Robust electrical contact of bulk conductors to two-dimensional (2D) material, such as graphene, is critical to the use of these 2D materials in practical electronic devices. Typical metallic contacts to graphene, whether edge or areal, yield a resistivity of no better than 100 Ω μm but are typically >10 kΩ μm. In this Letter, we employ single-crystal graphite for the bulk contact to graphene instead of conventional metals. The graphite contacts exhibit a transfer length up to four-times longer than in conventional metallic contacts. Furthermore, we are able to drive the contact resistivity to as little as 6.6 Ω μm(2) by tuning the relative orientation of the graphite and graphene crystals. We find that the contact resistivity exhibits a 60° periodicity corresponding to crystal symmetry with additional sharp decreases around 22° and 39°, which are among the commensurate angles of twisted bilayer graphene.

Ground state properties of 3d metals from self-consistent GW approach

DOE PAGES

Kutepov, Andrey L.

2017-10-06

The self consistent GW approach (scGW) has been applied to calculate the ground state properties (equilibrium Wigner–Seitz radius S WZ and bulk modulus B) of 3d transition metals Sc, Ti, V, Fe, Co, Ni, and Cu. The approach systematically underestimates S WZ with average relative deviation from the experimental data of about 1% and it overestimates the calculated bulk modulus with relative error of about 25%. We show that scGW is superior in accuracy as compared to the local density approximation but it is less accurate than the generalized gradient approach for the materials studied. If compared to the randommore » phase approximation, scGW is slightly less accurate, but its error for 3d metals looks more systematic. Lastly, the systematic nature of the deviation from the experimental data suggests that the next order of the perturbation theory should allow one to reduce the error.« less

Ground state properties of 3d metals from self-consistent GW approach

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

Kutepov, Andrey L.

The self consistent GW approach (scGW) has been applied to calculate the ground state properties (equilibrium Wigner–Seitz radius S WZ and bulk modulus B) of 3d transition metals Sc, Ti, V, Fe, Co, Ni, and Cu. The approach systematically underestimates S WZ with average relative deviation from the experimental data of about 1% and it overestimates the calculated bulk modulus with relative error of about 25%. We show that scGW is superior in accuracy as compared to the local density approximation but it is less accurate than the generalized gradient approach for the materials studied. If compared to the randommore » phase approximation, scGW is slightly less accurate, but its error for 3d metals looks more systematic. Lastly, the systematic nature of the deviation from the experimental data suggests that the next order of the perturbation theory should allow one to reduce the error.« less

Cytotoxicity of titanium and titanium alloying elements.

PubMed

Li, Y; Wong, C; Xiong, J; Hodgson, P; Wen, C

2010-05-01

It is commonly accepted that titanium and the titanium alloying elements of tantalum, niobium, zirconium, molybdenum, tin, and silicon are biocompatible. However, our research in the development of new titanium alloys for biomedical applications indicated that some titanium alloys containing molybdenum, niobium, and silicon produced by powder metallurgy show a certain degree of cytotoxicity. We hypothesized that the cytotoxicity is linked to the ion release from the metals. To prove this hypothesis, we assessed the cytotoxicity of titanium and titanium alloying elements in both forms of powder and bulk, using osteoblast-like SaOS(2) cells. Results indicated that the metal powders of titanium, niobium, molybdenum, and silicon are cytotoxic, and the bulk metals of silicon and molybdenum also showed cytotoxicity. Meanwhile, we established that the safe ion concentrations (below which the ion concentration is non-toxic) are 8.5, 15.5, 172.0, and 37,000.0 microg/L for molybdenum, titanium, niobium, and silicon, respectively.

Investigation of fatigue strength of tool steels in sheet-bulk metal forming

NASA Astrophysics Data System (ADS)

Pilz, F.; Gröbel, D.; Merklein, M.

2018-05-01

To encounter trends regarding an efficient production of complex functional components in forming technology, the process class of sheet-bulk metal forming (SBMF) can be applied. SBMF is characterized by the application of bulk forming operations on sheet metal, often in combination with sheet forming operations [1]. The combination of these conventional process classes leads to locally varying load conditions. The resulting load conditions cause high tool loads, which lead to a reduced tool life, and an uncontrolled material flow. Several studies have shown that locally modified tool surfaces, so-called tailored surfaces, have the potential to control the material flow and thus to increase the die filling of functional elements [2]. A combination of these modified tool surfaces and high tool loads in SBMF is furthermore critical for the tool life and leads to fatigue. Tool fatigue is hardly predictable and due to a lack of data [3], a challenge in tool design. Thus, it is necessary to provide such data for tool steels used in SBMF. The aim of this study is the investigation of the influence of tailored surfaces on the fatigue strength of the powder metallurgical tool steel ASP2023 (1.3344, AISI M3:2), which is typically used in cold forging applications, with a hardness 60 HRC ± 1 HRC. To conduct this investigation, the rotating bending test is chosen. As tailored surfaces, a DLC-coating and a surface manufactured by a high-feed-milling process are chosen. As reference a polished surface which is typical for cold forging tools is used. Before the rotating bending test, the surface integrity is characterized by measuring topography and residual stresses. After testing, the determined values of the surface integrity are correlated with the reached fracture load cycle to derive functional relations. Based on the gained results the investigated tailored surfaces are evaluated regarding their feasibility to modify tool surfaces within SBMF.

