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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5

Time-Dependent Corrosion Behavior of Aluminum Using Advanced Electrochemical and Characterization Techniques

The time-dependent corrosion behavior of pure aluminum (Al) in a chloride-containing environment was investigated using various electrochemical and characterization techniques for up to 336 h. Transmission electron microscopic and secondary ion mass spectroscopic analysis revealed the continuous dissolution of the surface film over the immersion time. In the meantime, the increasing passive oxide thickness resulted in the surface film resistance enhancement over the immersion time, as indicated by the electrochemical impedance spectroscopic analysis. The electrochemical noise measurements showed an increase in the corrosion kinetics with immersion time until 60 h because of the accelerated localized corrosion in the early stage of immersion. However, an inhibition in corrosion kinetics occurred after longer immersion times due to corrosion product deposition inside the pit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exhaust plume impingement of chemically reacting gas-particle flows

A series of computer codes has been developed to predict gas-particle flows and resulting impingement forces, moments and heating rates to surfaces immersed in the flow. The gas-particle flow solution is coupled via heat transfer and drag between the phases with chemical effects included in the gas phase. The flow solution and impingement calculations are discussed. Analytical results are compared with test data obtained to evaluate gas-particle effects on the Space Shuttle thermal protection system during the staging maneuver.

Smith, S. D.↗

Fractionation of mineral species by electrophoresis

The fractionation of fine-grained aggregates into their major components is a problem in many scientific areas including earth and planetary science. Electrophoresis, the transport of electrically charged particles, immersed in a suspension medium, by a direct current field (Bier, 1959), was employed in this study as a means of separating simulated lunar soil into its constituent minerals. In these tests, conducted in a static analytical cylindrical microelectrophoresis apparatus, samples of simulated lunar soil and samples of pure mineral constituents were placed in the chamber; the electrophoretic mobilities of the lunar soil and the individual mineral constituents were measured. In most of the suspension buffers employed separability was indicated, on the basis of differences in mobility, for all the constituent mineral species except ilmenite and pyroxene, which were not efficiently separable in any of the buffers. Although only a few suspension media were employed, the success of this initial study suggests that electrophoresis may be an important mineral fractionation option in fine-grained aggregate processing.

Dunning, J. D.↗

Visual HPC Workflows for the Analysis of System Dynamics Models

Visual analytics supported by high performance computing (HPC) accelerates and enhances the discovery, exploration, and analysis of causal patterns in complex system dynamics (SD) models. We present a suite of visualization-assisted ensemble-based techniques for hypothesis generation and testing, and for sensitivity analysis. By employing HPC to provide parallel, on-demand simulation of SD models, one can “steer” an ensemble of simulated scenarios in real time as one first formulates and then informally tests those hypotheses: this provides rapid feedback for analysts to refine their understanding of the causal relationships emergent from a model. Such understandings can be followed and augmented by rigorous application of statistical methods, namely global variance-based sensitivity analysis, Monte-Carlo filtering, adaptive regional sensitivity analysis, and self-organized maps: here timely computation relies on HPC, while effective presentation emphasizes high-dimensional multivariate data visualization. Immersive visualization in virtual 3D environments provides an excellent adjunct to the traditional 2D graphics typically used for SD models, as it generates an embodied understanding of model behavior and facilitates an active, collaborative critique of model structure and output. Finally, we summarize prospects for HPC-enabled visual analytics applied to SD modeling.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

On the force exerted on a non-spherical asymmetric dust grain from homogeneous, stationary, isotropic, non-magnetized plasma

Whereas the conventional wisdom suggests that the force between non-magnetized homogeneous, stationary, isotropic plasma, and the dust grain is only possible for the case of relative plasma–grain velocity, it is shown that stationary non-spherical asymmetric dust grain immersed in stationary, non-magnetized, isotropic plasma can experience a force caused by the grain–plasma interactions. The component of the force due to scattering of plasma particles in the limit of infinite Debye length is considered analytically. Both the particle scattering and absorption force components are modeled numerically in the limits of infinite and finite Debye length using a newly developed 2D3V Aspherical Particle-in-Cell code. The code simulates interactions of dust grain of selected non-spherical asymmetric shape with plasmas using dust shape conforming coordinates. Here, the simulations confirm the existence of the force on non-spherical asymmetric grain in stationary non-magnetized plasma and show that the plasma screening effects can lead to reversal of the force direction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Calorimetric Study of Alkali Metal Ion (K + , Na + , Li + ) Exchange in a Clay-Like MXene

