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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 109 records · Page 6

Ionic/electronic conductivity regulation of n-type polyoxadiazole lithium sulfonate conductive polymer binders for high-performance silicon microparticle anodes

Low-cost silicon microparticles (SiMP), as a substitute for nanostructured silicon, easily suffer from cracks and fractured during the electrochemical cycle. A novel n-type conductive polymer binder with excellent electronic and ionic conductivities as well as good adhesion, has been successfully designed and applied for high-performance SiMP anodes in lithium-ion batteries to address this problem. Its unique features are attributed to the strong electron-withdrawing oxadiazole ring structure with sulfonate polar groups. The combination of rigid and flexible components in the polymer ensures its good mechanical strength and ductility, which is beneficial to suppress the expansion and contraction of SiMP s during the charge/discharge process. By fine-tuning the monomer ratio, the conjugation and sulfonation degrees of the polymer can be precisely controlled to regulate its ionic and electronic conductivities, which has been systematically analyzed with the help of an electrochemical test method, filling in the gap on the conductivity measurement of the polymer in the doping state. The experimental results indicate that the cell with the developed n-type polymer binder and SiMP (~0.5 μm) anodes achieves much better cycling performance than traditional non-conductive binders. It has been considered that the initial capacity of the SiMP anode is controlled by the synergetic effect of ionic and electronic conductivity of the binder, and the capacity retention mainly depends on its electronic conductivity when the ionic conductivity is sufficient. Here, it is worth noting that the fundamental research of this work is also applicable to other battery systems using conductive polymers in order to achieve high energy density, broadening their practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Higher Hall conductivity from a single wave function: Obstructions to symmetry-preserving gapped edge of (2+1)-dimensional topological order

A (2+1)D topologically ordered phase with U(1) symmetry may or may not have a symmetric gapped edge state, even if both thermal and electric Hall conductivity are vanishing. It has recently been discovered that there are “higher” versions of Hall conductivity valid for fermionic fractional quantum Hall (FQH) states that obstruct symmetry-preserving gapped edge states beyond thermal and electric Hall conductivity. In this paper, we show that one can extract higher Hall conductivity from a single wave function of an FQH state, by evaluating the expectation value of the “partial rotation” unitary, which is a combination of partial spatial rotation and a U(1) phase rotation. This result is verified numerically with the fermionic Laughlin state with 𝜈=1/3 and 1/5, as well as the non-Abelian Moore-Read state. Together with topological entanglement entropy, we prove that the expectation values of the partial rotation completely determine if a bosonic/fermionic Abelian topological order with U(1) symmetry has a symmetry-preserving gappable edge state or not. We also show that thermal and electric Hall conductivity of Abelian topological order can be extracted by partial rotations. Even in non-Abelian FQH states, partial rotation provides the Lieb-Schultz-Mattis type theorem constraining the low-energy spectrum of the bulk-boundary system. The generalization of higher Hall conductivity to the case with Lie group symmetry is also presented.

2-dimensional systems↗

Influence of liquid conductance on the temporal evolution of self-organization patterns in atmospheric pressure DC glow discharges

Abstract Self-Organized Patterns (SOPs) at plasma-liquid interface in atmospheric pressure plasma discharges refer to the formation of intricate and puzzling structures due to the interplay of electrodynamic and hydrodynamic processes. Studies conducted to date have shown that this phenomenon results in the formation of distinctive patterns such as circular ring, star, gear, dots, spikes, etc., and primarily depends on working gas, electrolyte type, gap distance, current, conductivity, etc. However, an adequate understanding of how these patterns change from one type to another is still not available. This study aims to elucidate the influence of initial liquid conductance ( σ i ) on the temporal evolution of SOPs in liquid-anode discharges. The discharge was generated in a pin-to-liquid anode configuration at a constant helium (He) flow rate of 500 sccm and DC applied voltage of 6 kV at a gap distance of 12 mm. Through the gradual increment of σ i from 1.8 μ S to 4820 μ S, we observe that the trend in the evolution of SOPS takes place as solid discs, spikes, dots, rings, double rings, and stars. The continuous formation of reactive species onto the liquid anode in all conductive solutions results in a decrease in pH, an increase in bulk liquid temperature, and an increase in total dissolved solutes, and these have been confirmed through experimental measurements. Observations using optical emission spectroscopy show that the electrons at the plasma-liquid interface participate in the reduction of cations followed by their excitation & ionization due to which electron density as well as emissions from excited species (mainly hydroxyl radicals & excited nitrogen) decrease with time. Our investigation provides experimental evidence on the presence of cations at the plasma-liquid interface required for SOP formation.

