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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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The purpose of this CRADA is to combine industrial expertise in wood pulping with national laboratory expertise in high-performance computer simulation to gain fundamental understanding of softwood pretreatment required to improve the efficiency of kraft pulping.
The chirality of amino acids in extraterrestrial materials may provide an insight into the origin of the essential L-enantiopure amino acids in the terrestrial biosphere. In 2020, the Hayabusa2 mission succeeded in bringing back surface materials from the C-type asteroid (162173) Ryugu to the Earth. Amino acids were one of the targeted organic molecules to be studied in the Ryugu samples. To analyze the various structural isomers of amino acids, which were expected to be present, from the limited amount of the returned samples, the development of a highly-sensitive and selective analytical method was necessary. In the present study, a three-dimensional high-performance liquid chromatography (3D-HPLC) system has been developed for the enantioselective determination of five proteinogenic and three non-proteinogenic amino acids in the Ryugu samples, in which amino acids in the sample were separated by reversed-phase, anion-exchange and enantioselective columns after the fluorescence derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiozole. The applicability of the analytical system to the extraterrestrial samples was evaluated by analyzing several types of carbonaceous meteorites before applying the system to the Ryugu samples. In the analysis of the Ryugu samples, all of the target amino acids were successfully determined quantitatively. Non-proteinogenic amino acids including 2-amino-n-butyric acid, isovaline and norvaline, rarely present in the terrestrial environment, were found as almost racemic mixtures with 47.1 to 55.2%L.
High-altitude turbojet performance is adversely affected by the effects of low air density. This performance loss is evaluated as a Reynolds number effect, which represents the increased significance of high fluid viscous forces in relation to dynamic fluid forces as the Reynolds number is decreased. An analytical and experimental investigation of the effects of low Reynolds number operation on a single-stage, high-work-output turbine with a downstream stator was carried out at Reynolds numbers of 182,500, 39,600, and 23,000, based on average rotor-design flow conditions. At low Reynolds numbers and turbulent flow conditions, increased viscous losses caused decreased effective flow area, and thus decreased weight flow, torque, and over-all efficiency at a given equivalent speed and pressure ratio. Decreasing the Reynolds number from 182,500 to 23,000 at design equivalent speed resulted in a 5.00-point loss in peak over-all turbine efficiency for both theory and experiment. The choking equivalent weight flow decreased 2.30 percent for these conditions. Limiting loading work output was reached at design equivalent speed for all three Reynolds numbers. The value of limiting loading work output at design speed decreased 4.00 percent as Reynolds number was decreased from 182,500 to 23,000. A theoretical performance-prediction method using basic boundary-layer relations gave good agreement with experimental results over most of the performance range at a given Reynolds number if the experimental and analytical design operating conditions were carefully matched at the highest Reynolds number with regard to design performance parameters. High viscous losses in the inlet stator and rotor prevented the attainment of design equivalent work output at the lowest Reynolds number of 23,000.
Contemporary discussions of planetary defense involve analyzing the risks posed by smaller sized, 20 to 200 m diameter, asteroids which are capable of breaking up in the atmosphere and generating a blast wave. Consequence assessments for this size class of asteroids are performed through fast-running analytic or semi-analytic models which are informed by high-fidelity hydrocode simulations of asteroid entry and breakup. However, insufficient historical data necessitates validating the independent physical processes which dominate airburst events. Here, the Fluid Solid Interface Smoothed Particle Hydrodynamics solver was previously used by Pearl et al. in 2023 to model the Chelyabinsk airburst and is used here to perform a series of validation simulations. The first effort involves modeling a cylinder in a hypersonic flow and comparing the bow shock geometry to that predicted by analytic theory. The second effort involves modeling the separation of two spherical bodies in supersonic flow and validating against experimental footage. Combined, these exercises demonstrate the ability of the code to model the flight-path of interacting solid bodies in a hypersonic flow.
Multiple ERI (Electron Repulsion Integral) tensor contractions (METC) with several matrices are ubiquitous in quantum chemistry. In response theories, the contraction operation, rather than ERI computations, can be the major bottleneck, as its computational demands are proportional to the multiplicatively combined contributions of the number of excited states and the kernel pre-factors. Here, this paper presents several high-performance strategies for METC. Optimal approaches involve either the data layout reformations of interim density and Fock matrices, the introduction of intermediate ERI quartet buffer, and loop-reordering optimization for a higher cache hit rate. The combined strategies remarkably improve the performance of the MRSF (mixed reference spin flip)-TDDFT (time-dependent density functional theory) by nearly 300%. The results of this study are not limited to the MRSF-TDDFT method and can be applied to other METC scenarios.