Journey to a metal world: Concept for a Discovery mission to Psyche

NASA Astrophysics Data System (ADS)

Wenkert, D.; Elkins-Tanton, L. T.; Asphaug, E. I.; Bairstow, S.; Bell, J. F.; Bercovici, D. A.; Bills, B. G.; Binzel, R. P.; Bottke, W. F.; Jun, I.; Landau, D.; Marchi, S.; Oh, D.; Weiss, B. P.; Zuber, M. T.

2013-12-01

Psyche is one of the most singular asteroids in the main belt. It is thought to be the core of a Vesta-sized planetesimal, exposed through collisions. Based on spectra, radar surface properties, and bulk density estimates, it appears to be a world not of ice or silicate rock, but of iron. By understanding its nature, we can glean insights into the differentiation of planetesimals, the growth of planets, the composition and structure of a planetary core, and the geology of a metallic body. For all of these reasons, and its relative accessibility to low cost rendezvous and orbit, Psyche is a superb target for a Discovery-class mission that would measure its geology and geomorphology, shape, composition, magnetic field, and mass distribution.

Sorption of chlorobenzenes to cape cod aquifer sediments

USGS Publications Warehouse

Barber, L.B.

1994-01-01

Sorption of tetra- and pentachlorobenzene by sediment from a glacial outwash aquifer on Cape Cod, MA, was evaluated. Particle size and mineralogical fractions (separated based on paramagnetic susceptibility) were characterized with respect to sediment organic carbon (SOC), mineralogy, surface area, metal oxide coatings, and spatial variability. SOC increases by a factor of 10 as particle size decreases from 500-1000 to ?? 25 % in the <63-??m fraction, and SOC is preferentially associated with the magnetic minerals. Sorption increases with decreasing particle size (increasing SOC, magnetic minerals, surface area, and metal oxyhydroxides), and the magnetic mineral fraction has greater sorption than the bulk or nonmagnetic fractions. Removal of SOC decreases sorption proportional to the decrease in SOC and results in a nonlinear isotherm.

Potential benefits and phytotoxicity of bulk and nano-chitosan on the growth, morphogenesis, physiology, and micropropagation of Capsicum annuum.

PubMed

Asgari-Targhi, Ghasem; Iranbakhsh, Alireza; Ardebili, Zahra Oraghi

2018-06-01

Concerning environmental issues of metal based-nanomaterials and increasing demand for nano-based products; various strategies have been employed to find eco-friendly natural nano-compounds, among which nano-polymer chitosan is mostly considered. Herein, the various aspects of the way in which bulk or nano-chitosan may modify growth, morphogenesis, micropropagation, and physiology of Capsicum annuum L. were considered. Culture medium was manipulated with different concentrations of bulk chitosan or synthesized chitosan/tripolyphosphate (TPP) nano-particle. The supplementations of culture media led to changes in morphology (especially, the root architecture) and differentiation. Toxic doses of bulk (100 mgL -1 ) or nano-chitosan (5, 10, and 20 mgL -1 ) dramatically provoked cessation of plant growth and development. Plant growth and biomass accumulations were increased along with the suitable levels of bulk or nano-chitosan. Peroxidase and catalase activities in a dose and organ-dependent manners were significantly modified by the supplements. Phenylalanine ammonia lyase was induced by the mentioned supplements. Also, the contents of soluble phenols, proline, and alkaloid were found to be significantly increased by the elicitors, over the control. The nano-chitosan of 1 mgL -1 was found to be the most effective elicitor to trigger organogenesis via micropropagation. The huge differences between triggering and toxic concentrations of the supplements would be due to the physicochemical modifications of nano-polymeric. Furthermore, the results highlight the potential benefits (hormone-like activity) and phytotoxic impacts of nano-chitosan/TPP for in vitro manipulations. This is the first report on both the favorable and adverse effects of nano-chitosan/TPP, representing requirements for further investigation on such formulations for future applications. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

Permanent magnet with MgB{sub 2} bulk superconductor

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

Yamamoto, Akiyasu, E-mail: yamamoto@appchem.t.u-tokyo.ac.jp; JST-PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012; Ishihara, Atsushi

2014-07-21

Superconductors with persistent zero-resistance currents serve as permanent magnets for high-field applications requiring a strong and stable magnetic field, such as magnetic resonance imaging. The recent global helium shortage has quickened research into high-temperature superconductors (HTSs)—materials that can be used without conventional liquid-helium cooling to 4.2 K. Herein, we demonstrate that 40-K-class metallic HTS magnesium diboride (MgB{sub 2}) makes an excellent permanent bulk magnet, maintaining 3 T at 20 K for 1 week with an extremely high stability (<0.1 ppm/h). The magnetic field trapped in this magnet is uniformly distributed, as for single-crystalline neodymium-iron-boron. Magnetic hysteresis loop of the MgB{sub 2} permanent bulkmore » magnet was determined. Because MgB{sub 2} is a simple-binary-line compound that does not contain rare-earth metals, polycrystalline bulk material can be industrially fabricated at low cost and with high yield to serve as strong magnets that are compatible with conventional compact cryocoolers, making MgB{sub 2} bulks promising for the next generation of Tesla-class permanent-magnet applications.« less

Development of interface-dominant bulk Cu/V nanolamellar composites by cross accumulative roll bonding

PubMed Central

Zeng, L. F.; Gao, R.; Xie, Z. M.; Miao, S.; Fang, Q. F.; Wang, X. P.; Zhang, T.; Liu, C. S.

