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At least 937 records · Page 52

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DOE OSTI2020

Isoreticular Linker Substitution in Conductive Metal–Organic Frameworks with Through–Space Transport Pathways

The extension of reticular chemistry concepts to electrically conductive three-dimensional metal–organic frameworks (MOFs) has been challenging, particularly for cases in which strong interactions between electroactive linkers create the charge transport pathways. Here, we report the successful replacement of tetrathiafulvalene (TTF) with a nickel glyoximate core in a family of isostructural conductive MOFs with Mn 2+ , Zn 2+ , and Cd 2+ . Different coordination environments of the framework metals lead to variations in the linker stacking geometries and optical properties. Single-crystal conductivity data are consistent with charge transport along the linker stacking direction, with conductivity values only slightly lower than those reported for the analogous TTF materials. Lastly, these results serve as a case study demonstrating how reticular chemistry design principles can be extended to conductive frameworks with significant intermolecular contacts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Improved Solid-State Reaction Method for Scaled-Up Synthesis of Ceramic Proton-Conducting Electrolyte Materials

Protonic ceramic electrochemical cells (PCECs) represent promising technologies in the production of clean electricity, decarbonized hydrogen, chemicals, and fuels at intermediate temperatures. One of the challenges in commercializing PCECs is to produce the electrolyte materials on a large scale. The conventional solid-state reaction (SSR) method suffers from tedious synthesis procedures and low phase purity of the products due to the formation of unwanted secondary phases. Herein, we report an improved SSR (i-SSR) method for kilogram-scale production of high phase-purity electrolyte material BaZr 0.4 Ce 0.4 Y 0.1 Yb 0.1 O 3–δ (BZCYYb4411). In this method, the ball-milled precursor powders are pelletized prior to calcination, which effectively reduces the length of the diffusion paths between the components during perovskite phase formation. In this study, the synthesis procedure and calcination temperature are carefully optimized for efficient and repeatable production based on the powder crystallization behavior. A combined technoeconomic analysis and life cycle assessment modeling suggest that the i-SSR method could reduce the total production cost and greenhouse gas emissions by up to 19% and 39%, respectively, compared to the conventional SSR method. The high quality of the synthesized electrolyte material is corroborated by the excellent electrical conductivity and electrochemical performance of the fabricated PCEC cells.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Investigation of critical surface degradation effects on coatings and solar cells developed in Germany (S1002)

Various coatings developed in the FRG (i.e., second-surface mirrors with interference filters with and without conductive layers, conductive layers on solar-cell covers, and selective absorber coatings) have been qualified by accelerated tests under simulated space environment conditions. Experiments with coatings and solar cells have shown, however, that the thermo-optical behavior can differ considerably when performed on the ground and in space because of the great difficulty in simulating the space environment realistically. The objective of this experiment is to qualify these coatings under realistic space environment conditions. In addition, the experiment will provide design criteria, techniques, and test methods to insure control of the combined space and spacecraft environment effects, such as contamination, electrical conductance, and optical degradation, on the coatings. Data to be measured include the temperature of the samples, the electrical resistance of the conductive layers of the samples, the short circuit current of the solar-cell modules, and the deposition of contaminants on the samples (using quartz crystal microbalances (QCM's)).

Preuss, L.↗

DOE OSTI2020

Isoreticular Linker Substitution in Conductive Metal–Organic Frameworks with Through‐Space Transport Pathways

Abstract The extension of reticular chemistry concepts to electrically conductive three‐dimensional metal–organic frameworks (MOFs) has been challenging, particularly for cases in which strong interactions between electroactive linkers create the charge transport pathways. Here, we report the successful replacement of tetrathiafulvalene (TTF) with a nickel glyoximate core in a family of isostructural conductive MOFs with Mn 2+ , Zn 2+ , and Cd 2+ . Different coordination environments of the framework metals lead to variations in the linker stacking geometries and optical properties. Single‐crystal conductivity data are consistent with charge transport along the linker stacking direction, with conductivity values only slightly lower than those reported for the analogous TTF materials. These results serve as a case study demonstrating how reticular chemistry design principles can be extended to conductive frameworks with significant intermolecular contacts.

Xie, Lilia S.↗

NASA NTRS1972

Conductivity of a two-dimensional guiding center plasma.

The Kubo method is used to calculate the electrical conductivity of a two-dimensional, strongly magnetized plasma. The particles interact through (logarithmic) electrostatic potentials and move with their guiding center drift velocities (Taylor-McNamara model). The thermal equilibrium dc conductivity can be evaluated analytically, but the ac conductivity involves numerical solution of a differential equation. Both conductivities fall off as the inverse first power of the magnetic field strength.

