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At least 1,603 records · Page 89

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NASA NTRS2012

Derivation of a New Smoke Emissions Inventory using Remote Sensing, and Its Implications for Near Real-Time Air Quality Applications

A new emissions inventory of particulate matter (PM) is being derived mainly from remote sensing data using fire radiative power (FRP) and aerosol optical depth (AOD) retrievals from the Moderate Resolution Imaging Spectroradiometer (MODIS) instrument, as well as wind data from the Modern Era Retrospective-Analysis for Research and Applications (MERRA) reanalysis dataset, which spans the satellite era. This product is generated using a coefficient of emission, C(sub e), that has been produced on a 1x1 degree global grid such that, when it is multiplied with satellite measurements of FRP or its time-integrated equivalent fire radiative energy (FRE) retrieved over a given area and time period, the corresponding PM emissions are estimated. This methodology of using C(sub e) to derive PM emissions is relatively new and advantageous for near real-time air quality applications compared to current methods based on post-fire burned area that may not provide emissions in a timely manner. Furthermore, by using FRP to characterize a fire s output, it will represent better accuracy than the use of raw fire pixel counts, since fires in individual pixels can differ in size and strength by orders of magnitude, resulting in similar differences in emission rates. Here we will show examples of this effect and how this new emission inventory can properly account for the differing emission rates from fires of varying strengths. We also describe the characteristics of the new emissions inventory, and propose the process chain of incorporating it into models for air quality applications.

Ellison, Luke↗

NASA NTRS2018

Instability and Target Design in a Z-Pinch Driven Pulsed Fission / Fusion Engine

Advanced forms of propulsion are required to drastically improve upon the limits of existing technology and enable deep space exploration. Nuclear reactors, both fission and fusion, have great potential as systems with high energy density for spacecraft propulsion. There are a variety of nuclear propulsion concepts that have been proposed over the last several decades. Some of these rely on the confinement of plasmas by both magnetic and inertial means. When discussing the plasma confinement one must consider the stability of the system. The conditions of the plasma dictate the burn rate of the nuclear fuel; therefore, the plasma must maintain a minimum set of conditions in order to achieve an adequate burn. Instabilities limit plasma confinement through growing fluctuations in density and pressure. This results in turbulent mixing and loss of confinement. Thus it is desirable to find ways of managing the impact of instabilities that arise in order for a sufficient burn of the fuel such that surplus energy can be converted into a propulsive force. Note that the same instabilities plague the confinement of plasmas for terrestrial power generation. Over the last several years there has been research relating to the development of a Pulsed Fission-Fusion Engine (PuFF) conducted by the authors and others at their respective institutions. The propulsion system concept centers on the use of a z-pinch to compress a plasma in order to induce nuclear reactions. The plasma along with the additional energy released by the fission and fusion processes is expanded with a magnetic nozzle to produce thrust. The concept, if developed, is expected to have an improvement in specific impulse of several orders of magnitude in comparison with chemical propulsion systems. The z-pinch has been explored in the past as a method to confine a plasma via magnetic confinement fusion (MCF) for power generation. It suffers; however, from instabilities that so far have prevented break even conditions.

Taylor, Brian↗

DOE OSTI2024

Evaluation of Minimum NOx Emission From Ammonia Combustion

Abstract Ammonia (NH3) is being explored as a hydrogen carrier with no carbon emissions. However, if burned directly as NH3, rather than being completely decomposed back to N2/H2, the fuel-bound nitrogen comes with a potentially significant NOx emissions penalty. Indeed, several existing studies are showing ammonia combustion NOx emissions that exceed current natural gas fueled, DLN technologies by one to two orders of magnitude. Therefore, it is important to establish the theoretical minimum NOx emissions for an ammonia combustor, to determine how much NOx levels can be reduced via further technology development. In other words, the purpose of this work is not to analyze the performance of a specific combustor but, rather, the fundamental limits of what is achievable. This study quantifies this minimum NOx level for a two-stage combustor system for a given combustor exit temperature and residence time, with a constraint on unburned fuel levels. As expected, the optimum configuration is a rich front end combustor to burn and crack ammonia with significant H2 production, followed by an NO relaxation reactor, followed by a lean stage that consumes the remaining H2. The optimum residence time and stoichiometry of each zone are determined in the fast mixing limit, which essentially balances between NOx production in the primary and secondary zones. These results show minimum NOx levels are in 200–400 ppm range at 1 bar, but drop to levels of ∼25 ppm at 20 bar. These NOx emissions are dominated by NOx production in the primary stage which relaxes to equilibrium levels quite slowly. As processes controlling NOx relaxation to equilibrium in the primary stage dominate overall NO emission levels, combustor NOx sensitivities are essentially opposite that of natural gas fired, DLN systems. Specifically, NOx values drop with increased combustor residence time, increased pressure, and increased combustor exit temperature. These results also suggest that the most important strategy for NOx minimization is to provide sufficient relaxation time after the primary zone for NOx to approach equilibrium—this can be done via kinetic means to accelerate this relaxation rate, such as enhancing pressure or temperature, or increasing residence times. Indeed, this work shows that low pressure combustors specifically optimized for ammonia will have residence times that are one to two orders of magnitude larger than current natural gas systems. By doing so, NOx levels below 10 ppm may be achievable. Finally, we discuss the sensitivity of these values to uncertainties in ammonia kinetics.