2017-01-01

Traditional nanostructured metals are inherently comprised of a high density of high-energy interfaces that make this class of materials not stable in extreme conditions. Therefore, high performance bulk nanostructured metals containing stable interfaces are highly desirable for extreme environments applications. Here, we reported an attractive bulk Cu/V nanolamellar composite that was successfully developed by integrating interface engineering and severe plastic deformation techniques. The layered morphology and ordered Cu/V interfaces remained stable with respect to continued rolling (total strain exceeding 12). Most importantly, for layer thickness of 25 nm, this bulk Cu/V nanocomposite simultaneously achieves high strength (hardness of 3.68 GPa) and outstanding thermal stability (up to 700 °C), which are quite difficult to realize simultaneously in traditional nanostructured materials. Such extraordinary property in our Cu/V nanocomposite is achieved via an extreme rolling process that creates extremely high density of stable Cu/V heterophase interfaces and low density of unstable grain boundaries. In addition, high temperature annealing result illustrates that Rayleigh instability is the dominant mechanism driving the onset of thermal instability after exposure to 800 °C. PMID:28094346

Topological-insulator-based terahertz modulator

DOE PAGES

Wang, X. B.; Cheng, L.; Wu, Y.; ...

2017-10-18

Three dimensional topological insulators, as a new phase of quantum matters, are characterized by an insulating gap in the bulk and a metallic state on the surface. Particularly, most of the topological insulators have narrow band gaps, and hence have promising applications in the area of terahertz optoelectronics. In this work, we experimentally demonstrate an electronically-tunable terahertz intensity modulator based on Bi 1:5Sb 0:5Te 1:8Se 1:2 single crystal, one of the most insulating topological insulators. A relative frequency-independent modulation depth of ~62% over a wide frequency range from 0.3 to 1.4 THz has been achieved at room temperature, by applyingmore » a bias current of 100 mA. The modulation in the low current regime can be further enhanced at low temperature. We propose that the extraordinarily large modulation is a consequence of thermally-activated carrier absorption in the semiconducting bulk states. Our work provides a new application of topological insulators for terahertz technology.« less

Superconductivity at 43K in SmFeAsO1-xFx

NASA Astrophysics Data System (ADS)

Chen, X. H.; Wu, T.; Wu, G.; Liu, R. H.; Chen, H.; Fang, D. F.

2008-06-01

Since the discovery of high-transition-temperature (high-Tc) superconductivity in layered copper oxides, extensive effort has been devoted to exploring the origins of this phenomenon. A Tc higher than 40K (about the theoretical maximum predicted from Bardeen-Cooper-Schrieffer theory), however, has been obtained only in the copper oxide superconductors. The highest reported value for non-copper-oxide bulk superconductivity is Tc = 39K in MgB2 (ref. 2). The layered rare-earth metal oxypnictides LnOFeAs (where Ln is La-Nd, Sm and Gd) are now attracting attention following the discovery of superconductivity at 26K in the iron-based LaO1-xFxFeAs (ref. 3). Here we report the discovery of bulk superconductivity in the related compound SmFeAsO1-xFx, which has a ZrCuSiAs-type structure. Resistivity and magnetization measurements reveal a transition temperature as high as 43K. This provides a new material base for studying the origin of high-temperature superconductivity.

Topological-insulator-based terahertz modulator

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

Wang, X. B.; Cheng, L.; Wu, Y.

Three dimensional topological insulators, as a new phase of quantum matters, are characterized by an insulating gap in the bulk and a metallic state on the surface. Particularly, most of the topological insulators have narrow band gaps, and hence have promising applications in the area of terahertz optoelectronics. In this work, we experimentally demonstrate an electronically-tunable terahertz intensity modulator based on Bi 1:5Sb 0:5Te 1:8Se 1:2 single crystal, one of the most insulating topological insulators. A relative frequency-independent modulation depth of ~62% over a wide frequency range from 0.3 to 1.4 THz has been achieved at room temperature, by applyingmore » a bias current of 100 mA. The modulation in the low current regime can be further enhanced at low temperature. We propose that the extraordinarily large modulation is a consequence of thermally-activated carrier absorption in the semiconducting bulk states. Our work provides a new application of topological insulators for terahertz technology.« less

Work function of bulk-insulating topological insulator Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y}

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

Takane, Daichi; Souma, Seigo; Center for Spintronics Research Network, Tohoku University, Sendai 980-8577