Montgomery, D.↗

DOE OSTI2020

A fully implicit, scalable, conservative nonlinear relativistic Fokker–Planck 0D-2P solver for runaway electrons

Upon application of a sufficiently strong electric field, electrons break away from thermal equilibrium and approach relativistic speeds. These highly energetic ‘runaway’ electrons (~ MeV) play a significant role in tokamak disruption physics, and therefore their accurate understanding is essential to develop reliable mitigation strategies. As such, we have developed a fully implicit solver for the 0D-2P (i.e., including two momenta coordinates) relativistic nonlinear Fokker–Planck equation (rFP). As in earlier implicit rFP studies (NORSE, CQL3D), electron–ion interactions are modeled using the Lorentz operator, and synchrotron damping using the Abraham–Lorentz–Dirac reaction term. However, our implementation improves on these earlier studies by (1) ensuring exact conservation properties for electron collisions, (2) strictly preserving positivity, and (3) being scalable algorithmically and in parallel. Key to our proposed approach is an efficient multigrid preconditioner for the linearized rFP equation, a multigrid elliptic solver for the Braams–Karney potentials, and a novel adaptive technique to determine the associated boundary values. We verify the accuracy and efficiency of the proposed scheme with numerical results ranging from small electric-field electrical conductivity measurements to the accurate reproduction of runaway tail dynamics when strong electric fields are applied.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Stochastic generation of electrolyzer anode catalyst layers

Here, we introduce a stochastic methodology to reproduce the complex pore structure observed in commercial iridium catalyst layers. This method preserves the α pore (pores smaller than 250 nm) and β pore (pores greater than or equal to 250 nm) regions of the catalyst layer. The morphology of the generated materials was validated by comparing the pore size distributions of generated materials against those obtained from commercial materials imaged using x-ray nano computed tomography. We further demonstrate that the pore size distributions of the generated materials are statistically indistinguishable from the imaged catalyst layers, indicating that the stochastic methodology is capable of accurately reproducing catalyst layer morphology. Pore network modelling was conducted on the generated catalyst materials to simulate single-phase permeability, electrical conductivity, and ionic conductivity, and these properties were found to be within experimentally measured ranges for electrolyzer catalyst layers. Additionally, simulations were performed on the generated materials with varying ionomer and iridium catalyst loadings. As the ionomer loading is added, proton conductivity increases exponentially, which demonstrates the importance of optimizing ionomer loading, considering that these effects will be exacerbated in the hydration and temperature conditions of operating electrolyzers. The stochastic material generation method presented in this work is a powerful tool for the development of novel low loading catalyst layers, where the effect of various structural parameters on electrolyzer performance characteristics can be explored.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Application-driven synthesis and characterization of hexagonal boron nitride deposited on metals and carbon nanotubes

Hexagonal boron nitride (h-BN) is unique among two-dimensional materials, with a large band gap (~6 eV) and high in-plane thermal conductivity (>400 W m -1 K -1 ), second only to diamond among electrical insulators. Many studies to date have relied on exfoliated h-BN, however, for large-scale applications the material must be synthesized by methods such as chemical vapor deposition (CVD). Here, we first investigate single-layer h-BN synthesized by CVD on single crystal platinum (Pt), comparing these films with h-BN deposited on more commonly used polycrystalline Pt and Cu. The h-BN film grown on single crystal Pt has the lowest surface roughness and best spatial homogeneity, and our electrochemical transfer process allows the Pt to be reused with no measurable degradation. Additionally, we also demonstrate direct capping of carbon nanotubes (CNTs) with as-grown h-BN, but we find that the direct growth partly degrades the CNT electrical conductivity. On the other hand, we show that transferred monolayer h-BN can serve as an ultrathin barrier which protects MoS2 from damage at high temperatures and discuss other applications that take advantage of the conformal h-BN deposition.

2D materials↗

DOE OSTI2024

Experience with Noble Metals During HLW Vitrification at FZK, Germany (Rev. 0)

The noble metals ruthenium (Ru), rhodium (Rh), and palladium (Pd) are present to various extents in defense and commercial high-level nuclear waste streams. Usually, their concentrations are higher in commercial waste. Ru, Rh, and Pd are sparingly soluble in silicate glass melts and they therefore form separate metal, oxide, or other phases. These phases are generally denser than the glass melt and tend to sediment to the bottom of the melter, where they form a "sludge" layer. Since the sludge layer has a higher electrical conductivity than the molten glass, accumulation of sludge can ultimately lead to electrical disruption of the operation of the melter. In addition, the sludge reduces the melt volume, which also changes the operational characteristics of the melter.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Modeling the Behavior of Noble Metals During HLW Vitrification in the DM1200 Melter

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1973

Characterization of the mechanical and physical properties of TD-NiCr (Ni-20Cr-2ThO2) alloy sheet

Sheets of TD-NiCr processed using techniques developed to produce uniform material were tested to supply mechanical and physical property data. Two heats each of 0.025 and 0.051 cm thick sheet were tested. Mechanical properties evaluated included tensile, modulus of elasticity, Poisson's Ratio, compression, creep-rupture, creep strength, bearing strength, shear strength, sharp notch and fatigue strength. Test temperatures covered the range from ambient to 1589K. Physical properties were also studied as a function of temperature. The physical properties measured were thermal conductivity, linear thermal expansion, specific heat, total hemispherical emittance, thermal diffusivity, and electrical conductivity.