Engineering↗

DOE OSTI2013

State-of-the-art on instant release of fission products from spent nuclear fuel

Within the EURATOM FP7 Collaborative Project 'Fast / Instant Release of Safety Relevant Radionuclides from Spent Nuclear Fuel (CP FIRST-Nuclides)', a State-of-the-Art Report was prepared. The fast / instant release fraction (IRF) is defined as a fraction of the inventory of radionuclides that may be rapidly released from the fuel and fuel assembly materials at the time of canister breaching. In the context of safety analysis for a repository, the time span for mobilization of this fraction can be considered instantaneously, even if the process takes some time in experiments. Radionuclides contributing to the fast release are fission gases (Kr and Xe), easily soluble elements such as cesium and iodine, and other elements which are hardly incorporated in the UO{sub 2} crystal lattice. The present contribution summarizes the results obtained from published studies focused on rapid release experiments carried out with different spent nuclear fuel (SNF), samples, sizes, techniques (batch and flow-through), and durations. A total of 80 experiments cover the study of UO{sub 2} SNF from pressure water reactors (PWR) of different initial enrichments and burn-up, while 20 experiments were performed with UO{sub 2} SNF from boiling water reactors (BWR) and 8 with MOX fuel. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

LES and RANS Spray Combustion Analysis of OME 3-5 and n-Dodecane

Clean-burning oxygenated and synthetic fuels derived from renewable power, so-called e-fuels, are a promising pathway to decarbonize compression–ignition engines. Polyoxymethylene dimethyl ethers (PODEs or OMEs) are one candidate of such fuels with good prospects. Their lack of carbon-to-carbon bonds and high concentration of chemically bound oxygen effectively negate the emergence of polycyclic aromatic hydrocarbons (PAHs) and even their precursors like acetylene (C 2 H 2 ), enabling soot-free combustion without the soot-NO x trade-off common for diesel engines. The differences in the spray combustion process for OMEs and diesel-like reference fuels like n-dodecane and their potential implications on engine applications include discrepancies in the observed ignition delay, the stabilized flame lift-off location, and significant deviations in high-temperature flame morphology. For CFD simulations, the accurate modeling and prediction of these differences between OMEs and n-dodecane proved challenging. This study investigates the spray combustion process of an OME 3 − 5 mixture and n-dodecane with advanced optical diagnostics, Reynolds-Averaged Navier–Stokes (RANS), and Large-Eddy Simulations (LESs) within a constant-volume vessel. Cool-flame and high-temperature combustion were measured simultaneously via high-speed (50 kHz) imaging with formaldehyde (CH 2 O) planar laser-induced fluorescence (PLIF) representing the former and line-of-sight OH* chemiluminescence the latter. Both RANS and LES simulations accurately describe the cool-flame development process with the formation of CH 2 O. However, CH 2 O consumption and the onset of high-temperature reactions, signaled by the rise of OH* levels, show significant deviations between RANS, LES, and experiments as well as between n-dodecane and OME. A focus is set on the quality of the simulated results compared to the experimentally observed spatial distribution of OH*, especially in OME fuel-rich regions. The influence of the turbulence modeling is investigated for the two distinct ambient temperatures of 900 K and 1200 K within the Engine Combustion Network Spray A setup. The capabilities and limitations of the RANS simulations are demonstrated with the initial cool-flame propagation and periodic oscillations of CH 2 O formation/consumption during the quasi-steady combustion period captured by the LES.