We calculate the fully differential medium-induced radiative spectrum at next-to-leading order (NLO) accuracy within the Improved Opacity Expansion (IOE) framework. This scheme allows us to gain analytical control of the radiative spectrum at low and high gluon frequencies simultaneously. The high frequency regime can be obtained in the standard opacity expansion framework in which the resulting power series diverges at the characteristic frequency ω c ~ q^L 2 . In the IOE, all orders in opacity are resumed systematically below ωc yielding an asymptotic series controlled by logarithmically suppressed remainders down to the thermal scale T « ω c , while matching the opacity expansion at high frequency. Furthermore, we demonstrate that the IOE at NLO accuracy reproduces the characteristic Coulomb tail of the single hard scattering contribution as well as the Gaussian distribution resulting from multiple soft momentum exchanges. Finally, we compare our analytic scheme with a recent numerical solution, that includes a full resummation of multiple scatterings, for LHC-inspired medium parameters. Furthermore, we find a very good agreement both at low and high frequencies showcasing the performance of the IOE which provides for the first time accurate analytic formulas for radiative energy loss in the relevant perturbative kinematic regimes for dense media.
The emerging trend of the convergence of high performance computing (HPC), machine learning/deep learning (ML/DL), and big data analytics presents a host of challenges for large-scale computing campaigns that seek best practices to interleave traditional scientific simulation-based workloads with ML/DL models. A portfolio of systematic approaches to incorporate deep learning into modeling and simulation serves a vital need when we support AI for science at a computing facility. In this paper, we evaluate several strategies for deploying deep learning surrogate models in a representative physics application on supercomputers at the Oak Ridge Leadership Computing Facility (OLCF). We discuss a set of recommended deployment architectures and implementation approaches. We analyze and evaluate these alternatives and show their performance and scalability up to 1000 GPUs on two mainstream platforms equipped with different deep learning hardware and software stacks.
The rotational energy is separated from vibrational energy in the two-particle, steady-state wave equation and to first order the solutions are harmonic oscillator functions. The classical phase integral gives a partition function valid only at high temperature, but the quantum summation is easily performed to give analytic expressions for all the thermodynamic properties of the harmonic oscillator at all temperatures. Anharmonic effects are treated by small perturbation solutions to the wave equation and the relation between energy levels and a series expansion of the perturbation potential is derived. Next, the quantum solutions for an oscillator with a Morse-function potential are derived in terms of Laguerre polynomials.
The propellant management device that was successfully used in the Viking Orbiter spacecraft was selected for the main propulsion system of the Teleoperator Retrieval System (TRS). Due to differences in the missions and different propellants, the operation of this sheet metal vane device required reverification for the TRS application. An analytical investigation was performed considering the adverse acceleration environment and the high contract angle of the hydrazine propellant. Drop tower tests demonstrated that the device would provide propellant acquisition while the TRS was docked with Skylab, but its operation would have to be supplemented through propellant settling when free-flying.
Integrated High Performance Turbine Engine Technology Initiative (IHPTET) goals require a strong analytical base. Effective analysis of composite materials is critical to life analysis and structural optimization. Accurate life prediction for all material systems is critical. User friendly systems are also desirable. Post processing of results is very important. The IHPTET goal is to double turbine engine propulsion capability by the year 2003. Fifty percent of the goal will come from advanced materials and structures, the other 50 percent will come from increasing performance. Computer programs are listed.
This paper presents a physics-based model describing the current-induced formation of a parasitic barrier in the conduction band at the base collector heterojunction in npn SiGe heterojunction bipolar transistors (HBTs). Due to the valence band discontinuity DELTA E(sub v), hole injection into the collector at the onset of base pushout is impeded, which gives rise to formation of a barrier to electron transport which degrades the device's high frequency performance. In this paper, we present results from an analytical model for the height of the barrier calculated from the device's structure as a function of the collector junction bias and collector current density.
This paper reports Part II of a two part effort that is intended to delineate the relationship between reliability and fault tolerant control in a quantitative manner. Reliability properties peculiar to fault-tolerant control systems are emphasized, such as the presence of analytic redundancy in high proportion, the dependence of failures on control performance, and high risks associated with decisions in redundancy management due to multiple sources of uncertainties and sometimes large processing requirements. As a consequence, coverage of failures through redundancy management can be severely limited. The paper proposes to formulate the fault tolerant control problem as an optimization problem that maximizes coverage of failures through redundancy management. Coverage modeling is attempted in a way that captures its dependence on the control performance and on the diagnostic resolution. Under the proposed redundancy management policy, it is shown that an enhanced overall system reliability can be achieved with a control law of a superior robustness, with an estimator of a higher resolution, and with a control performance requirement of a lesser stringency.
