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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 469 records · Page 26

Foundational Concepts in Simulation-Based Resilience Analysis and Design

Resilience is a topic of increasing interest–with ever-present calls from policymakers to increase the resilience of complex systems and infrastructure. However, resilience as a concept can be confusing, because of a lack of a common unified definition and frame of reference. Sometimes it can appear as if resilience analysis is merely duplicating other, more mature fields such as safety, reliability, or risk, while other times it seems as if resilience is providing an “alternative” view with limited rigor. To better understand the resilience concept (and its relation to the broader field of risk management), this paper will present the perspective of simulation-based resilience analysis and design, including some of the foundational precepts and resultant concepts defining the resilience concept. It will further present the motivation for using simulation to understand resilience and highlight some ongoing work and research challenges in this area. From this frame of reference, one can better understand the field of resilience, including how different aspects and definitions of resilience relate to each other, and how resilience relates to broader design considerations and practices.

resilience↗

Hidden diversity: Transcriptomic and photosynthetic variation among common ‘wild type’ Chlamydomonas strains

The unicellular green alga Chlamydomonas reinhardtii is a widely studied reference organism, particularly in photosynthesis research. It employs photoprotective mechanisms, such as state transitions (ST) and non-photochemical quenching (NPQ), to cope with rapid light changes. Most widely used strains share a recent common ancestor yet differ by up to ~50 000 nuclear variants—genetic diversity that is often overlooked. Even among ‘wild type’ strains, we document significant phenotypic differences, such as pigment accumulation, and nutrient utilization. To elucidate the basis for this variation, we compared transcriptomes and physiological traits of seven commonly used laboratory strains, including the reference strain and the CLiP mutant library parental strain. Despite identical growth conditions, ~40% of genes were differentially expressed between strains. Most of these differences are attributable to changes that have accrued during laboratory propagation, and adverse conditions may have driven transcriptomic drift. At the physiological level, we catalog the range of strain-dependent responses related to photosynthesis and high light (HL) acclimation. Specifically, (i) all strains develop NPQ upon HL exposure, but to various degrees, (ii) they show a substantial variation in ST capacity, and (iii) they regulate the composition of the photosynthetic apparatus differently. We find that NPQ levels do not correlate with LHCSR3 expression, suggesting an additional layer of NPQ regulation. STs are constantly activated and independent of growth light intensities. Overall, our findings highlight significant strain-to-strain differences in virtually all photosynthetic parameters, emphasizing the importance of careful strain selection in future research endeavors.

59 BASIC BIOLOGICAL SCIENCES↗

Liquid Rocket Booster (LRB) for the Space Transportation System (STS) systems study. Appendix F: Performance and trajectory for ALS/LRB launch vehicles

By simply combining two baseline pump-fed LOX/RP-1 Liquid Rocket Boosters (LRBs) with the Denver core, a launch vehicle (Option 1 Advanced Launch System (ALS)) is obtained that can perform both the 28.5 deg (ALS) mission and the polar orbit ALS mission. The Option 2 LRB was obtained by finding the optimum LOX/LH2 engine for the STS/LRB reference mission (70.5 K lb payload). Then this engine and booster were used to estimate ALS payload for the 28.5 deg inclination ALS mission. Previous studies indicated that the optimum number of STS/LRB engines is four. When the engine/booster sizing was performed, each engine had 478 K lb sea level thrust and the booster carried 625,000 lb of useable propellant. Two of these LRBs combined with the Denver core provided a launch vehicle that meets the payload requirements for both the ALS and STS reference missions. The Option 3 LRB uses common engines for the cores and boosters. The booster engines do not have the nozzle extension. These engines were sized as common ALS engines. An ALS launch vehicle that has six core engines and five engines per booster provides 109,100 lb payload for the 28.5 deg mission. Each of these LOX/LH2 LRBs carries 714,100 lb of useable propellant. It is estimated that the STS/LRB reference mission payload would be 75,900 lb.

