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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Consequences of bounds on longitudinal emittance growth for the design of recirculating linear accelerators

Recirculating linear accelerators (RLAs) are a cost-effective method for the acceleration of muons for a muon collider in energy ranges from a couple GeV to a few 10s of GeV. Muon beams generally have longitudinal emittances that are large for the RF frequency that is used, and it is important to limit the growth of that longitudinal emittance. This has particular consequences for the arc design of the RLAs. I estimate the longitudinal emittance growth in an RLA arising from the RF nonlinearity. Given an emittance growth limitation and other design parameters, one can then compute the maximum momentum compaction in the arcs. I describe how to obtain an approximate arc design satisfying these requirements based on the deisgn in [1]. Longitudinal dynamics also determine the energy spread in the beam, and this has consequences on the transverse phase advance in the linac. This in turn has consequences for the arc design due to the need to match beta functions. I combine these considerations to discuss design parameters for the acceleration of muons for a collider in an RLA from 5 to 63 GeV.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Dose Consequence and Probabilistic Risk Assessment Integration into Digital Documented Safety Analysis

This is an intern poster presentation. The current reactor authorization process is complex and error prone. The development of a digital Documented Safety Analysis has been proposed to provide an automated and integrated solution to enhance the design and authorization process. The digital DSA will consist of interlinked models, analyses, and reports, all of which will be updated using automated workflows when design changes are made. This poster examines the integration of the probabilistic risk assessment (PRA) with the transient and dose consequence analyses. A PRA for a generic high temperature gas-cooled reactor (HTGR) has been constructed which will drive the input parameters for a transient analysis model currently being constructed. Dose consequence will be determined using the results of the transient analysis and the Radiation Safety Analysis Computer (RSAC) code. Dose consequence data will then be input back into the PRA to drive design parameters.

42 ENGINEERING↗
DOE OSTI2017

Economic consequences of aviation system disruptions: A reduced-form computable general equilibrium analysis

The state of the art approach to economic consequence analysis (ECA) is computable general equilibrium (CGE) modeling. However, such models contain thousands of equations and cannot readily be incorporated into computerized systems used by policy analysts to yield estimates of economic impacts of various types of transportation system failures due to natural hazards, human related attacks or technological accidents. This paper presents a reduced-form approach to simplify the analytical content of CGE models to make them more transparent and enhance their utilization potential. The reduced-form CGE analysis is conducted by first running simulations one hundred times, varying key parameters, such as magnitude of the initial shock, duration, location, remediation, and resilience, according to a Latin Hypercube sampling procedure. Statistical analysis is then applied to the “synthetic data” results in the form of both ordinary least squares and quantile regression. The analysis yields linear equations that are incorporated into a computerized system and utilized along with Monte Carlo simulation methods for propagating uncertainties in economic consequences. Although our demonstration and discussion focuses on aviation system disruptions caused by terrorist attacks, the approach can be applied to a broad range of threat scenarios.

Aviation System Disruptions↗
DOE OSTI2020

Evaluation of Microreactor Inhalation Dose Consequences

The new generation of microreactors are intended to provide useful, very reliable and safe safe energy for a variety of applications such as supplying to remote locations. Microreactors range from less than 1 MW th to more than 20 MW th . A range of technologies is being considered, including variations in neutron energy spectrum (fast or thermal), variations in primary and secondary coolant choices (e.g. metal cooled, gas cooled, and unique power cycle reactors. The reactors tend to use new fuel forms and types with unique benefits such as metal or TRISO fuel for higher fuel density and safety, respectively. The notional image of a microreactor is a reactor that fits in a seavan or intermodal shipping container. This would allow conventional shipping options, including aircraft, and match other mobile power sources. A development of a capability to test these reactors is needed, whether in a facility or in an open area. INL is in the process of determining acceptable test areas for these various reactors and an understanding of potential bounding consequences is important in informing siting and required infrastructure capability decisions. This ECAR considers the bounding release fractions of these types of reactors at 20 MW th and documents the dose consequences to the public and collocated worker. This is a scoping analysis for the generalized type of reactor, and the analysis will be refined based on the specific reactor design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Consequence-Driven Cybersecurity for High-Power Electric Vehicle Charging Infrastructure

Cybersecurity of high-power charging infrastructure for electric vehicles (EVs) is critical to the safety, reliability, and consumer confidence in this publicly accessible technology. Cybersecurity vulnerabilities in high-power EV charging infrastructure may also present risks to broader transportation and energy-infrastructure systems. Here, this paper details a methodology used to analyze and prioritize high-consequence events that could result from cybersecurity sabotage to high-power charging infrastructure. The highest prioritized events are evaluated under laboratory conditions for the severity of impact and the complexity of cybersecurity manipulation. Mitigation solutions and strategies are presented to secure the vulnerabilities that potentially lead to high-consequence events. These mitigations can be immediately implemented by industry or executed during the design stage.