Recent discovery of bulk insulating topological insulator (TI) Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y} paved a pathway toward practical device application of TIs. For realizing TI-based devices, it is necessary to contact TIs with a metal. Since the band-bending at the interface dominates the character of devices, knowledge of TIs' work function is of essential importance. We have determined the compositional dependence of the work function in Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y} by high-resolution photoemission spectroscopy. The obtained work-function values (4.95–5.20 eV) track the energy shift of the surface chemical potential seen by angle-resolved photoemission spectroscopy. The present result serves as amore » useful guide for developing TI-based electronic devices.« less

Preparation of Nanocomposite Plasmonic Films Made from Cellulose Nanocrystals or Mesoporous Silica Decorated with Unidirectionally Aligned Gold Nanorods.

PubMed

Campbell, Michael G; Liu, Qingkun; Sanders, Aric; Evans, Julian S; Smalyukh, Ivan I

2014-04-11

Using liquid crystalline self-assembly of cellulose nanocrystals, we achieve long-range alignment of anisotropic metal nanoparticles in colloidal nanocrystal dispersions that are then used to deposit thin structured films with ordering features highly dependent on the deposition method. These hybrid films are comprised of gold nanorods unidirectionally aligned in a matrix that can be made of ordered cellulose nanocrystals or silica nanostructures obtained by using cellulose-based nanostructures as a replica. The ensuing long-range alignment of gold nanorods in both cellulose-based and nanoporous silica films results in a polarization-sensitive surface plasmon resonance. The demonstrated device-scale bulk nanoparticle alignment may enable engineering of new material properties arising from combining the orientational ordering of host nanostructures and properties of the anisotropic plasmonic metal nanoparticles. Our approach may also allow for scalable fabrication of plasmonic polarizers and nanoporous silica structures with orientationally ordered anisotropic plasmonic nanoinclusions.

Vibration damping of elastic waves in electrically conducting media subjected to high magnetic fields

NASA Technical Reports Server (NTRS)

Horwath, T. G.

1992-01-01

The propagation of vibrational energy in bulk, torsional, and flexural modes, in electrically conducting media can undergo strong attenuation if subjected to high magnetic fields in certain spatial arrangements. The reasons for this are induced Eddy currents which are generated by the volume elements in the media moving transversally to the magnetic field at acoustic velocities. In magnetic fields achievable with superconductors, the non-conservative (dissipative) forces are compared to the elastic and inertial forces for most metals. Strong dissipation of vibrational energy in the form of heat takes place as a result. A simplified theory is presented based on engineering representations of electrodynamics, attenuation values for representative metals are calculated, and problems encountered in formulating a generalized theory based on electrodynamics of moving media are discussed. General applications as well as applications specific to maglev are discussed.

Magnetic Binary Silicide Nanostructures.

PubMed

Goldfarb, Ilan; Cesura, Federico; Dascalu, Matan

2018-05-02

In spite of numerous advantageous properties of silicides, magnetic properties are not among them. Here, the magnetic properties of epitaxial binary silicide nanostructures are discussed. The vast majority of binary transition-metal silicides lack ferromagnetic order in their bulk-size crystals. Silicides based on rare-earth metals are usually weak ferromagnets or antiferromagnets, yet both groups tend to exhibit increased magnetic ordering in low-dimensional nanostructures, in particular at low temperatures. The origin of this surprising phenomenon lies in undercoordinated atoms at the nanostructure extremities, such as 2D (surfaces/interfaces), 1D (edges), and 0D (corners) boundaries. Uncompensated superspins of edge atoms increase the nanostructure magnetic shape anisotropy to the extent where it prevails over its magnetocrystalline counterpart, thus providing a plausible route toward the design of a magnetic response from nanostructure arrays in Si-based devices, such as bit-patterned magnetic recording media and spin injectors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

New chemistry of transition metal oxyhydrides

PubMed Central

Kobayashi, Yoji; Hernandez, Olivier; Tassel, Cédric; Kageyama, Hiroshi

2017-01-01

Abstract In this review we describe recent advances in transition metal oxyhydride chemistry obtained by topochemical routes, such as low temperature reduction with metal hydrides, or high-pressure solid-state reactions. Besides the crystal chemistry, magnetic and transport properties of the bulk powder and epitaxial thin film samples, the remarkable lability of the hydride anion is particularly highlighted as a new strategy to discover unprecedented mixed anion materials. PMID:29383042

Modulation of Crystal Surface and Lattice by Doping: Achieving Ultrafast Metal-Ion Insertion in Anatase TiO2.