Source record↗

Chapter 14: Heat and Mass Transfer

Fluidized beds are used in a variety of processes due to their excellent heat and mass transfer properties. Heat transfer in fluidized beds can refer to interphase heat transfer, or more commonly to bed-to-surface heat transfer. Heat transfer between bubble phase and dense phase can be characterized by an interphase heat transfer coefficient. This chapter elaborates the derivation of the interphase heat transfer coefficient by an analogy to mass transfer. Mass transfer in fluidized beds usually refers to gas-to-particle mass transfer, or interphase mass transfer, where a component migrates from particles to fluids, or vice versa. The chapter describes the two major components of the interphase mass transfer: particle and fluid mass transfer in the dense phase; and bubble- to dense-phase mass transfer.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗

Space based topographic mapping experiment using Seasat synthetic aperture radar and LANDSAT 3 return beam vidicon imagery

A technique for producing topographic information is described which is based on same side/same time viewing using a dissimilar combination of radar imagery and photographic images. Common geographic areas viewed from similar space reference locations produce scene elevation displacements in opposite direction and proper use of this characteristic can yield the perspective information necessary for determination of base to height ratios. These base to height ratios can in turn be used to produce a topographic map. A test area covering the Harrisburg, Pennsylvania region was observed by synthetic aperture radar on the Seasat satellite and by return beam vidicon on by the LANDSAT - 3 satellite. The techniques developed for the scaling re-orientation and common registration of the two images are presented along with the topographic determination data. Topographic determination based exclusively on the images content is compared to the map information which is used as a performance calibration base.

Mader, G. L.↗

Study of LH2-fueled topping cycle engine for aircraft propulsion

An analytical investigation was made of a topping cycle aircraft engine system which uses a cryogenic fuel. This system consists of a main turboshaft engine which is mechanically coupled (by cross-shafting) to a topping loop which augments the shaft power output of the system. The thermodynamic performance of the topping cycle engine was analyzed and compared with that of a reference (conventional-type) turboshaft engine. For the cycle operating conditions selected, the performance of the topping cycle engine in terms of brake specific fuel consumption (bsfc) was determined to be about 12 percent better than that of the reference turboshaft engine. Engine weights were estimated for both the topping cycle engine and the reference turboshaft engine. These estimates were based on a common shaft power output for each engine. Results indicate that the weight of the topping cycle engine is comparable to that of the reference turboshaft engine.

Turney, G. E.↗

Study of a LH2-fueled topping cycle engine for aircraft propulsion

An analytical investigation was made of a topping cycle aircraft engine system which uses a cryogenic fuel. This system consists of a main turboshaft engine which is mechanically coupled (by cross-shafting) to a topping loop which augments the shaft power output of the system. The thermodynamic performance of the topping cycle engine was analyzed and compared with that of a reference (conventional-type) turboshaft engine. For the cycle operating conditions selected, the performance of the topping cycle engine in terms of brake specific fuel consumption (bsfc) was determined to be about 12 percent better than that of the reference turboshaft engine. Engine weights were estimated for both the topping cycle engine and the reference turboshaft engine. These estimates were based on a common shaft power output for each engine. Results indicate that the weight of the topping cycle engine is comparable to that of the reference turboshaft engine. Previously announced in STAR as N83-34942

Turney, G. E.↗

Toward Machine Learning-Driven Mass Spectrometric Identification of Trichothecenes in the Absence of Standard Reference Materials