Physics↗

Pressure effect on band inversion in AE Cd 2 As 2 ( AE =Ca, Sr, Ba)

Recent studies have predicted that magnetic EuCd 2 As 2 can host several different topological states depending on its magnetic order, including a single pair of Weyl points. Here we report on the bulk properties and band inversion induced by pressure in the nonmagnetic analogs AECd 2 As 2 (AE = Ca, Sr, Ba) as studied with density functional theory calculations. Under ambient pressure we find that these compounds are narrow band gap semiconductors, in agreement with experiment. In this work, the size of the band gap is dictated by both the increasing ionicity across the AE series which tends to increase the band gap, as well as the larger nearest neighbor Cd-As distance from increasing atomic size which can decrease the band gap because the conduction band edge is an antibonding state derived mostly from Cd 5s orbitals. The combination of these two competing effects results in a nonmonotonic change of the band gap size across the AE series with SrCd 2 As 2 having the smallest band gap among the three compounds. The application of negative pressure reduces this band gap and causes the band inversion between the Cd 5s and As 4p orbitals along the Γ-A direction to induce a pair of Dirac points. The topological nature of the Dirac points is then confirmed by finding the closed Fermi arcs on the ($10\bar{1}0$) surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Optical conductivity and vibrational spectra of the narrow-gap semiconductor FeGa 3

Intermetallic narrow-gap semiconductors have been intensively explored due to their large thermoelectric power at low temperatures and a possible role of strong electronic correlations in their unusual thermodynamic and transport properties. Here we study the optical spectra and vibrational properties of FeGa 3 . The optical conductivity indicates that FeGa 3 has a direct band gap of ≈ 0.7 eV, consistent with density functional theory (DFT) calculations. Most importantly, we find a substantial spectral weight also below 0.4 eV, which is the energy of the indirect (charge) gap found in resistivity measurements and ab initio calculations. We find that the spectral weight below the gap decreases with increasing temperature, which indicates that it originates from the impurity states and not from the electronic correlations. Interestingly, we did not find any signatures of the impurity states in vibrational spectra. The infrared and Raman vibrational lines are narrow and weakly temperature dependent. The vibrational frequencies are in excellent agreement with our DFT calculations, implying a modest role of electronic correlations. Narrow Mössbauer spectral lines also indicate high crystallinity of the sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electrical signal transmission and gap junction regulation in a bone cell network: a cable model for an osteon

A cable model is formulated to estimate the spatial distribution of intracellular electric potential and current, from the cement line to the lumen of an osteon, as the frequency of the loading and the conductance of the gap junction are altered. The model predicts that the characteristic diffusion time for the spread of current along the membrane of the osteocytic processes, 0.03 sec, is nearly the same as the predicted pore pressure relaxation time in Zeng et al. (Annals of Biomedical Engineering. 1994) for the draining of the bone fluid into the osteonal canal. This approximate equality of characteristic times causes the cable to behave as a high-pass, low-pass filter cascade with a maximum in the spectral response for the intracellular potential at approximately 30 Hz. This behavior could be related to the experiments of Rubin and McLeod (Osteoporosis, Academic Press, 1996) which show that live bone appears to be selectively responsive to mechanical loading in a specific frequency range (15-30 Hz) for several species.

NASA Discipline Musculoskeletal↗

Digging for Fossils in the Hertzsprung Gap

Objective was to conduct deep (approx. 250 ks) pointings on two EUV sources, the early-F giant beta Cas and the mid-G giant mu Velorum; to obtain spectra in the range 70-300 A and to record Deep Survey light curves over the extensive duration of each observation. We have analyzed the DS lightcurve and the SW spectrum, breaking the latter lip into time slices corresponding to key phases of the observation: pre-flare, flare rise, and two segments of the flare decay.