A liquid-chromatography technique has been developed for use in the quantitative analysis of urea (and of other nonvolatile organic compounds typically found with urea) dissolved in water. The technique involves the use of a column that contains an ion-exclusion resin; heretofore, this column has been sold for use in analyzing monosaccharides and food softeners, but not for analyzing water supplies. The prior technique commonly used to analyze water for urea content has been one of high-performance liquid chromatography (HPLC), with reliance on hydrophobic interactions between analytes in a water sample and long-chain alkyl groups bonded to an HPLC column. The prior technique has proven inadequate because of a strong tendency toward co-elution of urea with other compounds. Co-elution often causes the urea and other compounds to be crowded into a narrow region of the chromatogram (see left part of figure), thereby giving rise to low chromatographic resolution and misidentification of compounds. It is possible to quantitate urea or another analyte via ultraviolet- and visible-light absorbance measurements, but in order to perform such measurements, it is necessary to dilute the sample, causing a significant loss of sensitivity. The ion-exclusion resin used in the improved technique is sulfonated polystyrene in the calcium form. Whereas the alkyl-chain column used in the prior technique separates compounds on the basis of polarity only, the ion-exclusion-resin column used in the improved technique separates compounds on the basis of both molecular size and electric charge. As a result, the degree of separation is increased: instead of being crowded together into a single chromatographic peak only about 1 to 2 minutes wide as in the prior technique, the chromatographic peaks of different compounds are now separated from each other and spread out over a range about 33 minutes wide (see right part of figure), and the urea peak can readily be distinguished from the other peaks. Although the analysis takes more time in the improved technique, this disadvantage is offset by two important advantages: Sensitivity is increased. The minimum concentration of urea that can be measured is reduced (to between 1/5 and 1/3 of that of the prior technique) because it is not necessary to dilute the sample. The separation of peaks facilitates the identification and quantitation of the various compounds. The resolution of the compounds other than urea makes it possible to identify those compounds by use of mass spectrometry.
The design of a failure detection and identification system consists of designing a robust residual generation process and a high performance decision making process. The design of these two processes are examined separately. Residual generation is based on analytical redundancy. Redundancy relations that are insensitive to modelling errors and noise effects are important for designing robust residual generation processes. The characterization of the concept of analytical redundancy in terms of a generalized parity space provides a framework in which a systematic approach to the determination of robust redundancy relations are developed. The Bayesian approach is adopted for the design of high performance decision processes. The FDI decision problem is formulated as a Bayes sequential decision problem. Since the optimal decision rule is incomputable, a methodology for designing suboptimal rules is proposed. A numerical algorithm is developed to facilitate the design and performance evaluation of suboptimal rules.
The operation of high speed gearing systems in the transmissions of tiltrotor aircraft has an effect on overall propulsion system efficiency. Recent work has focused on many aspects of high-speed helical gear trains as would be used in tiltrotor aircraft such as operational characteristics, comparison of analytical predictions to experimental data and the affect of superfinishing on transmission performance. Baseline tests of an aerospace quality system have been conducted in the NASA Glenn High-Speed Helical Gear Train Test Facility and have been described in earlier studies. These earlier tests had utilized single helical gears. The results that will be described in this study are those attained using double helical gears. This type of gear mesh can be configured in this facility to either pump the air-oil environment from the center gap between the meshing gears to the outside of tooth ends or in the reverse direction. Tests were conducted with both inward and outward air-oil pumping directions. Results are compared to the earlier baseline results of single helical gears.
The operation of high speed gearing systems in the transmissions of tiltrotor aircraft has an effect on overall propulsion system efficiency. Recent work has focused on many aspects of high-speed helical gear trains as would be used in tiltrotor aircraft such as operational characteristics, comparison of analytical predictions to experimental data and the affect of superfinishing on transmission performance. Baseline tests of an aerospace quality system have been conducted in the NASA Glenn High-Speed Helical Gear Train Test Facility and have been described in earlier studies. These earlier tests had utilized single helical gears. The results that will be described in this study are those attained using double helical gears. This type of gear mesh can be configured in this facility to either pump the air-oil environment from the center gap between the meshing gears to the outside of tooth ends or in the reverse direction. Tests were conducted with both inward and outward air-oil pumping directions. Results are compared to the earlier baseline results of single helical gears.
Analytical calculations are performed to determine the radiation dose rate and total dose to the crew of a gas-core nuclear rocket from the fission fragments located throughout the plume volume. The radiation dose from the plume fission fragments to two crew locations of 100 and 200 meters from the nozzle exit are calculated. It is found that, in the case of the most probable fission fragment retention time of 100 seconds, the crew must be protected from the radiation dose. Five centimeters of lead shielding would reduce the radiation dose by two orders of magnitude thereby protecting the crew. The increase in vehicle weight would be insignificant (7150 kg to a vehicle gross weight of 0.94 million kg).
An experimental and analytical fatigue life study was performed on the Grainex Mar-M 247 disk used in NASA s Turbine Seal Test Facility. To preclude fatigue cracks from growing to critical size in the NASA disk bolt holes due to cyclic loading at severe test conditions, a retirement-for-cause methodology was adopted to detect and monitor cracks within the bolt holes using eddy-current inspection. For the NASA disk material that was tested, the fatigue strain-life to crack initiation at a total strain of 0.5 percent, a minimum to maximum strain ratio of 0, and a bolt hole temperature of 649 C was calculated to be 665 cycles using -99.95 percent prediction intervals. The fatigue crack propagation life was calculated to be 367 cycles after implementing a safety factor of 2 on life. Thus, the NASA disk bolt hole total life or retirement life was determined to be 1032 cycles at a crack depth of 0.501 mm. An initial NASA disk bolt hole inspection at 665 cycles is suggested with 50 cycle inspection intervals thereafter to monitor fatigue crack growth.