Fritz, L. J.↗

NASA NTRS1980

Improved fiber retention by the use of fillers in graphite fiber/resin matrix composites

A potential problem in the use of graphite fiber reinforced resin matrix composites is the dispersal of graphite fiber during accidental fires. Airborne electrically conductive fibers originating from burning composites could enter and cause shorting in electrical equipment located in surrounding areas. A variety of matrix fillers have been tested for their ability to prevent loss of fiber from graphite fiber/PMR polyimide and graphite fiber/epoxy composites in a fire. The fillers tested included powders of boron, boron carbide (B4C), lime glass, lead glass, and aluminum. Of these fillers, boron was the most effective and prevented any loss of graphite fiber during burning. Mechanical properties of composites containing boron filler were measured and compared to those of composite containing no filler.

Gluyas, R. E.↗

NASA NTRS1981

Electrical coupling between the lower atmosphere and the ionosphere

The evidence for interactions between the ionosphere and troposphere is reviewed as a first step in establishing the role of electrical coupling between two regions. Upward processes appear to include the transfer of energy through gravity waves, or through the transmittance of VLF radio waves induced by lightning. In each case, the excitation of the upper atmosphere by tropospheric sources can stimulate feedback processes returning to the troposphere. Downward coupling involves changes in the global and local electrical structure of the atmosphere, and is often induced by solar activity. These effects are more direct and may possibly bypass the stratosphere. The responses in the atmospheric circuit to local changes are nearly instantaneous, and therefore are looked on with promise for possible influences on weather systems. Emerging experimental evidence indicates that atmospheric electric fields, especially at high latitudes and in the upper atmosphere, are responsive to solar and geomagnetic phenomena. Corpuscular radiations are known to strongly enhance the local atmospheric electrical conductivity and ionizations at stratospheric and mesospheric altitudes. Theories postulate that the electric field perturbations regulated by solar activity may be responsibile for the observed statistical correlations between solar activity and thunderstorms.

Goldberg, R. A.↗

NASA NTRS1987

Large-scale electric fields in post-flare loops

As the electrical conductivity along the magnetic field in the solar atmosphere is large, parallel electric fields have been neglected in most investigations. The importance of such fields is demonstrated for post-flare loops, and a model for them is introduced which takes into account the effect of parallel electric fields. The electric field calculated from the model is consistent with the electric field observed by Foukal et al. (1983).

Hinata, Satoshi↗

NASA NTRS2008

Nanocomposites with high thermoelectric figures of merit

The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k.sub.BT, wherein k.sub.B is the Boltzman constant and T is an average temperature of said nanocomposite composition.

Chen, Gang↗

NASA NTRS2012

Nanocomposites with high thermoelectric figures of merit

Chen, Gang↗

NASA NTRS2015

Nanocomposites with High Thermoelectric Figures of Merit

The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k(sub B)T, wherein k(sub B) is the Boltzman constant and T is an average temperature of said nanocomposite composition.

Chen, Gang↗

NASA NTRS2019

Coilgun Acceleration Model Containing Multiple Interacting Coils

A coilgun operates by pulsing current through an axially-arranged series of independently-controlled coils inductively interacting with a small, electrically-conductive, azimuthally-symmetric projectile to accelerate it to high velocities. The electrical circuits are programmed to pulse current through the coils in such a way so as to impart further electromagnetic acceleration in each stage. A method is developed to calculate the mutual inductance between the coils and between each coil and the projectile. These terms are used to write a system of first-order ordinary differential equations governing the projectile velocity and the current flow in each coil. While the inclusion of the electromagnetic interactions between coils significantly complicates the equation set as more coil sets are included in the problem, casting the problem symbolically in mass matrix form permits solution using standard numerical Runge-Kutta techniques. Comparing a projectile with a single-turn to that comprised of nine-turns, the inductance of the former is much smaller, but this leads to a greater induced projectile current. The lower inductance and greater current appear to offset each other with little difference in the acceleration profile for the two cases. For the limited cases studied, coils with a discharge half-cycle equal to the time for a projectile to transit from one coil to the next yield increased efficiency.

Polzin, Kurt A.↗