While a significant body of work exists on the detection of commonly known trichothecene toxins, biological, environmental, and other transformational processes can generate many under-characterized and unknown modified trichothecenes. Lacking both analytical reference standards and associated mass spectral databases, identification of these modified compounds reflects both a challenge and a critical gap from forensic and public health perspectives. Here we report here the application of machine learning (ML) techniques toward identification of discriminative fragment ions from mass spectrometric data that can be exploited to detect evidence of type A and B trichothecenes. The goal of this work is to establish a new method for the identification of unknown, though structurally similar trichothecenes, by leveraging objective ML techniques. Discriminative fragments derived from a series of gradient-boosted machine learners are then used to develop ML-driven precursor ion scan (PIS) methods on a triple quadrupole mass spectrometer (QQQ) for screening of “unknown unknown” trichothecenes. Specifically, we apply the PIS method to a laboratory-synthesized trichothecene, a first step in demonstrating the power of alternative, machine learning-driven mass spectrometric methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of a topping-cycle, aircraft, gas-turbine-engine system which uses cryogenic fuel

A topping-cycle aircraft engine system which uses a cryogenic fuel was investigated. This system consists of a main turboshaft engine that is mechanically coupled (by cross-shafting) to a topping loop, which augments the shaft power output of the system. The thermodynamic performance of the topping-cycle engine was analyzed and compared with that of a reference (conventional) turboshaft engine. For the cycle operating conditions selected, the performance of the topping-cycle engine in terms of brake specific fuel consumption (bsfc) was determined to be about 12 percent better than that of the reference turboshaft engine. Engine weights were estimated for both the topping-cycle engine and the reference turboshaft engine. These estimates were based on a common shaft power output for each engine. Results indicate that the weight of the topping-cycle engine is comparable with that of the reference turboshaft engine.

Turney, G. E.↗

A novel approach to mitigating the potential release of radioisotopes under fire conditions - enhancing fire resiliency of radiological contamination fixatives during deactivation & decommissioning activities

Savannah River National Laboratory (SRNL), in close collaboration with the Florida International University Applied Research Center (FIU ARC), successfully executed a technology development activity on behalf of the Department of Energy, Office of Environmental Management (DOE EM). The purpose of the activity was to improve the capability of fixative technologies in immobilizing residual contamination when exposed to thermal stressors as postulated in accident scenarios in Basis for Interim Operations (BIO) documents across the DOE EM complex. The effort resulted in the test and evaluation of a down-selected, commercial-off-the-shelf (COTS) intumescent technology in a radioactive environment at the Savannah River Site (SRS) Building 235-F Plutonium Fuel Form (PuFF) Facility and highlighted the potential use of this technology as a stand-alone, fire retardant fixative. Furthermore, this activity highlighted significant shortfalls in common fixatives currently used to support decommissioning activities and brought to the forefront the need for a methodical, uniformed approach to certifying fixative technologies for operational use in Deactivation and Decommissioning (D&D) activities. An essential component of this research was to evaluate the state of industry fixatives currently in use and set the foundation for comparison to alternative technological solutions. A baseline of five (5) commonly used fixatives and decontamination gels (hereafter collectively referred to as fixatives) was conducted, and notable shortfalls and deficiencies were revealed, particularly when exposed to thermal, water, and other environmental stressors. At temperatures as low as 300 °F - 400 °F (148.89 °C – 204.44 °C), all commonly used fixatives melted from the substrates within 3-5 minutes of exposure, resulting in contaminant transport. Significant degradation in terms of mass loss, desiccation, and off-gassing occurred, and the chemical breakdown of the polymer was so complete researchers assessed there would likely have been a release of residual contamination. Additional vulnerabilities became evident when exposed to water immersion and high humidity; existing fixatives took up water, swelling and frequently delaminating from the substrate, once again increasing the likelihood of a contaminant release.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Improvement of scanning radiometer performance by digital reference averaging

Most radiometers utilize a calibration technique in which measurements of a known reference are subtracted from measurements of an unknown source so that common-mode bias errors are cancelled. When a radiometer is scanned over a varying scene, it produces a sequence of outputs, each being proportional to the difference between the reference and the corresponding input. A reference averaging technique is presented that employs a simple digital algorithm which exploits the asymmetry between the time-variable scene inputs and the nominally constant reference input by averaging many reference measurements to decrease the statistical uncertainty in the reference value. This algorithm is, therefore, optimized by an asymmetric chopping sequence in which the scene is viewed for more than one-half of the duty cycle (unlike the analog Dicke technique). Reference averaging algorithms are well within the capabilities of small microprocessors. Although this paper develops the technique for microwave radiometry, it may be beneficial for any system which measures a large number of unknowns relative to a known reference in the presence of slowly varying common-mode errors.

