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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 73 records · Page 4

CAPE Threshold for Lightning Over the Tropical Ocean

Here, we investigate the relationship between convective available potential energy (CAPE), precipitation, the number and size of storms and overshooting tops, and lightning stroke density ($\mathcal{f}$) over the Central America region. While $\mathcal{f}$ increases almost linearly with CAPE 1/2 over land, $\mathcal{f}$ is nearly muted over the ocean when CAPE is small. In the high-CAPE regime, on the contrary, oceanic storms produce as many lightning flashes as land storms. We show that individual oceanic storms are smaller and contain fewer overshooting tops compared to land storms, although the difference exists across low- and high-CAPE regimes. While $\mathcal{f}$ increases as individual storm size increases, the storm size required to produce lightning appears to be disproportionately high in the low-CAPE regime, likely due to the stronger entrainment effect. The entrainment effect on $\mathcal{f}$ in the low-CAPE regime appears to be much weaker over land. Applying the CAPE threshold for lightning over the ocean to the CAPE-based lightning parameterization scheme of Romps et al. (2014), https://doi.org/10.1126/science.1259100 improves its performance, in particular, at representing the land-sea contrast in $\mathcal{f}$.

54 ENVIRONMENTAL SCIENCES↗

Cyclic(alkyl)(amino)carbene ruthenium complexes for Z -stereoselective (asymmetric) olefin metathesis

The first Z-stereoselective catechodithiolate ruthenium complexes containing cyclic(alkyl)(amino)carbene ligands are reported. Isolated in nearly quantitative yields or in situ generated, these catalysts demonstrated remarkable Z selectivity (Z/E ratio up to >98/2) in ring-opening metathesis polymerization (ROMP), ring-opening-cross metathesis (ROCM) and cross-metathesis (CM). Thanks to the efficient chiral HPLC resolution of racemic CAAC-complex precursors, optically pure dithiolated complexes were also synthesized allowing to produce enantioenriched Z-ROCM products in >99/1 Z/E with good levels of enantioselectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Janus bottlebrush compatibilizers

Bottlebrush random copolymers (BRCPs), consisting of a random distribution of two homopolymer chains along a backbone, can segregate to the interface between two immiscible homopolymers. BRCPs undergo a reconfiguration, where each block segregates to one of the homopolymer phases, adopting a Janus-type structure, reducing the interfacial tension and promoting adhesion between the two homopolymers, thereby serving as a Janus bottlebrush copolymer (JBCP) compatibilizer. Here, we synthesized a series of JBCPs by copolymerizing deuterated or hydrogenated polystyrene (DPS/PS) and poly(tert-butyl acrylate) (PtBA) macromonomers using ruthenium benzylidene-initiated ring-opening metathesis polymerization (ROMP). Subsequent acid-catalyzed hydrolysis converted the PtBA brushes to poly(acrylic acid) (PAA). The JBCPs were then placed at the interface between DPS/PS homopolymers and poly(2-vinyl pyridine) (P2VP) homopolymers, where the degree of polymerization of the backbone (N BB ) and the grafting density (GD) of the JBCPs were varied. Neutron reflectivity (NR) was used to determine the interfacial width and segmental density distributions (including PS homopolymer, PS block, PAA block and P2VP homopolymer) across the polymer-polymer interface. Our findings indicate that the star-like JBCP with N BB = 6 produces the largest interfacial broadening. Increasing N BB to 100 (rod-like shape) and 250 (worm-like shape) reduced the interfacial broadening due to a decrease in the interactions between blocks and homopolymers by stretching of blocks. Decreasing the GD from 100% to 80% at N BB = 100 caused an increase the interfacial width, yet further decreasing the GD to 50% and 20% reduced the interfacial width, as 80% of GD may efficiently increase the flexibility of blocks and promote interactions between homopolymers, while maintaining relatively high number of blocks attached to one molecule. The interfacial conformation of JBCPs was further translated into compatibilization efficiency. Thin film morphology studies showed that only the lower N BB values (N BB = 6 and N BB = 24) and the 80% GD of N BB = 100 had bicontinuous morphologies, due to a sufficient binding energy that arrested phase separation, supported by mechanical testing using asymmetric double cantilever beam (ADCB) tests. These provide fundamental insights into the assembly behavior of JBCPs compatibilizers at homopolymer interfaces, opening strategies for the design of new BCP compatibilizers.