CFD↗

DOE OSTI2022

Marine Shallow Cloud Adjustments to the Presence of Shortwave-Absorbing Aerosols: Advancing Understanding Through a Combined Analysis of Lasic Datasets and Process Modeling (Final Report)

This is a final report for this award, whose purpose was to support the analysis of data emanating from the LASIC (Layered Atlantic Smoke Interaction with Clouds) campaign. (Layered Atlantic Smoke Interactions with Clouds) is a strategy to improve our understanding of aged carbonaceous aerosol, its seasonal evolution, and the mechanisms by which clouds adjust to the presence of the aerosol. The observational strategy centers on deploying the AMF1 cloud, aerosol, and atmospheric profiling instrumentation to Ascension Island, located within the trade-wind shallow cumulus regime (14.50W, 80S) 3000 km offshore of continental Africa. The location is within the latitude zone of the maximum outflow of aerosol, with the deepening boundary layer known to entrain free-tropospheric smoke. The primary activities for LASIC are: 1) to improve current knowledge on aged biomass burning aerosol and its radiative properties as a function of the seasonal cycle; 2) to use surface-based remote sensing to sensitively interrogate the atmosphere for the relative vertical location of aerosol and clouds; 3) to improve our understanding of the cloud adjustments to the presence of shortwave-absorbing aerosol within the vertical column, both through aerosol-radiation and through aerosol-cloud interactions; 4) to aid low cloud parameterization efforts for climate models. This award serves to further these activities and includes a sub-award to Dr. Pablo Saide at UCLA for activities 3) and 4).

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1986

Recent concepts in missions to Mars - Extraterrestrial processes

This paper presents some recent concepts in Mars Sample Return (MSR) missions that utilize extraterrestrial resources. The concepts examined include the power and energy needs of this mission. It is shown that solar energy is not especially attractive. Radioisotopic power generator and a Rankine cycle use are seen to be viable options. Quantitative estimates, taking into consideration state-of-the-art and projected technologies indicate that the power/energy per se is not critical to the mission - but reliability is. Hence, various modern options for the components of the power generation and utilization are discussed. The dramatic savings in Shuttle (or other) vehicle launches are quantitatively plotted. The basic system that is discussed here is the production of hydrocarbon (methane) fuel and oxygen from Martian atmosphere. For the simplest mission, it is seen that earth-carried methane burned with oxygen produced on site provides the best system.

Ramohalli, K. N.↗

DOE OSTI2024

Spatially Precise Light‐Activated Dedoping in Wafer‐Scale MoS 2 Films

2D materials, particularly transition metal dichalcogenides (TMDCs), have shown great potential for microelectronics and optoelectronics. However, a major challenge in commercializing these materials is the inability to control their doping at a wafer scale with high spatial fidelity. Interface chemistry is used with the underlying substrate oxide and concomitant exposure to visible light in ambient conditions for photo-dedoping wafer scale MoS 2 . It is hypothesized that the oxide layer traps photoexcited holes, leaving behind long-lived electrons that become available for surface reactions with ambient air at sulfur vacancies (defect sites) resulting in dedoping. Additionally, high fidelity spatial control is showcased over the dedoping process, by laser writing, and fine control achieved over the degree of doping by modulating the illumination time and power density. This localized change in MoS 2 doping density is very stable (at least 7 days) and robust to processing conditions like high temperature and vacuum. The scalability and ease of implementation of this approach can address one of the major issues preventing the “Lab to Fab” transition of 2D materials and facilitate its seamless integration for commercial applications in multi-logic devices, inverters, and other optoelectronic devices.

14 SOLAR ENERGY↗

DOE OSTI2014

Advantage of suppressed non-Langevin recombination in low mobility organic solar cells

Photovoltaic performance in relation to charge transport is studied in efficient (7.6%) organic solar cells (PTB7:PC{sub 71}BM). Both electron and hole mobilities are experimentally measured in efficient solar cells using the resistance dependent photovoltage technique, while the inapplicability of classical techniques, such as space charge limited current and photogenerated charge extraction by linearly increasing voltage is discussed. Limits in the short-circuit current originate from optical losses, while charge transport is shown not to be a limiting process. Efficient charge extraction without recombination can be achieved with a mobility of charge carriers much lower than previously expected. The presence of dispersive transport with strongly distributed mobilities in high efficiency solar cells is demonstrated. Reduced non-Langevin recombination is shown to be beneficial for solar cells with imbalanced, low, and dispersive electron and hole mobilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Comparative life cycle assessment of bioenergy in Japan from residual biomass-based wood pellets produced in the US Pacific Northwest