Bremer, J. C.↗

Comparison of GPS and GLONASS common-view time transfers

It was already shown than even with a simple daily averaging of GLONASS data at each site, continental GLONASS time transfer can be achieved at a level of several tens of nanoseconds. A further step is to carry out observations of GLONASS satellites by the common-view method. A comparison of GPS and GLONASS common-view time transfers between Russia and Western Europe are reported. At each site, a GPS receiver and a GLONASS receiver are connected to the same atomic clock. Both GPS receivers are of NBS type and the GLONASS receivers are of type A-724. As GPS common-view time transfer between Sevres and Mendeleevo is accomplished at a level of a few nanoseconds in precision, it gives an excellent reference with which to evaluate the performance of GLONASS common-view time transfer.

Lewandowski, W.↗

High-Voltage-Input Level Translator Using Standard CMOS

proposed integrated circuit would translate (1) a pair of input signals having a low differential potential and a possibly high common-mode potential into (2) a pair of output signals having the same low differential potential and a low common-mode potential. As used here, "low" and "high" refer to potentials that are, respectively, below or above the nominal supply potential (3.3 V) at which standard complementary metal oxide/semiconductor (CMOS) integrated circuits are designed to operate. The input common-mode potential could lie between 0 and 10 V; the output common-mode potential would be 2 V. This translation would make it possible to process the pair of signals by use of standard 3.3-V CMOS analog and/or mixed-signal (analog and digital) circuitry on the same integrated-circuit chip. A schematic of the circuit is shown in the figure. Standard 3.3-V CMOS circuitry cannot withstand input potentials greater than about 4 V. However, there are many applications that involve low-differential-potential, high-common-mode-potential input signal pairs and in which standard 3.3-V CMOS circuitry, which is relatively inexpensive, would be the most appropriate circuitry for performing other functions on the integrated-circuit chip that handles the high-potential input signals. Thus, there is a need to combine high-voltage input circuitry with standard low-voltage CMOS circuitry on the same integrated-circuit chip. The proposed circuit would satisfy this need. In the proposed circuit, the input signals would be coupled into both a level-shifting pair and a common-mode-sensing pair of CMOS transistors. The output of the level-shifting pair would be fed as input to a differential pair of transistors. The resulting differential current output would pass through six standoff transistors to be mirrored into an output branch by four heterojunction bipolar transistors. The mirrored differential current would be converted back to potential by a pair of diode-connected transistors, which, by virtue of being identical to the input transistors, would reproduce the input differential potential at the output

Yager, Jeremy A.↗

A Guide to Nonaqueous Electrochemistry of f-Element Complexes

Electrochemistry is a powerful tool for assessing and understanding the redox chemistry of molecular complexes. Cyclic voltammetry enables the f-element community to study molecules in unusually high or low oxidation states, which potentially pose important broad-scope questions of electronic structure. In the pursuit of boundary-pushing compounds, reactive air- and moisture-sensitive species are often encountered, which can be challenging to characterize, especially when they are chemically incompatible with certain solvents, electrolytes, or electrodes or when their potentials lie outside of common electrochemical windows. Nonaqueous solvents and pseudo reference electrodes complicate many of the standard practices in acquiring high-quality and reproducible electrochemical data. This guide presents a detailed discussion of selecting appropriate cell conditions and referencing and addresses metrics for evaluating electrochemical and chemical reversibility. These methodological approaches have been extended to best practices for the electrochemical analysis of radioactive transuranic complexes.