Intercalation of ions in layered materials has been explored to improve the rate capability in Li-ion batteries and supercapacitors. This work investigates the energetics of alkali ion exchange in a clay-like MXene, Ti 3 C 2 T x , where T x stands for anionic surface moieties, by immersion calorimetry in aqueous solutions. The measured immersion enthalpies of clay-like Ti 3 C 2 T x , ΔH imm , at 25 °C in 1 M KCl, 1 M NaCl, 1 M LiCl, and nanopure water are -9.19 (±0.56), -5.90 (±0.31), -1.31 (±0.20), and -1.29 (±0.13) kJ/mol of MXene, respectively. Inductively coupled plasma mass spectrometry is used to obtain the concentrations of alkali ions in the solid and aqueous phases. Using these concentrations, the enthalpies of exchange of alkali metal ions (Li+, Na+, and K+) are calculated; ΔHex in 1 M KCl, 1 M NaCl, 1 M LiCl, and nanopure water are -9.3 (±2.2), 21.0 (±0.9), -1.3 (±0.2), and 302.4 (±0.6) kJ/mol of MXene, respectively. Both immersion and exchange enthalpies are most exothermic for potassium. This suggests that K+ ions interact more strongly with anions present in the interlayers of this MXene than Na + and Li + ions. Water vapor adsorption calorimetry indicates very weak interaction of water with the MXene, while immersion calorimetry suggests a weakly hydrophilic nature of the MXene surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct Measurement of Water Permeation in Submerged Alkyl Thiol Self-Assembled Monolayers on Gold Surfaces Revealed by Neutron Reflectometry

Self-assembled monolayers (SAMs) of alkyl thiols are frequently used to chemically functionalize gold surfaces for applications throughout materials chemistry, electrochemistry, and biotechnology. Despite this, a detailed understanding of the structure of the SAM–water interface generated from both formation and use of the SAM in an aqueous environment is elusive, and analytical measurements of the structure and chemistry of the SAM–water interface are an ongoing experimental challenge. To address this, we used neutron reflectometry (NR) to measure water association with both hydrophobic and hydrophilic SAMs under both wet and dry conditions. SAMs used for this study were made from hydrophobic decanethiol mixed with hydrophilic 11-azido-1-undecanethiol with compositions of 0–100% of the azide-terminated thiol. All SAMs were formed by conventional solution incubation of a Au substrate immersed in ethanol. Each SAM was characterized by grazing incidence angle reflection–absorption Fourier transfer infrared spectroscopy, contact angle goniometry, and electrochemical methods to confirm it was a completely formed monolayer with evidence of extensive crystalline-like domains. NR measured significant absorption of water into each SAM, ranging from 1.6 to 5.7 water molecules per alkyl thiol, when SAMs were immersed in water. Water infiltration was independent of SAM composition and terminal group hydrophilicity. Furthermore these results demonstrate that water accesses defects, fluid regions, and heterogeneous domains inherent to even well-formed SAMs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Creep-resistant, cobalt-free alloys for high temperature, liquid-salt heat exchanger systems

An essentially Fe- and Co-free alloy is composed essentially of, in terms of weight percent: 6.0 to 7.5 Cr, 0 to 0.15 Al, 0.5 to 0.85 Mn, 11 to 19.5 Mo, 0.03 to 4.5 Ta, 0.01 to 9 W, 0.03 to 0.08 C, 0 to 1 Re, 0 to 1 Ru, 0 to 0.001 B, 0.0005 to 0.005 N, balance Ni, the alloy being characterized by, at 850.degree. C., a yield strength of at least 25 Ksi, a tensile strength of at least 38 Ksi, a creep rupture life at 12 Ksi of at least 25 hours, and a corrosion rate, expressed in weight loss [g/(cm.sup.2 sec)]10.sup.-11 during a 1000 hour immersion in liquid FLiNaK at 850.degree. C., in the range of 3 to 10.

36 MATERIALS SCIENCE↗

Creep-resistant, cobalt-containing alloys for high temperature, liquid-salt heat exchanger systems

An essentially Fe-free alloy consists essentially of, in terms of weight percent: 4 to 11 Co, 6.5 to 7.5 Cr, 0 to 0.15 Al, 0.5 to 0.85 Mn, 11 to 20 Mo, 1 to 3.5 Ta, 0.05 to 9 W, 0.03 to 0.08 C, 0 to 0.001 B, 0.0005 to 0.005 N, balance Ni, the alloy being characterized by, at 850.degree. C., a yield strength of at least 25 Ksi, a tensile strength of at least 45 Ksi, a creep rupture life at 12 Ksi of at least 10 hours, and a corrosion rate, expressed in weight loss [g/(cm.sup.2sec)]10.sup.-11 during a 1000 hour immersion in liquid FLiNaK at 850.degree. C., in the range of 5 to 20.