Ayres, Thomas R.↗

Assessment of the Performance of Hydrofluoroolefins, Hydrochlorofluoroolefins, and Halogen-Free Foam Blowing Agents in Cellular Plastic Foams

Oak Ridge National Laboratory has conducted a literature search to identify relevant information available on alternative materials and technologies that are proposed for foam blowing agents applications. For comparison, similar information was collected for available hydrofluorocarbons (HFC), hydrofluoroolefin (HFO), and hydrochlorofluoroolefins (HCFO) materials. The publicly available literature was analyzed and assessed for technical accuracy for each alternative, and a gap analysis was conducted to understand if additional studies are required to fully assess the viability of an alternative. In assessing these alternatives, this project focused on relevant performance and safety attributes. The performance attributes collected include insulation value per unit thickness, which impacts energy usage of buildings and insulated equipment such as refrigerators. We also assessed the impact of blowing agents on foam mechanical properties and flammability characteristics, and the ability of current processing equipment and techniques to utilize these alternatives. Diffusion of blowing agents through foam cells and its impact on foam aging was also examined. The applications covered in this study are spray foam, boardstock, panels, and appliances. Some of the most relevant findings are summarized below.

36 MATERIALS SCIENCE↗

Measuring Gap Fraction, Element Clumping Index and LAI in Sierra Forest Stands Using a Full-Waveform Ground-Based Lidar

The Echidna Validation Instrument (EVI), a ground-based, near-infrared (1064 nm) scanning lidar, provides gap fraction measurements, element clumping index measurements, effective leaf area index (LAIe) and leaf area index (LAI) measurements that are statistically similar to those from hemispherical photos. In this research, a new method integrating the range dimension is presented for retrieving element clumping index using a unique series of images of gap probability (Pgap) with range from EVI. From these images, we identified connected gap components and found the approximate physical, rather than angular, size of connected gap component. We conducted trials at 30 plots within six conifer stands of varying height and stocking densities in the Sierra National Forest, CA, in August 2008. The element clumping index measurements retrieved from EVI Pgap image series for the hinge angle region are highly consistent (R2=0.866) with those of hemispherical photos. Furthermore, the information contained in connected gap component size profiles does account for the difference between our method and gap-size distribution theory based method, suggesting a new perspective to measure element clumping index with EVI Pgap image series and also a potential advantage of three dimensional Lidar data for element clumping index retrieval. Therefore further exploration is required for better characterization of clumped condition from EVI Pgap image series.

Zhao, Feng↗

Robust and Highly Conductive Water-Stable Copper Iodide-Based Hybrid Single Crystals

High conductivity, carrier mobility as well as long diffusion length are critical for highly efficient solar cells. Here, we report new types of crystalline inorganic-organic hybrid semiconductors, 2D-Cu 2 I 2 (L) [L = benzo[c][1,2,5]thiadiazole (bs) and benzo[c][1,2,5] selenadiazole (bse)], composed of one-dimensional (1D) copper iodide staircase-like chain and benzodiazole-based ligands. These compounds possess narrow and tunable band gaps and high conductivity. High-quality large single crystals of 2D-Cu 2 I 2 (bse) were grown and used to evaluate the charge transport properties of the material. State-of-the-art time-resolved microwave conductivity (TRMC) techniques were used to investigate the charge carrier dynamics, from which a high conductivity of 2 × 10 -4 S/cm, a carrier mobility of ~1 cm 2 V -1 s -1 , a maximum doping/carrier density of 2 +/- 1 × 10 15 cm -3 , and a diffusion length of ~0.17 um were obtained. We report the excellent water/chemical stability combined with high conductivity makes this I-VII-based hybrid material family promising candidates for potential optoelectronic applications.