PubMed

Wang, Hsin-Yi; Chen, Han-Yi; Hsu, Ying-Ya; Stimming, Ulrich; Chen, Hao Ming; Liu, Bin

2016-10-26

We report that an ultrafast kinetics of reversible metal-ion insertion can be realized in anatase titanium dioxide (TiO 2 ). Niobium ions (Nb 5+ ) were carefully chosen to dope and drive anatase TiO 2 into very thin nanosheets standing perpendicularly onto transparent conductive electrode (TCE) and simultaneously construct TiO 2 with an ion-conducting surface together with expanded ion diffusion channels, which enabled ultrafast metal ions to diffuse across the electrolyte/solid interface and into the bulk of TiO 2 . To demonstrate the superior metal-ion insertion rate, the electrochromic features induced by ion intercalation were examined, which exhibited the best color switching speed of 4.82 s for coloration and 0.91 s for bleaching among all reported nanosized TiO 2 devices. When performed as the anode for the secondary battery, the modified TiO 2 was capable to deliver a highly reversible capacity of 61.2 mAh/g at an ultrahigh specific current rate of 60 C (10.2 A/g). This fast metal-ion insertion behavior was systematically investigated by the well-controlled electrochemical approaches, which quantitatively revealed both the enhanced surface kinetics and bulk ion diffusion rate. Our study could provide a facile methodology to modulate the ion diffusion kinetics for metal oxides.

Design Principles for Metal Oxide Redox Materials for Solar-Driven Isothermal Fuel Production.

PubMed

Michalsky, Ronald; Botu, Venkatesh; Hargus, Cory M; Peterson, Andrew A; Steinfeld, Aldo

2015-04-01

The performance of metal oxides as redox materials is limited by their oxygen conductivity and thermochemical stability. Predicting these properties from the electronic structure can support the screening of advanced metal oxides and accelerate their development for clean energy applications. Specifically, reducible metal oxide catalysts and potential redox materials for the solar-thermochemical splitting of CO 2 and H 2 O via an isothermal redox cycle are examined. A volcano-type correlation is developed from available experimental data and density functional theory. It is found that the energy of the oxygen-vacancy formation at the most stable surfaces of TiO 2 , Ti 2 O 3 , Cu 2 O, ZnO, ZrO 2 , MoO 3 , Ag 2 O, CeO 2 , yttria-stabilized zirconia, and three perovskites scales with the Gibbs free energy of formation of the bulk oxides. Analogously, the experimental oxygen self-diffusion constants correlate with the transition-state energy of oxygen conduction. A simple descriptor is derived for rapid screening of oxygen-diffusion trends across a large set of metal oxide compositions. These general trends are rationalized with the electronic charge localized at the lattice oxygen and can be utilized to predict the surface activity, the free energy of complex bulk metal oxides, and their oxygen conductivity.

Metal-Insulator Transition in Epitaxial Pyrochlore Iridates Bi2Ir2O7 thin Films

NASA Astrophysics Data System (ADS)

Chu, Jiun-Haw; Liu, Jian; Yi, Di; Rayan-Serrao, C.; Suresha, S.; Marti, Xavi; Riggs, Scott; Shapiro, Max; Ian, Fisher; Ramesh, R.

2013-03-01

Recently there is a surge of interest in searching for topological order in correlated electronic systems such as transition metal oxides. The strong spin-orbit interaction of 5d electrons and the geometric frustration in the crystal lattice make the pyrochlore iridate(A2Ir2O7) an ideal candidate to achieve this goal. Pioneering experiments on bulk polycrystalline and single crystal samples revealed a temperature dependent metal-insulator transition coupled to a long range magnetic order, and the transition temperature can be tuned by either A-site ionic radius or an external pressure. In this talk we present our efforts to understand and control the metal-insulator transition and the underlying electronic structure of pyrochlore iridates via epitaxial Bi2Ir2O7 thin films. Bulk Bi2Ir2O7 is located at the metallic side of the phase diagram. However as the film's thickness decreases the transport evolves from a metallic to a strongly localized character. Resonant X-ray spectroscopy suggests that the density of states near Fermi level is dominated by the Ir Je ff =1/2 states. Intriguingly, the magnetoresistance shows a linear field dependence over a wide range of fields at low temperatures, which is possibly consistent with the existence of Dirac nodes.

Atomic-scale bonding of bulk metallic glass to crystalline aluminum

NASA Astrophysics Data System (ADS)

Liu, K. X.; Liu, W. D.; Wang, J. T.; Yan, H. H.; Li, X. J.; Huang, Y. J.; Wei, X. S.; Shen, J.

2008-08-01

A Ti40Zr25Cu12Ni3Be20 bulk metallic glass (BMG) was welded to a crystalline aluminum by the parallel plate explosive welding method. Experimental evidence and numerical simulation show that atomic-scale bonding between the BMG and the crystalline aluminum can be achieved, and the weldment on the BMG side can retain its amorphous state without any indication of crystallization in the welding process. Nanoindentation tests reveal that the interface of the explosive joints exhibits a significant increase in hardness compared to the matrix on its two sides. The joining of BMG and crystalline materials opens a window to the applications of BMGs in engineering.

On Temperature Rise Within the Shear Bands in Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Bazlov, A. I.; Churyumov, A. Yu.; Buchet, M.; Louzguine-Luzgin, D. V.