36 MATERIALS SCIENCE↗

Role of long-wavelength degrees of freedom in the rod-to-coil transition in polymers

An analytical model is fitted to experimental data to show that rod-to-coil (RTC) transformations in single strand polymers (SSPs) are close to true phase transitions. The RTC are known to occur when the temperature or pH of a solvent in which the SSP is immersed is varied abruptly. Long wavelength degrees of freedom in the SSPs induce long range interactions in the molecule which lead to a first order phase transition. The Landau formalism suggests that a long-range ordered state can appear at a low temperature. A microscopic model of the phonon degrees of freedom identifies the nonzero temperature threshold at which the phase transition will occur. The phenomenology described is similar to a previous model for transitions in double-strand polymers.

Goldenfeld, N.↗

Electrostatic charge on a dust size distribution in a plasma

The capacitance of a grain immersed in a steady state plasma containing a size distribution of dust particles is studied. The grain charge is determined by assuming the equilibrium potential has been obtained by a simple balance of electron and ion collection currents. It is shown that the validity of the analytical treatment given here for the linearized Poisson equation is confined to a certain region of space. Within this region and starting at very small plasma Debye length lambda(D), the capacitance at first exhibits a monotonic increase with increasing lambda(D). The capacitance eventually reaches a maximum, followed by a monotonic decrease. The charge density of the dust in the plasma is found to be only a function of the lambda(D); there is no significant dependence on the interparticle spacing.

Houpis, Harry L. F.↗

Analysis of photonic band gap in dispersive properties of tunable three-dimensional photonic crystals doped by magnetized plasma

In this paper, the magnetooptical effects in dispersive properties for two types of three-dimensional magnetized plasma photonic crystals (MPPCs) containing homogeneous dielectric and magnetized plasma with diamond lattices are theoretically investigated for electromagnetic (EM) wave based on plane wave expansion (PWE) method, as incidence EM wave vector is parallel to the external magnetic field. The equations for two types of MPPCs with diamond lattices (dielectric spheres immersed in magnetized plasma background or vice versa) are theoretically deduced. The influences of dielectric constant, plasma collision frequency, filling factor, the external magnetic field, and plasma frequency on the dispersive properties for both types of structures are studied in detail, respectively, and some corresponding physical explanations are also given. From the numerical results, it has been shown that the photonic band gaps (PBGs) for both types of MPPCs can be manipulated by plasma frequency, filling factor, the external magnetic field, and the relative dielectric constant of dielectric, respectively. Especially, the external magnetic field can enlarge the PBG for type-2 structure (plasma spheres immersed in dielectric background). However, the plasma collision frequency has no effect on the dispersive properties of two types of three-dimensional MPPCs. The locations of flatbands regions for both types of structures cannot be tuned by any parameters except for plasma frequency and the external magnetic field. The analytical results may be informative and of technical use to design the MPPCs devices.

36 MATERIALS SCIENCE↗

Close-Out Project Description for Koepke's Dept of Energy grant DE-SC0021405

Objectives: To establish, for lab & space conditions, EM-IEDDI’s (electromagnetic shear-driven instability's) dispersion relation, unstable range, instability threshold, and mode characteristics, we need LAPD’s Alfven-wave-favorable electromagnetic-style conditions, including higher "beta" (0.001 < beta ≤ 0.3) and low-collisionality. Also, we attempted to intentionally launch or spontaneously destabilize compressional and shear Alfven waves in the strong, localized, perpendicular-velocity-shear region at the interface between coaxial plasmas (one plasma cylinder inside an outer, otherwise hollow, tube, each having a different, controllable, value of plasma electrostatic potential, i.e., “space” potential (not to be confused with the temperature-dependent “floating” potential of an object immersed in the plasma). Nonlinear wave-wave interactions between same-family (EM-IEDD or Alfven) and cross-family (EM-IEDD-with-Alfven) fluctuations were targeted for documentation over a range of spectral overlap. Although laboratory experiments were conducted, the following theoretical work was left unfinished: Analytical non-modal prediction Computational non-modal prediction Check to see if Mikhailenko’s theory formulation leads to his published graphs

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Aerodynamic investigation by infrared imaging

Infrared imaging systems can be used to measure temperatures of actively heated bodies immersed in an airstream. This monitoring of the convective heat transfer process, provides also information about the interaction between the body and the flow. The concept appeals to Nusselt/Reynolds numbers relations in order to produce data of interest from surface temperatures. Two test cases are presented and reference is made to analytical results: the mapping of a laminar jet and the temperature distribution along a constant power heated flat plate in laminar boundary layer regime. Although this research is currently focused on low speed aerodynamics, the extension to high speed aerodynamics, where the body undergoes frictional heating is of interest in this context, too.