36 MATERIALS SCIENCE↗

FROMP-from-Monomer

This repository provides the 1D reaction-diffusion simulation engine for the multi-scale framework. It takes monomer-level kinetic and thermodynamic descriptors as inputs, approximated from quantum chemical calculations, to simulate and predict the macroscopic propagation behavior of Frontal Ring-Opening Metathesis Polymerization (FROMP). By solving a coupled 1D reaction-diffusion PDE system, this tool predicts front propagation speed, front temperature, and degree of conversion. The solver explicitly captures the three fundamental ROMP steps, initiator activation/inhibition, chain initiation, and propagation, while accounting for high-temperature cycloreversion as a competing pathway. The numerical implementation uses FEniCS to handle the coupled heat diffusion and reaction kinetics.

Chua, Lauren [Massachusetts Inst. of Technology (M↗

KAZR Hydrometeor and Insect Masks

The Ka-band ARM zenith pointing radar (aka, KAZR) is so sensitive that it detects cloud particles and individual insects. While detecting insects with Ka-band radar is beneficial and desirable to advance radar entomology, this sensitivity can be detrimental to radar meteorology because insects could be interpreted as clouds or precipitation. For example, misclassifying insects as clouds has been a problem for the ARM Active Remote Sensing of Clouds (ARSCL) Value Added Product since its inception (Clothiaux et al. 2000). Based on cloud particle and insect radar scattering properties, an algorithm was developed that identifies clouds, raindrops, ice particles, and insects in KAZR co- and cross-polarimeteric Doppler velocity spectra. The algorithm produces affirmative masks in the KAZR native time and height resolution indicating time-height locations of hydrometeors and insects. The hydrometeor mask contains binary information (e.g., yes/no hydrometeor presence), and the insect mask includes a proxy for insect activity that increases when more insects are detected in the Doppler velocity spectra. The algorithm was developed using KAZR medium sensitivity mode (MD) observations and was applied to two summer seasons of KAZR observations at the Southern Great Plains (SGP) Central Facility: May-October 2018 and 2019. In the future, this data set will be expanded to include other KAZR operating modes and observations from other ARM field sites. Details of the algorithm and data set can be found in: Williams, C.R., K.L. Johnson, S.E. Giangrande, J. C. Hardin, R. Oktem, and D. M. Romps, 2021: Identifying Insects, Clouds, and Precipitation using Vertically Pointing Polarimetric Radar Doppler Velocity Spectra. Atmospheric Measurement Techniques, submitted 6-Feb-2021. https://amt.copernicus.org/preprints/amt-2021-27/#discussion.For more information on the ARSCL VAP, see Clothiaux, E. E., T. P. Ackerman, G. G. Mace, K. P. Moran, R. T. Marchand, M. A. Miller, and B. E. Martner, 2000; J. Appl. Meteor., 39, 645-665.

54 ENVIRONMENTAL SCIENCES↗

Optical/thermal analysis methodology for a space-qualifiable RTP furnace

A methodology to predict the coupled optical/thermal performance of a reflective cavity heating system was developed and a laboratory test to verify the method was carried out. The procedure was utilized to design a rapid thermal processing (RTP) furnace for the Robot-Operated Material Processing in Space (ROMPS) Program which is a planned STS HH-G canister experiment involving robotics and material processing in microgravity. The laboratory test employed a tungsten-halogen reflector/lamp to heat thin, p-type silicon wafers. Measurements instrumentation consisted of 5-mil Pt/Pt-Rh thermocouples and an optical pyrometer. The predicted results, utilizing an optical ray-tracing program and a lumped-capacitance thermal analyzer, showed good agreement with the measured data for temperatures exceeding 1300 C.

Bugby, D.↗

Rapid Thermal Processing (RTP) of semiconductors in space

The progress achieved on the project entitled 'Rapid Thermal Processing of Semiconductors in Space' for a 12 month period of activity ending March 31, 1993 is summarized. The activity of this group is being performed under the direct auspices of the ROMPS program. The main objective of this program is to develop and demonstrate the use of advanced robotics in space with rapid thermal process (RTP) of semiconductors providing the test technology. Rapid thermal processing is an ideal processing step for demonstration purposes since it encompasses many of the characteristics of other processes used in solid state device manufacturing. Furthermore, a low thermal budget is becoming more important in existing manufacturing practice, while a low thermal budget is critical to successful processing in space. A secondary objective of this project is to determine the influence of microgravity on the rapid thermal process for a variety of operating modes. In many instances, this involves one or more fluid phases. The advancement of microgravity processing science is an important ancillary objective.