25 ENERGY STORAGE↗
DOE OSTI2023

Addressing Consequence within Operational Risk: An Approach for Understanding an Organization’s Unique Infrastructure Environment

The endeavor of tackling operational risk focused on consequences is challenging even for the most resourced entity but can be advanced though a simplified approach: identifying, binning, and prioritizing the infrastructure environment. While no two entities within a single element of the 16 critical infrastructure sectors are exactly alike when it comes to risk, there is a basic process to move toward a greater understanding of operational risk through becoming more informed about the infrastructure landscape in which the entity exists. The process starts with bringing internal and external stakeholders and subject matter experts together to analyze key areas such as Information Technology (IT) and Operational Technology (OT) components and points of convergence, analyzing internal and external cyber and physical dependencies, accounting for explosive growth in devices and wireless technology, and leveraging the contributions of people inside and outside the operational environment. Attaining a common understanding of the infrastructure landscape as part of addressing consequences within operational risk is not easy to do or resource light, but the process outlined provides the framework to further any entity’s efforts in this space.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

ECAR-5127 Rev 1 Evaluation of the MARVEL Reactor Inhalation Dose Consequences

The following dose consequence analysis is performed to support the preliminary Microreactor Applications Research Validation and Evaluation Project (MARVEL) design effort. The purpose of the MARVEL project is to develop a nuclear microreactor applications test bed at Idaho National Laboratory (INL) to perform research and development on various operational features of microreactors to ultimately improve integration of microreactors to end-user applications. The MARVEL concept is a 100 kilowatt (kW) thermal (kWth) and approximately 20-kW electric (kWe) generating microreactor. The MARVEL system will be located in the INL TREAT facility in the north high-bay equipment pit. This ECAR considers the bounding release fractions of the MARVEL reactor concept and documents the dose consequences to the public and collocated worker.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2018

Large Ensemble Analytic Framework for Consequence-Driven Discovery of Climate Change Scenarios

An analytic scenario generation framework is developed based on the idea that the same climate outcome can result from very different socioeconomic and policy drivers. The framework builds on the Scenario Matrix Framework’s abstraction of “challenges to mitigation” and “challenges to adaptation” to facilitate the flexible discovery of diverse and consequential scenarios. We combine visual and statistical techniques for interrogating a large factorial data set of 33,750 scenarios generated using the Global Change Assessment Model. We demonstrate how the analytic framework can aid in identifying which scenario assumptions are most tied to user-specified measures for policy relevant outcomes of interest, specifically for our example high or low mitigation costs. We show that the current approach for selecting reference scenarios can miss policy relevant scenario narratives that often emerge as hybrids of optimistic and pessimistic scenario assumptions. We also show that the same scenario assumption can be associated with both high and low mitigation costs depending on the climate outcome of interest and the mitigation policy context. In the illustrative example, we show how agricultural productivity, population growth, and economic growth are most predictive of the level of mitigation costs. Formulating policy relevant scenarios of deeply and broadly uncertain futures benefits from large ensemble-based exploration of quantitative measures of consequences. To this end, we have contributed a large database of climate change futures that can support “bottom-up” scenario generation techniques that capture a broader array of consequences than those that emerge from limited sampling of a few reference scenarios.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Consequences of Intrapore Liquids on Reactivity, Selectivity, and Stability for Aldol Condensation Reactions on Anatase TiO 2 Catalysts