2018-05-01

Room temperature deformation process in a bulk metallic glassy sample was studied by using a hydraulic thermomechanical simulator. The temperature rise during each separate shear band propagation event was measured with a high data acquisition frequency by a thermocouple welded to the sample. Calculation showed that when propagation of the well developed shear bands takes place along the entire sample the temperature inside the shear band should be close to the glass-transition temperature. It was also possible to resolve the temporal stress distribution and a double-stage character of stress drops was also observed. The obtained results are compared with the literature data obtained by infrared camera measurements and the results of finite elements modeling.

On Temperature Rise Within the Shear Bands in Bulk Metallic Glasses

NASA Astrophysics Data System (ADS)

Bazlov, A. I.; Churyumov, A. Yu.; Buchet, M.; Louzguine-Luzgin, D. V.

2018-03-01

Room temperature deformation process in a bulk metallic glassy sample was studied by using a hydraulic thermomechanical simulator. The temperature rise during each separate shear band propagation event was measured with a high data acquisition frequency by a thermocouple welded to the sample. Calculation showed that when propagation of the well developed shear bands takes place along the entire sample the temperature inside the shear band should be close to the glass-transition temperature. It was also possible to resolve the temporal stress distribution and a double-stage character of stress drops was also observed. The obtained results are compared with the literature data obtained by infrared camera measurements and the results of finite elements modeling.

Calculation of density of states of transition metals: From bulk sample to nanocluster

NASA Astrophysics Data System (ADS)

Krasavin, Andrey V.; Borisyuk, Petr V.; Vasiliev, Oleg S.; Zhumagulov, Yaroslav V.; Kashurnikov, Vladimir A.; Kurelchuk, Uliana N.; Lebedinskii, Yuriy Yu.

2018-03-01

A technique is presented of restoring the electronic density of states of the valence band from data of X-ray photoelectron spectroscopy (XPS). The originality of the technique consists in using a stochastic procedure to solve an integral equation relating the density of states and the experimental X-ray photoelectron spectra via the broadening function. To obtain the broadening function, only the XPS spectra of the core levels are needed. The results are presented for bulk sample of gold and tungsten and nanoclusters of tantalum; the possibility of using the results to determine the density of states of low-dimensional structures, including ensembles of metal nanoclusters, is demonstrated.

Castable Bulk Metallic Glass Strain Wave Gears: Towards Decreasing the Cost of High-Performance Robotics

PubMed Central

Hofmann, Douglas C.; Polit-Casillas, Raul; Roberts, Scott N.; Borgonia, John-Paul; Dillon, Robert P.; Hilgemann, Evan; Kolodziejska, Joanna; Montemayor, Lauren; Suh, Jong-ook; Hoff, Andrew; Carpenter, Kalind; Parness, Aaron; Johnson, William L.; Kennett, Andrew; Wilcox, Brian

2016-01-01

The use of bulk metallic glasses (BMGs) as the flexspline in strain wave gears (SWGs), also known as harmonic drives, is presented. SWGs are unique, ultra-precision gearboxes that function through the elastic flexing of a thin-walled cup, called a flexspline. The current research demonstrates that BMGs can be cast at extremely low cost relative to machining and can be implemented into SWGs as an alternative to steel. This approach may significantly reduce the cost of SWGs, enabling lower-cost robotics. The attractive properties of BMGs, such as hardness, elastic limit and yield strength, may also be suitable for extreme environment applications in spacecraft. PMID:27883054

Transient Mass and Thermal Transport during Methane Adsorption into the Metal-Organic Framework HKUST-1.

PubMed

Babaei, Hasan; McGaughey, Alan J H; Wilmer, Christopher E

2018-01-24

Methane adsorption into the metal-organic framework (MOF) HKUST-1 and the resulting heat generation and dissipation are investigated using molecular dynamics simulations. Transient simulations reveal that thermal transport in the MOF occurs two orders of magnitude faster than gas diffusion. A large thermal resistance at the MOF-gas interface (equivalent to 127 nm of bulk HKUST-1), however, prevents fast release of the generated heat. The mass transport resistance at the MOF-gas interface is equivalent to 1 nm of bulk HKUST-1 and does not present a bottleneck in the adsorption process. These results provide important insights into the application of MOFs for gas storage applications.

Measurement of mechanical properties of metallic glass at elevated temperature using sonic resonance method

NASA Astrophysics Data System (ADS)

Kaluvan, Suresh; Zhang, Haifeng; Mridha, Sanghita; Mukherjee, Sundeep

2017-04-01

Bulk metallic glasses are fully amorphous multi-component alloys with homogeneous and isotropic structure down to the atomic scale. Some attractive attributes of bulk metallic glasses include high strength and hardness as well as excellent corrosion and wear resistance. However, there are few reports and limited understanding of their mechanical properties at elevated temperatures. We used a nondestructive sonic resonance method to measure the Young's modulus and Shear modulus of a bulk metallic glass, Zr41.2Ti13.8Cu12.5Ni10Be22.5, at elevated temperatures. The measurement system was designed using a laser displacement sensor to detect the sonic vibration produced by a speaker on the specimen in high-temperature furnace. The OMICRON Bode-100 Vector Network Analyzer was used to sweep the frequency and its output was connected to the speaker which vibrated the material in its flexural mode and torsional modes. A Polytec OFV-505 laser vibrometer sensor was used to capture the vibration of the material at various frequencies. The flexural and torsional mode frequency shift due to the temperature variation was used to determine the Young's modulus and Shear modulus. The temperature range of measurement was from 50°C to 350°C. The Young's modulus was found to reduce from 100GPa to 94GPa for the 300°C temperature span. Similarly, the Shear modulus decreased from 38.5GPa at 50°C to 36GPa at 350°C.