Anderson, T. J.↗

An open-shell restricted Hartree-Fock perturbation theory based on symmetric spin orbitals

A new open-shell perturbation theory is formulated in terms of symmetric spin orbitals. Only one set of spatial orbitals is required, thereby reducing the number of independent coefficients in the perturbed wavefunctions. For second order, the computational cost is shown to be similar to a closed-shell calculation. This formalism is therefore more efficient than the recently developed RMP, ROMP or RMP-MBPT theories. The perturbation theory described herein was designed to have a close correspondence with our recently proposed coupled-cluster theory based on symmetric spin orbitals. The first-order wavefunction contains contributions from only doubly excited determinants. Equilibrium structures and vibrational frequencies determined from second-order perturbation theory are presented for OH, NH, CH, 02, NH2 and CH2.

Lee, Timothy J.↗

STS-64 Space Shuttle mission report

The STS-64 Space Shuttle Program Mission Report summarizes the Payload activities as well as the Orbiter, External Tank (ET), Solid Rocket Booster (SRB), Redesigned Solid Rocket Motor (RSRM), and the Space Shuttle main engine (SSME) systems performance during the sixty-fourth flight of the Space Shuttle Program and the nineteenth flight of the Orbiter vehicle Discovery (OV-103). In addition to the Orbiter, the flight vehicle consisted of an ET that was designated ET-66; three SSMEs that were designated as serial numbers 2031, 2109, and 2029 in positions 1, 2, and 3, respectively; and two SRB's that were designated Bl-068. The RSRM's that were installed in each SRB were designated as 360L041 A for the left SRB, and 360L041 B for the right SRB. The primary objective of this flight was to successfully perform the planned operations of the Lidar In-Space Technology Experiment (LITE), and to deploy the Shuttle Pointed Autonomous Research Tool for Astronomy (SPARTAN) -201 payload. The secondary objectives were to perform the planned activities of the Robot Operated Materials Processing System (ROMPS), the Shuttle Amateur Radio Experiment - 2 (SAREX-2), the Solid Surface Combustion Experiment (SSCE), the Biological Research in Canisters (BRIC) experiment, the Radiation Monitoring Equipment-3 (RME-3) payload, the Military Application of Ship Tracks (MAST) experiment, and the Air Force Maui Optical Site Calibration Test (AMOS) payload.

Fricke, Robert W., Jr.↗

Group transfer polymerization for the production of functional monomers

The present invention provides efficient processes for preparing brush polymers. In general, the process comprises three distinct reaction steps utilizing two separate catalysts. In the first step, the initiating compound comprising norbornene is contacted with a silane in the presence of a catalyst, thereby forming a silated intermediate. This silated intermediate is then contacted with a monomer in the presence of a catalyst via Group Transfer Polymerization (GTP). The resulting compound from GTP is contacted with a ring opening metathesis polymerization (ROMP) catalyst to prepare the brush polymer. Surprisingly, the brush polymers obtained from the above process are accessed in an efficient and rapid GTP methodology as compared to prior methods.

Miyake, Garret↗

Use of latent metathesis polymerization systems for photopolymerization-based additive manufacturing

Photolatent olefin metathesis catalysts can be used in combination with metathesis-active monomers or resins for photopolymerization-based additive manufacturing via ring-opening metathesis polymerization (ROMP). A variety of alternative catalysts and photosensitizers are commercially available that allows for tuning of thermomechanical properties, potlifes, activation rates, and irradiation wavelengths. As an example, two optimized catalyst/photosensitizer systems were demonstrated in the rapid stereolithographic printing of complex, multidimensional poly-dicyclopentadiene structures with microscale features under ambient conditions.

Leguizamon, Samuel↗

Highly Conductive Polyoxanorbornene‐Based Polymer Electrolyte for Lithium‐Metal Batteries

Abstract This present study illustrates the synthesis and preparation of polyoxanorbornene‐based bottlebrush polymers with poly(ethylene oxide) (PEO) side chains by ring‐opening metathesis polymerization for solid polymer electrolytes (SPE). In addition to the conductive PEO side chains, the polyoxanorbornene backbones may act as another ion conductor to further promote Li‐ion movement within the SPE matrix. These results suggest that these bottlebrush polymer electrolytes provide impressively high ionic conductivity of 7.12 × 10 −4 S cm −1 at room temperature and excellent electrochemical performance, including high‐rate capabilities and cycling stability when paired with a Li metal anode and a LiFePO 4 cathode. The new design paradigm, which has dual ionic conductive pathways, provides an unexplored avenue for inventing new SPEs and emphasizes the importance of molecular engineering to develop highly stable and conductive polymer electrolytes for lithium‐metal batteries (LMB).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Rankine-Kirchhoff approximations for moist thermodynamics

The Rankine-Kirchhoff equation for the saturation vapor pressure has been derived independently many times, sometimes with the presumption of novelty. As a result, the equation is referred to in the literature by a bewildering number of different names and, often, by no name at all. In this work, the history of the Rankine-Kirchhoff equation is reviewed. The three approximations used to derive it (ideal gas, constant heat capacities, and zero-volume condensates) can be used to derive a whole system of accurate and analytic expressions of relevance to the atmosphere. Consequently, it is proposed that this set of approximations be elevated to a named entity, e.g., the Rankine-Kirchhoff approximations.