Abstract This study provides evidence and mechanistic interpretations for the significant consequences of intrapore non‐polar liquids on acetone aldol condensation turnover rates, selectivity to primary dimer products, and catalyst stability for reactions at Lewis acid‐base site pairs on TiO 2 surfaces. These non‐polar liquids confer such benefits through the preferential stabilization of transition states (TS) for adsorption (“entry”) and desorption (“exit”) steps, which place their respective reactants or products within a solvating outer sphere environment. The extent to which non‐polar fluids ( n ‐heptane) form an intrapore liquid phase within TiO 2 voids was obtained from N 2 uptakes using established formalisms that consider the different molal volume, surface tension, and volatility between N 2 and n ‐heptane. Acetone condensation rates are limited by C−H activation, an “entry” step that forms bound prop‐1‐en‐2‐olates via a TS stabilized by intrapore liquids, leading to higher aldol condensation turnover rates as n ‐heptane pressure increases and active TiO 2 surfaces become increasingly immersed within a non‐polar liquid phase. These liquids solvate the late TS structures that mediate the desorption of primary C 6 condensation products even more effectively than those involved in prop‐1‐en‐2‐olate formation or in nucleophilic attack events that later form C−C bonds. Such preferential solvation favors desorption over C−C coupling events, thus disfavoring the formation of larger oligomers that become stranded at active sites, thus leading to much slower deactivation. Moreover, solvation by non‐polar liquids also leads to C 6 alkanones as the sole products formed in a single surface sojourn. These effects of a non‐polar dense phase circumvent the inherent stability, reactivity, and selectivity hurdles that have precluded practical aldol condensation catalysis on Lewis acid‐base pairs at oxide surfaces; these consequences are demonstrated here for TiO 2 catalysts, acetone aldol condensation reactions, and n ‐heptane as the non‐polar liquid but through strategies, concepts, and mechanistic features that extend to other systems. More generally, these observations and their mechanistic origins demonstrate how a contacting liquid preferentially solvates TS structures for elementary steps that involve either reactants arriving from or products entering into an outer sphere environment that contains a dense non‐polar phase.

Kadam, Shashikant A.↗
DOE OSTI2022

The connected wedge theorem and its consequences

In the AdS/CFT correspondence, bulk causal structure has consequences for boundary entanglement. In quantum information science, causal structures can be replaced by distributed entanglement for the purposes of information processing. In this work, we deepen the understanding of both of these statements, and their relationship, with a number of new results. Centrally, we present and prove a new theorem, the n-to-n connected wedge theorem, which considers n input and n output locations at the boundary of an asymptotically AdS 2+1 spacetime described by AdS/CFT. When a sufficiently strong set of causal connections exists among these points in the bulk, a set of n associated regions in the boundary will have extensive-in-N mutual information across any bipartition of the regions. The proof holds in three bulk dimensions for classical spacetimes satisfying the null curvature condition and for semiclassical spacetimes satisfying standard conjectures. The n-to-n connected wedge theorem gives a precise example of how causal connections in a bulk state can emerge from large-N entanglement features of its boundary dual. It also has consequences for quantum information theory: it reveals one pattern of entanglement which is sufficient for information processing in a particular class of causal networks. We argue this pattern is also necessary, and give an AdS/CFT inspired protocol for information processing in this setting. Our theorem generalizes the 2-to-2 connected wedge theorem proven in [3]. We also correct some errors in the proof presented there, in particular a false claim that existing proof techniques work above three bulk dimensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Evaluation of the Radiological Consequences of Beyond Design Basis Accident for IRT MEPhI

The results of an analysis of the radiological consequences of a beyond design basis accident for IRT MEPhI with high-enrichment uranium fuel and conversion to IRT-3M fuel assemblies with fuel kernel based the alloy U–9% Mo in an aluminum matrix with enrichment 19.7% are presented. The beyond design basis accident is assumed to be blocking of the flow section of the coolant in FA by a foreign object. It was postulated that a single eight-tube FA will melt in this accident. The analysis is performed using approximate conservative estimates. It is shown that the effective dose for the population does not exceed the admissible level. The radiological consequences of the accident for a reactor with high- and low-enrichment fuel are almost indistinguishable.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

High feather mercury concentrations in the wandering albatross are related to sex, breeding status and trophic ecology with no demographic consequences

Hg can affect physiology of seabirds and ultimately their demography, particularly if they are top consumers. In the present study, body feathers of >200 wandering albatrosses from Possession Island in the Crozet archipelago were used to explore the potential demographic effects of the long-term exposure to Hg on an apex predator. Variations of Hg with sex, age class, foraging habitat (inferred from δ{sup 13}C values), and feeding habits (inferred from δ{sup 15}N values) were examined as well as the influence of Hg on current breeding output, long-term fecundity and survival. Wandering albatrosses displayed among the highest Hg feather concentrations reported for seabirds, ranging from 5.9 to 95 µg g{sup −1}, as a consequence of their high trophic position (δ{sup 15}N values). These concentrations fall within the same range of those of other wandering albatross populations from subantarctic sites, suggesting that this species has similar exposure to Hg all around the Southern Ocean. In both immature and adult albatrosses, females had higher Hg concentrations than males (28 vs. 20 µg g{sup −1} dw on average, respectively), probably as a consequence of females foraging at lower latitudes than males (δ{sup 13}C values). Hg concentrations were higher in immature than in adult birds, and they remained fairly constant across a wide range of ages in adults. Such high levels in immature individuals question (i) the frequency of moult in young birds, (ii) the efficiency of Hg detoxification processes in immatures compared to adults, and (iii) importantly the potential detrimental effects of Hg in early life. Despite very high Hg concentrations in their feathers, neither effects on adults' breeding probability, hatching failure and fledgling failure, nor on adults' survival rate were detected, suggesting that long-term bioaccumulated Hg was not under a chemical form leading to deleterious effects on reproductive parameters in adult individuals. - Highlights: • Immature albatrosses had higher feather Hg concentrations than adults. • Foraging habitat influenced Hg bioaccumulation as a result of male and female segregation. • No carry-over effects were detected on reproductive parameters.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Consequences of long-term water exposure for bulk crystal structure and surface composition/chemistry of nickel-rich layered oxide materials for Li-ion batteries