36 MATERIALS SCIENCE↗

Critical Team Composition Issues for Long-Distance and Long-Duration Space Exploration: A Literature Review, an Operational Assessment, and Recommendations for Practice and Research

Prevailing team effectiveness models suggest that teams are best positioned for success when certain enabling conditions are in place (Hackman, 1987; Hackman, 2012; Mathieu, Maynard, Rapp, & Gilson, 2008; Wageman, Hackman, & Lehman, 2005). Team composition, or the configuration of member attributes, is an enabling structure key to fostering competent teamwork (Hackman, 2002; Wageman et al., 2005). A vast body of research supports the importance of team composition in team design (Bell, 2007). For example, team composition is empirically linked to outcomes such as cooperation (Eby & Dobbins, 1997), social integration (Harrison, Price, Gavin, & Florey, 2002), shared cognition (Fisher, Bell, Dierdorff, & Belohlav, 2012), information sharing (Randall, Resick, & DeChurch, 2011), adaptability (LePine, 2005), and team performance (e.g., Bell, 2007). As such, NASA has identified team composition as a potentially powerful means for mitigating the risk of performance decrements due to inadequate crew cooperation, coordination, communication, and psychosocial adaptation in future space exploration missions. Much of what is known about effective team composition is drawn from research conducted in conventional workplaces (e.g., corporate offices, production plants). Quantitative reviews of the team composition literature (e.g., Bell, 2007; Bell, Villado, Lukasik, Belau, & Briggs, 2011) are based primarily on traditional teams. Less is known about how composition affects teams operating in extreme environments such as those that will be experienced by crews of future space exploration missions. For example, long-distance and long-duration space exploration (LDSE) crews are expected to live and work in isolated and confined environments (ICEs) for up to 30 months. Crews will also experience communication time delays from mission control, which will require crews to work more autonomously (see Appendix A for more detailed information regarding the LDSE context). Given the unique context within which LDSE crews will operate, NASA identified both a gap in knowledge related to the effective composition of autonomous, LDSE crews, and the need to identify psychological and psychosocial factors, measures, and combinations thereof that can be used to compose highly effective crews (Team Gap 8). As an initial step to address Team Gap 8, we conducted a focused literature review and operational assessment related to team composition issues for LDSE. The objectives of our research were to: (1) identify critical team composition issues and their effects on team functioning in LDSE-analogous environments with a focus on key composition factors that will most likely have the strongest influence on team performance and well-being, and 1 Astronaut diary entry in regards to group interaction aboard the ISS (p.22; Stuster, 2010) 2 (2) identify and evaluate methods used to compose teams with a focus on methods used in analogous environments. The remainder of the report includes the following components: (a) literature review methodology, (b) review of team composition theory and research, (c) methods for composing teams, (d) operational assessment results, and (e) recommendations.

Bell, Suzanne T.↗

Thermal-Strain-Enabled Enhanced Emission from UV Laser-Induced Defect Levels near the Surface of Multilayer MoS 2

Monolayer two-dimensional (2D) materials have been intensively studied while research on multilayers is still in its infancy. Here, we induce defects inside bulk MoS 2 through thermal annealing and near the surface of multilayer MoS 2 using 375 nm laser irradiation, and investigate their photoluminescence (PL) and fluorescence lifetime imaging (FLIM). Enhanced emission is limited within a certain MoS 2 thickness. The observed enhanced emission is evidenced by a threshold behavior in super-linear PL intensity increase, strong polarization effects, and increased lifetime of defect peak. The laser power threshold for enhanced emission is much smaller in defects near the surface than that inside the bulk of multilayer MoS 2 . The mechanical strain from a wrinkle of the sample further lowers the laser power threshold for enhanced emission. By exciting with a 639 nm laser that is close to the fundamental gap between the conduction band minimum and the valence band maximum, the lifetime of defect enhanced emission increased by 5 times. Furthermore, one of the competing indirect bandgap emissions disappears, and the defect emission peak dominates the PL spectrum in the wrinkle area with a strain. Furthermore, the discovered principle can be applied to future studies on the integration of enhanced emission and single photon emission involving selectively depopulating the conduction band of the host crystal to defect levels for quantum emitters.