54 ENVIRONMENTAL SCIENCES↗

Scaling of energy delivered through an electrostatic discharge to a small series load

We study the energy delivered through a small-resistance series “victim” load during electrostatic discharge events in air. For gap lengths over 1 mm, the fraction of the stored energy delivered is mostly gap-length independent, with a slight decrease at larger gaps due to electrode geometry. The energy to the victim scales linearly with circuit capacitance and victim load resistance but is not strongly dependent on circuit inductance. This scaling leads to a simple approach to predicting the maximum energy that will be delivered to a series resistance for the case where the victim load resistance is lower than the spark resistance.

42 ENGINEERING↗

Evaluating the Future of Lightning in Cloud‐Resolving Models

Abstract Two proxies for lightning predict very different responses to global warming: the CAPE times precipitation proxy predicts a large increase in lightning over both the continental United States and the tropical oceans, while the ice flux proxy predicts a small increase over the United States and a decrease over the tropical oceans. To date, however, these proxies have been studied only in global climate models with parameterized convection. Here, cloud‐resolving simulations are used to assess their predictions of future lightning rates. Over the United States, all proxies predict a large increase in the lightning rate in the range of 8–16%/K. On the other hand, in the tropics as modeled by radiative convective equilibrium, half of the proxies predict an increase (of 5–12%/K), while the other half predict a decrease (of 1–4%/K). The reasons for the different responses of these proxies is explored, but it remains unclear which proxy is best suited to predicting future lightning rates.

Romps, David M.↗

Clouds and Convective Self-Aggregation in a Multimodel Ensemble of Radiative-Convective Equilibrium Simulations

The Radiative-Convective Equilibrium Model Intercomparison Project (RCEMIP) is an intercomparison of multiple types of numerical models configured in radiative-convective equilibrium (RCE). RCE is an idealization of the tropical atmosphere that has long been used to study basic questions in climate science. Here, we employ RCE to investigate the role that clouds and convective activity play in determining cloud feedbacks, climate sensitivity, the state of convective aggregation, and the equilibrium climate. RCEMIP is unique among intercomparisons in its inclusion of a wide range of model types, including atmospheric general circulation models (GCMs), single column models (SCMs), cloud-resolving models (CRMs), large eddy simulations (LES), and global cloud-resolving models (GCRMs). The first results are presented from the RCEMIP ensemble of more than 30 models. While there are large differences across the RCEMIP ensemble in the representation of mean profiles of temperature, humidity, and cloudiness, in a majority of models anvil clouds rise, warm, and decrease in area coverage in response to an increase in sea surface temperature (SST). Nearly all models exhibit self-aggregation in large domains and agree that self-aggregation acts to dry and warm the troposphere, reduce high cloudiness, and increase cooling to space. The degree of self-aggregation exhibits no clear tendency with warming. There is a wide range of climate sensitivities, but models with parameterized convection tend to have lower climate sensitivities than models with explicit convection. In models with parameterized convection, aggregated simulations have lower climate sensitivities than unaggregated simulations.

54 ENVIRONMENTAL SCIENCES↗

Evolving CO 2 rather than SST leads to a factor of ten decrease in GCM convergence time

The high computational cost of Global Climate Models (GCMs) is a problem that limits their use in many areas. Recently an inverse climate modeling (InvCM) method, which fixes the global mean sea surface temperature (SST) and evolves the CO 2 mixing ratio to equilibrate climate, has been implemented in a cloud resolving model. In this paper, we apply InvCM to ExoCAM GCM aquaplanet simulations, allowing the SST pattern to evolve while maintaining a fixed global-mean SST. We find that InvCM produces the same climate as normal slab-ocean simulations but converges an order of magnitude faster. We then use InvCM to calculate the equilibrium CO 2 for SSTs ranging from 290 K to 340 K at 1 K intervals and reproduce the large increase in climate sensitivity at an SST of about 315 K at much higher temperature resolution. The speedup provided by InvCM could be used to equilibrate GCMs at higher spatial resolution or to perform broader parameter space exploration in order to gain new insight into the climate system. Additionally, InvCM could be used to find unstable and hidden climate states, and to find climate states close to bifurcations such as the runaway greenhouse transition.

54 ENVIRONMENTAL SCIENCES↗