Water exposure of layered nickel-rich transition metal oxide electrodes, widely used in high-energy lithium-ion batteries, has detrimental effects on the electrochemical performance, which complicates electrode handling and prevents implementation of environmentally benign aqueous processing procedures. Elucidating the degradation mechanisms in play may help rationally mitigate/circumvent key challenges. Here, the bulk structural consequences of long-term (>2.5 years) deuterated water (D2O) exposure of intercalation materials with compositions Li x Ni 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) and Li x Ni 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) are studied by neutron powder diffraction (NPD). Detailed inspection of the NPD data reveals gradual formation of a secondary crystalline phase in all exposed samples, not previously reported for this system. This unknown phase forms faster in liquid- compared to vapor-exposed compounds. Structural modelling of the NPD data shows a stable level of Li/Ni anti-site defects and does not indicate any significant changes in lattice parameters or hydrogen-lithium (D + /Li + ) exchange in the structure. Consequently, the secondary phase formation must take place via transformation rather than modification of the parent material. X-ray photoelectron spectroscopy data indicate formation of LiHCO 3 /Li 2 CO 3 at the surface and a Li-deficient oxide in the sub-surface region of the pristine compounds, and the presence of adsorbed water and transition metal hydroxides at the exposed sample surfaces.

25 ENERGY STORAGE↗
DOE OSTI2016

The chicken or the egg: mitochondrial dysfunction as a cause or consequence of toxicity in Huntington’s disease

Mitochondrial dysfunction and ensuing oxidative damage is typically thought to be a primary cause of Huntington's disease, Alzheimer's disease, and Parkinson disease. There is little doubt that mitochondria (MT) become defective as neurons die, yet whether MT defects are the primary cause or a detrimental consequence of toxicity remains unanswered. Oxygen consumption rate (OCR) and glycolysis provide sensitive and informative measures of the functional status MT and the cells metabolic regulation, yet these measures differ depending on the sample source; species, tissue type, age at measurement, and whether MT are measured in purified form or in a cell. The effects of these various parameters are difficult to quantify and not fully understood, but clearly have an impact on interpreting the bioenergetics of MT or their failure in disease states. A major goal of the review is to discuss issues and coalesce detailed information into a reference table to help in assessing mitochondrial dysfunction as a cause or consequence of Huntington's disease.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Surface Reconstructions of Metal Oxides and the Consequences on Catalytic Chemistry

Catalysts are inherently vital in nature, as they respond to the environment by changing their local and extended structures. Surface reconstruction is among such dynamic behaviors of catalysts and greatly affects the physical, chemical, and electronic properties of catalysts and consequently the catalytic performances. Thus, understanding the nature of the catalytic sites of the reconstructed surfaces is essential for establishing the structure–catalysis relations and has attracted much interest in catalysis research. Knowledge of the reconstruction of metal oxides has been quite limited in comparison to that of metal surfaces because the nature of oxide surfaces is generally more complex. However, significant progress has been made in recent years in oxide surfaces thanks to the advances in the ability to synthesize model oxide nanocrystals and to characterize the surface reconstruction behaviors under in situ and operando conditions with advanced spectroscopy and microscopy aided by computational modeling. In this Perspective, such advances in understanding the surface reconstruction behaviors of metal oxide nanoshapes and thin films with well-defined surface structures under as-synthesized, various pretreatment, and reaction environments will be summarized, and the catalytic consequences of these reconstructions will be highlighted. The results from these studies clearly show that the combination of model oxides and in situ/operando investigations is imperative in shaping the fundamental understanding of the dynamic reconstructions of oxide surfaces. Yet, it is still difficult to study the surface reconstructions of oxide catalysts with meaningful temporal and spatial resolution under operating conditions. Future opportunities are discussed on how to address the challenges and eventually help to design more efficient catalysts by taking advantages of the surface reconstructions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Structural and Functional Consequences of Circular Permutation on the Active Site of Old Yellow Enzyme