Elephant Moraine 87521: The first lunar meteorite composed of predominantly mare material

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

Warren, P.H.; Kallemeyn, G.W.

1989-12-01

The trace-element chemistry and detailed petrography of brecciated Antarctic meteorite EET87521 reveal that it is not, as originally classified, a eucrite. Its Fe/Mn ratio and bulk Co content are fair higher than expected for a eucrite. Only one known type of extraterrestrial material resembles EET87521 in all important respects for which constraints exist: very-low-Ti (VLT) lunar mare basalts. Even compared to VLT basalts, EET87521 is enriched in REE. However, other varieties of high-alumina, low-Ti mare basalt are known that contain REE at even higher concentrations than EET87521. Several clasts in EET87521 preserve clear vestiges of coarse-grained igneous, possibly orthocumulate, textures.more » Mineralogically, these coarse-grained clasts are diverse; e.g., olivine ranges from Fo{sub 15} in one to Fo{sub 67} in another. One clast with an anomalously fine-grained texture is anorthositic and contains exceptionally Mg-rich pyroxene and Na-poor plagioclase, along with the only FeNi-metal in the thin section. Its FeNi-metals have compositions typical of metals incorporated into lunar soils and polymict breccias as debris from metal-rich meteorites. However, the low Ni and Ir contents of our bulk-rock analysis imply that the proportion of impact-projectile matter in our chip sample is probably small. The moderate degree of lithologic diversity among the lithic lasts and the bulk composition in general indicate that EET87521 is dominated by a single rock type: VLT mare basalt.« less

Plasmon enhanced power conversion efficiency in inverted bulk heterojunction organic solar cell

NASA Astrophysics Data System (ADS)

Mohan, Minu; Ramkumar, S.; Namboothiry, Manoj A. G.

2017-08-01

P3HT:PCBM is one of the most studied polymer-fullerene system. However the reported power conversion efficiency (PCE) values falls within the range of 4% to 5%. The thin film architecture in OPVs exhibits low PCE compared to inorganic photovoltaic cells. This is mainly due to the low exciton diffusion length that limits the active layer thickness which in turn reduces the absorption of incident light. Several strategies are adapted in order to increase the absorption in the active layer without increasing the film thickness. Inclusion of metal nanoparticles into the polymer layer of bulk heterojunction (BHJ) solar cells is one of the promising methods. Incorporation of metal nanostructures increases the absorption of organic materials due to the high electromagnetic field strength in the vicinity of the excited surface plasmons. In this work, we used 60 nm Au plasmonic structures to improve the efficiency of organic solar cell. The prepared metal nano structures were characterized through scanning electron microscopy (SEM), and UV-Visible spectroscopy techniques. These prepared metallic nanoparticles can be incorporated either into the electron transport layer (ETL) or into the active P3HT:PC71BM layer. The effect of incorporation of plasmonic gold (Au) nanoparticle in the inverted bulk heterojunction organic photovoltaic cells (OPVs) of P3HT:PC71BM fabricated in ambient air condition is in progress. Initial studies shows an 8.5% enhancement in the PCE with the incorporation of Au nanoparticles under AM1.5G light of intensity 1 Sun.

Optical and electronic properties of 2 H -Mo S2 under pressure: Revealing the spin-polarized nature of bulk electronic bands

NASA Astrophysics Data System (ADS)

Brotons-Gisbert, Mauro; Segura, Alfredo; Robles, Roberto; Canadell, Enric; Ordejón, Pablo; Sánchez-Royo, Juan F.

2018-05-01

Monolayers of transition-metal dichalcogenide semiconductors present spin-valley locked electronic bands, a property with applications in valleytronics and spintronics that is usually believed to be absent in their centrosymmetric (as the bilayer or bulk) counterparts. Here we show that bulk 2 H -Mo S2 hides a spin-polarized nature of states determining its direct band gap, with the spin sequence of valence and conduction bands expected for its single layer. This relevant finding is attained by investigating the behavior of the binding energy of A and B excitons under high pressure, by means of absorption measurements and density-functional-theory calculations. These results raise an unusual situation in which bright and dark exciton degeneracy is naturally broken in a centrosymmetric material. Additionally, the phonon-assisted scattering process of excitons has been studied by analyzing the pressure dependence of the linewidth of discrete excitons observed at the absorption coefficient edge of 2 H -Mo S2 . Also, the pressure dependence of the indirect optical transitions of bulk 2 H -Mo S2 has been analyzed by absorption measurements and density-functional-theory calculations. These results reflect a progressive closure of the indirect band gap as pressure increases, indicating that metallization of bulk Mo S2 may occur at pressures higher than 26 GPa.