The US Pacific Northwest (PNW) faces an increase in wildfires due to forest overcrowding and climate change, posing significant environmental and public health risks. Traditional methods of managing surplus biomass, including prescribed burning, have increased air pollution and global warming. While in the PNW, residual woody biomass is being treated as waste, Japan’s growing demand for bio-based energy presents an opportunity to export value-added biomass as energy pellets. This study investigates whether producing wood pellets from the residual woody biomass from forest operations and sawmills for electricity generation in Japan is truly environmentally beneficial. Accordingly, we conducted a cradle-to-grave Life Cycle Assessment (LCA) to evaluate the environmental impact of residual pellets vs. coal for electricity generation. The assessment covered feedstock production, pellet processing, transportation, and combustion phases. Our findings indicate that replacing coal-based electricity in Japan with PNW residual pellet-based electricity can lower the Global Warming Potential (GWP) by about 90% for every unit of electricity displaced. Furthermore, the results show that repurposing the otherwise burnt harvest slash residues for pellet production would improve local air quality by reducing PM 2.5 and smog in the PNW. However, substituting coal with residual pellets marginally increased carcinogenic and ecotoxicity-related emissions. Based on these results, we conclude that substituting coal with residual wood pellets for electricity generation, particularly harvest-slash residual pellets, is environmentally beneficial across most impact categories, including the GWP. This research underscores how an export‑oriented pellet industry can help address the environmental challenges within the regional US wood products industry and global renewable energy supply.

Velappan, Hemalatha [Univ. of Washington, Seattle,↗

DOE OSTI2020

A model for radiative heating of a high-Z pusher

Several approaches to Inertial Confinement Fusion (ICF), including double-shell, pushered-single-shell, and the Revolver designs, have fuel surrounded by pushers made from high-Z materials. An advantage of these designs is that radiation emitted by the hot fuel will be absorbed and re-radiated into the fuel to reduce cooling. This process is referred to as radiation-trapping, and it lowers the fuel temperature required for ignition. To elucidate the physics of radiation trapping, a simplified model comprising a set of coupled differential equations has been developed to model the arbitrary time-dependent wall temperature from the Hammer and Rosen solution [J. H. Hammer and M. D. Rosen, Phys. Plasmas 10, 1829 (2003)] to a Marshak wave. The derivation of the model and a set of analytical power-law solutions will be presented. A discussion on numerical implementation of the differential equations into a model for burn in ICF capsules is also included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Birth of a Be star: an APOGEE search for Be stars forming through binary mass transfer

ABSTRACT Motivated by recent suggestions that many Be stars form through binary mass transfer, we searched the APOGEE survey for Be stars with bloated, stripped companions. From a well-defined parent sample of 297 Be stars, we identified one mass-transfer binary, HD 15124. The object consists of a main-sequence Be star ($M_{\rm Be}=5.3\pm 0.6\, {\rm M}_{\odot }$) with a low-mass ($M_{\rm donor}=0.92\pm 0.22\, {\rm M}_{\odot }$), subgiant companion on a 5.47-d orbit. The emission lines originate in an accretion disc caused by ongoing mass transfer, not from a decretion disc as in classical Be stars. Both stars have surface abundances bearing imprint of CNO processing in the donor’s core: the surface helium fraction is YHe ≈ 0.6, and the nitrogen-to-carbon ratio is 1000 times the solar value. The system’s properties are well-matched by binary evolution models in which mass transfer begins while a $3-5\, {\rm M}_{\odot }$ donor leaves the main sequence, with the originally less massive component becoming the Be star. These models predict that the system will soon become a detached Be + stripped star binary like HR 6819 and LB-1, with the stripped donor eventually contracting to become a core helium-burning sdO/B star. Discovery of one object in this short-lived (∼1 Myr) evolutionary phase implies the existence of many more that have already passed through it and are now Be + sdO/B binaries. We infer that $(10-60)\, {{\ \rm per\ cent}}$ of Be stars have stripped companions, most of which are $\sim 100\, \times$ fainter than the Be stars in the optical. Together with the dearth of main-sequence companions to Be stars and recent discovery of numerous Be + sdO/B binaries in the UV, our results imply that binarity plays an important role in the formation of Be stars.