Circular permutation of the NADPH-dependent oxidoreductase Old Yellow Enzyme from Saccharomyces pastorianus (OYE1) can significantly enhance the enzyme’s catalytic performance. Termini relocation into four regions of the protein (sectors I–IV) near the active site has proven effective in altering enzyme function. To better understand the structural consequences and rationalize the observed functional gains in these OYE1 variants, we selected representatives from sectors I–III for further characterization by biophysical methods and X-ray crystallography. These investigations not only show trends in enzyme stability and quaternary structure as a function of termini location but also provide a possible explanation for the catalytic gains in our top-performing OYE variant (new N-terminus at residue 303; sector III). Crystallographic analysis indicates that termini relocation into sector III affects the loop β6 region (amino acid positions: 290–310) of OYE1, which forms a lid over the active site. Peptide backbone cleavage greatly enhances local flexibility, effectively converting the loop into a tether and consequently increasing the environmental exposure of the active site. Interestingly, such an active site remodeling does not negatively impact the enzyme’s activity and stereoselectivity; neither does it perturb the conformation of other key active site residues with the exception of Y375. These observations were confirmed in truncation experiments, deleting all residues of the loop β6 region in our OYE variant. Intrigued by the finding that circular permutation leaves most of the key catalytic residues unchanged, we also tested OYE permutants for possible additive or synergistic effects of amino acid substitutions. Distinct functional changes in these OYE variants were detected upon mutations at W116, known in native OYE1 to cause inversion of diastereoselectivity for (S)-carvone reduction. In conclusion, our findings demonstrate the contribution of loop β6 toward determining the stereoselectivity of OYE1, an important insight for future OYE engineering efforts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Entangled chain polymer liquids under continuous shear deformation: consequences of a microscopically anharmonic confining tube

Here, we generalize our non-classical theory for the shear rheology of entangled flexible polymer liquids to address the consequences of a deformation-modified anharmonic tube confinement field. Numerical results for stress–strain curves, orientational relaxation time, primitive path (PP) step orientational order parameter, dynamic tube diameter and transverse entropic barrier under nonequilibrium conditions are presented as a function of dimensionless shear rate, strain and degree of entanglement. Deformation-induced changes of the tube field have essentially no effect on rheology under fast deformations conditions corresponding to Rouse Weissenberg numbers Wi R > 1 because of the dominance of PP chain stretch. However, the scaling behavior of the effective orientational relaxation time and rheological response at low deformation rates Wi R < 1 are significantly modified, with the stress overshoot coordinates predicted to become shear rate and degree of entanglement dependent. Stress-assisted transverse activated barrier hopping as a new channel of orientational relaxation is found to be potentially important when Wi R < 1. The dynamic tube diameter and transverse entropic barrier that confines chains in a tube are rich functions of strain, shear rate and degree of entanglement. Deformation can increase or decrease the tube diameter, and non-monotonic changes with strain are possible due to competing consequences of PP orientation, chain stretch and stress. The transverse barrier is relatively high for all strains below the stress overshoot, for weaker entanglement, and for Wi R > 1, corresponding to a dynamically stable tube. But for high enough degrees of entanglement and Wi R < 1, although the barrier still exists it can become very low.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Analysis of the Fe 2p XPS for hematite α Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings

The origins of the complex Fe 2p X-Ray Photoelectron Spectra (XPS) of hematite (α-Fe2O3) are analyzed and related to the character of the bonding in this compound. This analysis provides a new and novel view of the reasons for XPS binding energies (BEs) and BE shifts, which deepens the current understanding and interpretation of the physical and chemical significance of the XPS. In particular, many-body effects are considered for the initial and the final, 2p-hole configuration wavefunctions. It is shown that a one-body or one-configuration analysis is not sufficient and that the many-body, many-determinantal, and many-configurational character of the wavefunctions must be taken into account to describe and understand why the XPS intensity is spread over an extremely large number of final 2p-hole multiplets. The focus is on the consequences of angular momentum coupling of the core and valence open shell electrons, the ligand field splittings of the valence shell orbitals, and the degree of covalent mixing of the Fe(3d) electrons with the O(2p) electrons. Novel theoretical methods are used to estimate the importance of these various terms. An important consequence of covalency is a reduction in the energy separation of the multiplets. Although shake satellites are not considered explicitly, the total losses of intensity from the angular momentum multiplets to shake satellites is determined and related to the covalent character of the Fe-O interaction. The losses are found to be the same for Fe 2p1/2 and 2p3/2 ionization.

Bagus, Paul S. (ORCID:0000000349315217)↗