Metal-nonmetal oscillations in doped blue phosphorene: a first-principles study

NASA Astrophysics Data System (ADS)

Li, Hui; Zhang, Liwei; Cai, Xiaolin; Li, Xiaohua; Wang, Baoji; Yu, Weiyang; Zhao, Ruiqi

2018-05-01

Based on density functional theory (DFT), we have systematically investigated the geometry structure and electronic properties of group IIIA, IVA, VA, and VIA atoms doped blue phosphorene, such as B‑, C‑, N‑, O‑, Al‑, Si- and S-doped blue phosphorene systems. We find that the electronic properties of blue phosphorene are drastically modified by the number of valence electrons in dopant atoms. An intriguing general rule of metal-nonmetal oscillations have been obtained that the dopant atoms from even group, such as IVA and VIA, lead to metal properties, while dopant atoms from odd group, such as IIIA and VA, give rise to semiconductor properties, which is different from traditional n or p doping effect in bulk case. This even–odd oscillating behavior is attributed to the peculiar bonding characteristics of blue phosphorene and the strong hybridization of sp orbitals between dopants and blue phosphorene. Then the underlying mechanism has been investigated with the electronic filling analysis. These results pave an intriguing way to tune the transport properties of electronic and photoelectronic devices based on blue phosphorene.

Synthesis and properties of transition-metal arsenide nanostructures: From superparamagnetism to superconductivity

NASA Astrophysics Data System (ADS)

Desai, Prachi

This dissertation study focuses on developing new protocols for synthesis of nanostructured transition-metal pnictides including superconducting LiFeAs and studying their structure- property relationship. Nanostructured materials are known to differ in properties compared to their bulk counterparts owing to enhanced surface area and increased packing efficiency in devices. Synthetic chemistry skills and nanofabrication techniques like wet chemistry, electrodeposition, solvothermal, hydrothermal and lithography, are extremely useful for creating nanostructures of these functional materials. This is a challenging task simply because maintaining the phase composition same as that of the bulk material along with achieving nanostructures (nanoparticles, nanowires, nanopillars etc.) simultaneously is not easy. Papers I and II showcase novel synthesis methods for E based pnictides [EPn where E = 1st row transition elements and Pn = P, As etc.]. The superparamagnetism of transition-metal pnictides (e.g. FeAs, CoAs) nanomaterials obtained by this method have interesting magnetic features like high blocking temperatures and inter-particle magnetic exchange. Paper III, shows the concept of generalized protocol of EAs synthesis and discusses the principles behind this method. This protocol has been tested for applicability to not only FeAs, but also MnAs, CoAs and CrAs systems. Generalization of this method along with the discovery of superparamagnetic behavior in FeAs is one of the key findings of this research work. Alongside, paper IV shows the formation of Co3O4 nanowires through solid-solid conversion route aided by sacrificial templates.

The role of long-range forces in the formation of thin liquid films on metals

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

Gyory, J.R.; Muller, R.H.

1987-06-01

White-light multiple beam interference is used to study the drainage of aqueous electrolytes from vertically optically smooth platinum and gold plates. Bulk liquid is in contact with the bottom of the metal plate. For short times following the lowering of the bulk liquid level, the change in the film profile agrees with that expected from viscous drainage. However, at long times, the film profile deviates from that expected and eventually becomes independent of time at a thickness between 0.08 and 0.25 micrometers. These profiles are best represented by a function dependent on the inverse cube root of height. The thicknessmore » of the equilibrium film profiles with increasing electrolyte concentration. A model based on long range van der Waals interactions resulting in a repulsive force between the interfaces of the film is shown to predict the correct profile shape, and for dilute electrolytes, the correct film thickness. This model also predicts increasing film thickness for increasing electrolyte concentration. The strength of this interaction is characterized by the Hamaker constant which can be calculated from the dielectric functions evaluated at imaginary frequencies of the film and substrate. For metals, this function is generated from spectral absorption data, limiting behavior for low and high frequencies, and by use of the Kramers-Kronig transformation. Hamaker constants calculated from the dielectric functions generated in this manner agree well with those derived from film profiles for dilute electrolytes.« less

Computer simulation of the matrix-inclusion interphase in bulk metallic glass based nanocomposites

NASA Astrophysics Data System (ADS)

Kokotin, V.; Hermann, H.; Eckert, J.

2011-10-01

Atomistic models for matrix-inclusion systems are generated. Analyses of the systems show that interphase layers of finite thickness appear interlinking the surface of the nanocrystalline inclusion and the embedding amorphous matrix. In a first approximation, the interphase is characterized as an amorphous structure with a density slightly reduced compared to that of the matrix. This result holds for both monatomic hard sphere systems and a Cu47.5Zr47.5Al5 alloy simulated by molecular dynamics (MD). The elastic shear and bulk modulus of the interphase are calculated by simulated deformation of the MD systems. Both moduli diminish with decreasing density but the shear modulus is more sensitive against density reduction by one order of magnitude. This result explains recent observations of shear band initiation at the amorphous-crystalline interface during plastic deformation.