El-Badry, Kareem (ORCID:0000000268711752)↗

DOE OSTI2012

Advanced Wear-resistant Nanocomposites for Increased Energy Efficiency (Final Technical Report)

This report summarizes the work performed by an Ames-led project team under a 4-year DOE-ITP sponsored project titled, "Advanced Wear-resistant Nanocomposites for Increased Energy Efficiency." The Report serves as the project deliverable for the CPS agreement number 15015. The purpose of this project was to develop and commercialize a family of lightweight, bulk composite materials that are highly resistant to degradation by erosive and abrasive wear. These materials, based on AlMgB 14 , are projected to save over 30 TBtu of energy per year when fully implemented in industrial applications, with the associated environmental benefits of eliminating the burning of 1.5 M tons/yr of coal and averting the release of 4.2 M tons/yr of CO 2 into the air. This program targeted applications in the mining, drilling, machining, and dry erosion applications as key platforms for initial commercialization, which includes some of the most severe wear conditions in industry. Production-scale manufacturing of this technology has begun through a start-up company, NewTech Ceramics (NTC). This project included providing technical support to NTC in order to facilitate cost-effective mass production of the wear-resistant boride components. Resolution of issues related to processing scale-up, reduction in energy intensity during processing, and improving the quality and performance of the composites, without adding to the cost of processing were among the primary technical focus areas of this program. Compositional refinements were also investigated in order to achieve the maximum wear resistance. In addition, synthesis of large-scale, single-phase AlMgB 14 powder was conducted for use as PVD sputtering targets for nanocoating applications.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS1976

Composite propellant combustion modeling with a porous plate burner

A burner is designed to model on a large scale (millimeters) the complex vapor phase processes that take place on awkwardly small scales (about a hundred microns) in the combustion of practical AP/ composite propellants at conventional pressures. Binder vapor evolution is modeled with gaseous fuel (ethane in the experiments reported) flow through a porous plate and oxidizer vapor with the flow of a gaseous oxidizer (air and enriched air in the experiments reported) through discrete holes in the porous plate. Measured flame standoff distance and surface temperature variations are consistent with theoretical predictions at atmospheric pressure. Data obtained at several atmospheres are discussed in the light of the current theories of propellant burning that place varying emphasis on the roles of chemical kinetics and fluid dynamic diffusion/mixing in the vapor phase of a burning composite propellant. The potential and proposed future applications of the burner are indicated.

Kumar, R. N.↗

NASA NTRS2006

Ejecta of Eta Carinae: What We Learn about N-Rich Chemistry

At least one member of the binary system, Eta Carinae, is in the late stages of CNO-cycle. At least ten solar masses of ejecta make up the Homunculus, a neutral bi-polar shell ejected in the 1840s and the Little Homunculus, an internal, ionized bi-polar shell ejected in the 1890s. HST/STIS and VLTAJVES high dispersion spectroscopy revealed absorptions of multiple elements and diatomic molecules in these shells, some, such as V II and Sr II have not been seen previously in the ISM. The skirt region between the bi-lobes includes the very bright Weigelt blobs, within 0.1 to 0.3" of the central source, and the more distant, unusual Strontium Filament, a neutral emission nebula photoexcited by Balmer continuum, but shielded by Fe II from Lyman radiation. The 600+ emission lines are due to metals usually tied up in dust, but underabundances of C and O prevent precipitation as oxides onto the dust grains. Indications are that Ti/Ni is 100X solar, likely due not to nuclear processing, but the very different photo-excitation environments coupled with N-rich, C-, O-poor chemistry. In the Homunculus, level populations of the molecules indicate 60K gas; the metal absorption lines, 760K; that of the Little Homunculus 6400K during the broad spectroscopic maximum, relaxing to 5000K for the few month long minimum. Lyman radiation, including both continuum and Lyman lines, is trapped across periastron. leading to temporary relaxation of the ejecta. These ejecta are a treasure trove of information on material thrown out of massive stars in the CNO-cycle, well before the helium burning phase. Curiously, spectra of three very recent SWIFT GRBs indicate the presence of warm, photoexcited ejecta in the vicinity of the protoGRBs, but obviously of very different abundances. However, the ejecta of Eta Carinae promise to be a nearby example of massive ejecta, the study of which should lead to increased insight of earlier, very distant massive stars.