Electrodes↗

phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids

Phosphorylated amino acids are involved in many cell regulatory networks; proteins containing these post-translational modifications are widely studied both experimentally and computationally. Simulations are used to investigate a wide range of structural and dynamic properties of biomolecules, such as ligand binding, enzyme-reaction mechanisms, and protein folding. However, the development of force field parameters for the simulation of proteins containing phosphorylated amino acids using the Amber program has not kept pace with the development of parameters for standard amino acids, and it is challenging to model these modified amino acids with accuracy comparable to proteins containing only standard amino acids. In particular, the popular ff14SB and ff19SB models do not contain parameters for phosphorylated amino acids. Here, the dihedral parameters for the side chains of the most common phosphorylated amino acids are trained against reference data from QM calculations adopting the ff14SB approach, followed by validation against experimental data. Finally, library files and corresponding parameter files are provided, with versions that are compatible with both ff14SB and ff19SB.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Importance of charge self-consistency in first-principles description of strongly correlated systems

First-principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correlations become stronger often embedding methods based on first-principles approaches are used to better treat the correlations by solving a suitably chosen many-body Hamiltonian with a higher level theory. The success of such embedding theories, often referred to as second-principles, is commonly measured by the quality of self-energy Σ which is either a function of energy or momentum or both. However, Σ should, in principle, also modify the electronic eigenfunctions and thus change the real space charge distribution. While such practices are not prevalent, some works that use embedding techniques do take into account these effects. In such cases, choice of partitioning, of the parameters defining the correlated Hamiltonian, of double-counting corrections, and the adequacy of low-level Hamiltonian hosting the correlated subspace hinder a systematic and unambiguous understanding of such effects. Further, for a large variety of correlated systems, strong correlations are largely confined to the charge sector. Then an adequate nonlocal low-order theory is important, and the high-order local correlations embedding contributes become redundant. Here we study the impact of charge self-consistency within two example cases, TiSe 2 and CrBr 3 , and show how real space charge re-distribution due to correlation effects taken into account within a first-principles Green’s function-based many-body perturbative approach is key in driving qualitative changes to the final electronic structure of these materials.

36 MATERIALS SCIENCE↗

A database of synthetic inelastic neutron scattering spectra from molecules and crystals

Abstract Inelastic neutron scattering (INS) is a powerful tool to study the vibrational dynamics in a material. The analysis and interpretation of the INS spectra, however, are often nontrivial. Unlike diffraction, for which one can quickly calculate the scattering pattern from the structure, the calculation of INS spectra from the structure involves multiple steps requiring significant experience and computational resources. To overcome this barrier, a database of INS spectra consisting of commonly seen materials will be a valuable reference, and it will also lay the foundation of advanced data-driven analysis and interpretation of INS spectra. Here we report such a database compiled for over 20,000 organic molecules and over 10,000 inorganic crystals. The INS spectra are obtained from a streamlined workflow, and the synthetic INS spectra are also verified by available experimental data. The database is expected to greatly facilitate INS data analysis, and it can also enable the utilization of advanced analytics such as data mining and machine learning. Notice: This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Programming liquid crystal elastomers for multistep ambidirectional deformability

Ambidirectionality, which is the ability of structural elements to move beyond a reference state in two opposite directions, is common in nature. However, conventional soft materials are typically limited to a single, unidirectional deformation unless complex hybrid constructs are used. We exploited the combination of mesogen self-assembly, polymer chain elasticity, and polymerization-induced stress to design liquid crystalline elastomers that exhibit two mesophases: chevron smectic C (cSmC) and smectic A (SmA). Inducing the cSmC-SmA–isotropic phase transition led to an unusual inversion of the strain field in the microstructure, resulting in opposite deformation modes (e.g., consecutive shrinkage or expansion and right-handed or left-handed twisting and tilting in opposite directions) and high-frequency nonmonotonic oscillations. Further, this ambidirectional movement is scalable and can be used to generate Gaussian transformations at the macroscale.

36 MATERIALS SCIENCE↗