Roberts, A. Sidney, Jr.↗

Updates to the Spatial Analysis and Decision Assistance (SADA) Freeware Tool - 16583

SADA is a collaboration between the University of Tennessee and Oak Ridge National Laboratory to present a freeware desktop application integrating environmental risk analytics, spatial modeling, and decision sciences for use at EPA, NRC, DOE, and DoD contaminated sites. The software embeds risk assessment, uncertainty modeling, and downstream decision processes within a spatial context. Updates to Version 6 will provide will include a rich GIS environment and a new 3-D visualization model which permits immersive visualization of contamination, with topology, and the built environment. The risk models presented are developed in conjunction with Superfund to implement all scenarios in their Regional Screening Levels (RSLs) and radionuclide preliminary remediation goals (PRGs). In addition, SADA will be able to ingest high resolution LandScan population data providing insights into the proximity of population to contamination. A brief overview of the progress in provided along with anticipated next steps. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Covalent organic frameworks (COFs)-incorporated thin film nanocomposite (TFN) membranes for high-flux organic solvent nanofiltration (OSN)

This paper reports a new class of thin film nanocomposite (TFN) membranes incorporated with covalent organic frameworks (COFs) nanoparticles in the polyamide skin layer and having enhanced solvent (ethanol) permeation flux and high solute rejection for organic solvent nanofiltration (OSN). These OSN membranes were prepared via interfacial polymerization of m-phenylenediamine (MPD) and trimesoyl chloride with the presence of COFs nanoparticles in the MPD aqueous solution, followed by chemical crosslinking and solvent activation. The prepared TFN membranes exhibited an improved surface hydrophilicity and a decreased skin layer thickness, which leading to a 46.7% increment in the ethanol permeance (up to 79.8 L m –2 h –1 MPa –1 ) compared to those COFs-free membranes, as well as an increased Rhodamine B (479 Da) rejection (up to 99.4%). Moreover, our prepared TFN OSN membranes exhibited an excellent solvent resistance after being statically immersed in N, N-dimethylformamide (DMF) at ambient temperature over 100 days, and after being consecutively cross-flow filtrated using Rose Bengal/DMF solution at ambient temperature over 7 days, both with no significant changes in the separation performance. Moreover, they showed only minor decrease in flux and rejection after being statically immersed in DMF at 80 °C over 14 days, which provides a strong potential in OSN applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding the breathing phenomena in nano-ZIF-7 upon gas adsorption

For this research, synchrotron X-ray diffraction and inelastic neutron scattering measurements have been applied to evaluate the breathing phenomena in small nanocrystals of ZIF-7 upon gas adsorption. The experimental results show that an extended solvent exchange process with methanol is crucial to get a solvent-free narrow pore structure. Under these conditions, nano-ZIF-7 is indeed able to adsorb N 2 with a total BET surface area of around 380 m 2 g -1 , in close agreement with theoretical predictions. The breathing phenomenon upon nitrogen adsorption is accompanied by a phase-to-phase transition, from a narrow-pore (phase II) to a large-pore (phase I) structure and a suppression of the cooperative deformation of the framework involving mainly the flapping motion of the benzimidazolate (bIm) ligand with the 4- and 6-membered rings. Whereas nitrogen requires temperature and pressure conditions close to condensation (close to 1 bar and 77 K) to induce the breathing in ZIF-7, CO 2 can do it under milder conditions (at room temperature and low relative pressures). These results reflect that the nature of the adsorptive probe and the gas–framework interactions, rather than the molecular diameter and/or shape, play a crucial role in defining the pressure and temperature conditions required to induce the breathing. Lastly, the presence of two different cavities in ZIF-7 as suggested by theoretical predictions, one with a window diameter of below 0.4 nm (cavity A) and the other with a pore size of around 0.6 nm (cavity B), has been confirmed experimentally using immersion calorimetry.

36 MATERIALS SCIENCE↗

Graphene Microcapsule Arrays for Combinatorial Electron Microscopy and Spectroscopy in Liquids

Atomic-scale thickness, molecular impermeability, low atomic number, and mechanical strength make graphene an ideal electron-transparent membrane for material characterization in liquids and gases with scanning electron microscopy and spectroscopy. Here in this paper, we present a novel sample platform made of an array of thousands of identical isolated graphene-capped microchannels with high aspect ratio. A combination of a global wide field of view with high resolution local imaging of the array allows for high throughput in situ studies as well as for combinatorial screening of solutions, liquid interfaces, and immersed samples. We demonstrate the capabilities of this platform by studying a pure water sample in comparison with alkali halide solutions, a model electrochemical plating process, and beam-induced crystal growth in liquid electrolyte. Spectroscopic characterization of liquid interfaces and immersed objects with Auger and X-ray fluorescence analysis through the graphene membrane are also demonstrated.

36 MATERIALS SCIENCE↗