Gull, Theodore↗

DOE OSTI2012

Continued Evaluation of the Pulse-Echo Ultrasonic Instrument for Critical Velocity Determination during Hanford Tank Waste Transfer Operations - 12518

The delivery of Hanford double-shell tank waste to the Hanford Tank Waste Treatment and Immobilization Plant (WTP) will be governed by specific Waste Acceptance Criteria that are identified in ICD 19 - Interface Control Document for Waste Feed. Waste must be certified as acceptable before it can be delivered to the WTP. The fluid transfer velocity at which solid particulate deposition occurs in waste slurry transport piping (critical velocity) is a key waste parameter that must be accurately characterized to determine if the waste is acceptable for transfer to the WTP. In 2010 Washington River Protection Solutions and the Pacific Northwest National Laboratory began evaluating the ultrasonic PulseEcho instrument to accurately identify critical velocities in a horizontal slurry transport pipeline for slurries containing particles with a mean particle diameter of >50 micrometers. In 2011 the PulseEcho instrument was further evaluated to identify critical velocities for slurries containing fast-settling, high-density particles with a mean particle diameter of <15 micrometers. This two-year evaluation has demonstrated the ability of the ultrasonic PulseEcho instrument to detect the onset of critical velocity for a broad range of physical and rheological slurry properties that are likely encountered during the waste feed transfer operations between the Hanford tank farms and the WTP. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2015

Solid Rocket Motor Combustion Instability Modeling in COMSOL Multiphysics

Combustion instability modeling of Solid Rocket Motors (SRM) remains a topic of active research. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process, acoustics, and steady-state gas dynamics. Recent advances in defining the energy transport of disturbances within steady flow-fields have been applied by combustion stability modelers to improve the analysis framework. Employing this more accurate global energy balance requires a higher fidelity model of the SRM flow-field and acoustic mode shapes. The current industry standard analysis tool utilizes a one dimensional analysis of the time dependent fluid dynamics along with a quasi-three dimensional propellant grain regression model to determine the SRM ballistics. The code then couples with another application that calculates the eigenvalues of the one dimensional homogenous wave equation. The mean flow parameters and acoustic normal modes are coupled to evaluate the stability theory developed and popularized by Culick. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The current study employs the COMSOL Multiphysics finite element framework to model the steady flow-field parameters and acoustic normal modes of a generic SRM. This work builds upon previous efforts to verify the use of the acoustic velocity potential equation (AVPE) laid out by Campos. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, del squared psi - (lambda/c) squared psi - M x [M x del((del)(psi))] - 2((lambda)(M)/c + M x del(M) x (del)(psi) - 2(lambda)(psi)[M x del(1/c)] = 0. with M as the Mach vector, c as the speed of sound, and λ as the complex eigenvalue. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluates the gas flow inside of a SRM using St. Robert's law to model the solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are verified by comparing the pertinent ballistics parameters with the industry standard code outputs (i.e. pressure drop, axial velocity, exit velocity). These results are then used by the coefficient form of the mathematics module to determine the complex eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. The one way coupled analysis is perform four times utilizing geometries determined through traditional SRM modeling procedures. The results of the steady-state CFD and AVPE analyses are used to calculate the linear acoustic growth rate as is defined by Flandro and Jacob. In order to verify the process implemented within COMSOL we first employ the Culick theory and compare the results with the industry standard. After the process is verified, the Flandro/Jacob energy balance theory is employed and results displayed.

Fischbach, S. R.↗

DOE OSTI2018

Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling

Deregulated RAS activity, often the result of mutation, is implicated in approximately 30% of all human cancers. Despite this statistic, no clinically successful treatment for RAS-driven tumors has yet been developed. One approach for modulating RAS activity is to target and affect the activity of proteins that interact with RAS, such as the guanine nucleotide exchange factor (GEF) son of sevenless homologue 1 (SOS1). In this paper, we report on structure–activity relationships (SAR) in an indole series of compounds. Using structure-based design, we systematically explored substitution patterns on the indole nucleus, the pendant amino acid moiety, and the linker unit that connects these two fragments. Best-in-class compounds activate the nucleotide exchange process at submicromolar concentrations in vitro, increase levels of active RAS–GTP in HeLa cells, and elicit signaling changes in the mitogen-activated protein kinase–extracellular regulated kinase (MAPK–ERK) pathway, resulting in a decrease in pERK1/2 T202/Y204 protein levels at higher compound concentrations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