2D materials↗

Pathways for Electron Transfer at MgO–Water Interfaces from Ab Initio Molecular Dynamics

The nature of electron transfer across metal oxide–water interfaces depends significantly on the band gap of the oxide and its band edge energies relative to the potentials of relevant aqueous redox couples. Here we focus on the water interface with MgO, a prototypical wide band gap oxide whose conduction band edge is close in energy to that of water. We investigate the behavior of an excess electron at and out of equilibrium near the interface using ab initio molecular dynamics based on hybrid density functional theory. Our simulations show that under equilibrium conditions the excess electron (donated by an Al impurity in MgO) localizes to a midgap defect state comparable in energy and shape to a hydrated electron in bulk water. To characterize the electron transfer from the conduction band of MgO to interfacial product states, we dope near-equilibrium configurations of the pristine MgO–water system with Al and run short trajectories of these instantaneously out-of-equilibrium systems. Here we observe two distinct products associated with the excess electron: a surface-localized electron (e surf –) and an aqueous hydrogen radical (H • ). The H • pathway exhibits a much higher activation barrier despite being more exoergic, making e surf – the kinetic product. Our characterization of the pathways on the basis of Marcus theory is consistent with the poor observed utility of MgO for water radiolysis. Moreover, we anticipate that the computational framework employed here will be broadly applicable to assessing electron transfer mechanisms at aqueous, photocatalytic interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating Connected and Automated Vehicles in Co-Simulation Environment of Traffic Microsimulation and Vehicle Dynamics

Connected and automated vehicles (CAVs) have the potential to improve many aspects of the current transportation systems such as safety, mobility, and energy efficiency. In order to evaluate the benefits and impacts of a CAV, the CAV control algorithm is typically implemented on vehicles simulated in a traffic microsimulation environment. However, traffic microsimulation usually lacks detailed vehicle and powertrain dynamics, making it challenging to fully understand how a CAV control algorithm will perform and respond on an actual vehicle. Whether the same benefits measured in the simulation will also be observed in real-world remains an open question. One potential approach to fill in this gap is to conduct a co-simulation of traffic microsimulation with detailed vehicle and powertrain dynamics models, often developed in MATLAB Simulink. However, current microsimulation tools such as VISSIM and SUMO do not have a ready-to-use interface for co-simulation with vehicle dynamics and Simulink. Also, even if such an interface exists, it will be tool-specific, making it challenging to shift from one tool to another or test CAV controls in different tools. There are needs for tool-agnostic co-simulation as different microsimulation tools have their pros and cons, and researchers often need to use different tools based on the purposes of the simulation, project needs, and applications. In this work, Flexible Interface for X-in-the-loop Simulation (FIXS) is developed that can support the co-simulation of microsimulation, CAV control algorithm, and vehicle dynamics model in Simulink. Enabled by the FIXS, the benefit and performance of a CAV control algorithm can be better understood with the consideration of vehicle responses and dynamics. The connection to VISSIM and SUMO is handled internally by the interface, and users can easily switch tools by changing a configuration file. The co-simulation capability is demonstrated for a VISSIM eco-approach and departure CAV scenario and a SUMO cooperative merging scenario for both a passenger CAV and a class 8 heavy-duty connected and automated trucks.

Shao, Yunli↗

Advancing Diffusion Bonded Compact Heat Exchangers for High Temperature Applications

Enhancement of the diffusion bonding process for the development of compact heat exchangers (CHXs) provides an energy efficient solution for high-temperature applications in advanced nuclear reactors and other technologies. However, available information is limited concerning the diffusion bonding (and manufacturing) of CHXs in high temperature applications and associated selection of bonded materials, bonding conditions, mechanical performance, and thermo-fluid characteristics. Here this article reviews the available knowledge and the ongoing research being conducted to address gaps in information and application.

36 MATERIALS SCIENCE↗

Synthesis of ceramic powders and surface films from laser heated gases

Two new processes have been developed that are based on laser-heated gases. Both permit unusually precise levels of process control and, thereby, materials having superior properties. The power process yields Si, Si3N4 and SiC powders that are uniform in size, nonagglomerated, small diameter, spherically shaped and high purity. Manufacturing cost analyses show that submicron powders can be made with an energy cost of approximately 2 kWhr/kg and a dollar cost of 2-3.30 $/kg, exclusive of the costs of feed materials. The laser-induced chemical vapor deposition process (LICVD) causes reactant gases to be heated by absorbing IR light from a laser beam that passes parallel to the substrate surface. Laser heating permits independent control of gas and substrate temperatures while operating in a conventional, thermally activated chemical vapor deposition mode. Spin density, hydrogen content, electrical conductivity and mobility gap properties show the LICVD process capable of producing very high quality films.

Haggerty, J. S.↗