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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Physical Regime Sensitivity

Abstract This work presents a novel sensitivity approach that quantifies sensitivity to regimes of a model’s state variables rather than constitutive model parameters. This Physical Regime Sensitivity (PRS) determines which regimes of a model’s independent variables have the biggest influence on an experiment or application. PRS analysis is demonstrated on a strength model used in the simulation of a copper Taylor cylinder. In a series of simulations, the strength model was perturbed sequentially in local regimes of plastic strain, plastic strain rate, temperature and pressure, and then the prediction of cylinder shape was compared to unperturbed calculations. Results show, for example, that the deformed length of the cylinder was most sensitive to strength at a strain rate of 1.0 × 10 4 /sec., but the deformed footprint radius was most sensitive to strength at a strain rate of about 4.0 × 10 4 /sec. Compared to current histogram approaches, PRS can be used to design or interpret integrated experiments by identifying not just which regimes are accessed somewhere in the experiment but the causality question of which regimes actually affect the measured data. PRS should allow one to focus experimental and modeling efforts where they are most needed and to better interpret experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Numeric invariants from multidimensional persistence

Topological data analysis is the study of data using techniques from algebraic topology. Often, one begins with a finite set of points representing data and a “filter” function which assigns a real number to each datum. Using both the data and the filter function, one can construct a filtered complex for further analysis. For example, applying the homology functor to the filtered complex produces an algebraic object known as a “one-dimensional persistence module”, which can often be interpreted as a finite set of intervals representing various geometric features in the data. If one runs the above process incorporating multiple filter functions simultaneously, one instead obtains a multidimensional persistence module. Unfortunately, these are much more difficult to interpret. In this article, we analyze the space of multidimensional persistence modules from the perspective of algebraic geometry. First we build a moduli space of a certain subclass of easily analyzed multidimensional persistence modules, which we construct specifically to capture much of the information which can be gained by using multidimensional persistence instead of one-dimensional persistence. Fruthermore, we argue that the global sections of this space provide interesting numeric invariants when evaluated against our subclass of multidimensional persistence modules. Finally, we extend these global sections to the space of all multidimensional persistence modules and discuss how the resulting numeric invariants might be used to study data. This paper extends the results of Adcock et al. (Homol Homotopy Appl 18(1), 381–402, 2016) by constructing numeric invariants from the computation of a multidimensional persistence module as given by Carlsson et al. (J Comput Geom 1(1), 72–100, 2010).

58 GEOSCIENCES↗
DOE OSTI2013

Ferroelasticity in a metal-organic framework perovskite; towards a new class of multiferroics

A metal–organic framework perovskite, [(CH 2 ) 3 NH 2 ][Mn(HCOO) 3 ], exhibits a weakly first order ferroelastic phase transition at ~272 K, from orthorhombic Pnma to monoclinic P2 1 /n, and a further transition associated with antiferromagnetic ordering at ~8.5 K. The main structural changes, through the phase transition, are orientational ordering of the azetidium groups and associated changes in hydrogen bonding. In marked contrast to conventional improper ferroelastic oxide perovskites, the driving mechanism is associated with the X-point of the cubic Brillouin zone rather than being driven by R- and M-point octahedral tilting. The total ferroelastic shear strain of up to ~5% is substantially greater than found for typical oxide perovskites, and highlights the potential of the flexible framework to undergo large relaxations in response to local structural changes. Measurements of elastic and anelastic properties by resonant ultrasound spectroscopy show some of the characteristic features of ferroelastic materials. In particular, acoustic dissipation below the transition point can be understood in terms of mobility of twin walls under the influence of external stress with relaxation times on the order of ~10 -7 s. Elastic softening as the transition is approached from above is interpreted in terms of coupling between acoustic modes and dynamic local ordering of the azetidium groups. Subsequent stiffening with further temperature reduction is interpreted in terms of classical strain–order parameter coupling at an improper ferroelastic transition which is close to being tricritical. By way of contrast, there are no overt changes in elastic or anelastic properties near 9 K, implying that any coupling of the antiferromagnetic order parameter with strain is weak or negligible.

Li, Wei↗
DOE OSTI2023

Differentiating the bonding states in calcium carbonate polymorphs by low-loss electron-energy-loss spectroscopy

Calcium carbonate is one of the important building components in organisms, especially the two most common polymorphs, calcite and aragonite. Here, to understand the difference in bonding state, the two polymorphs are characterized by valence (low-loss) electron energy loss spectroscopy. It is found that the difference in Ca M 23 edge originating from 3p to 3d states is consistent with the change of Ca-O bonds in the two studied polymorphs. Surprisingly, the measured Ca M 23 edge is in qualitative agreement with the calculated partial density of states (PDOS) of Ca-d states in contrast to their L edges (from 2p to 3d states) which are strongly influenced by atomic multiplet effect (spin-orbit coupling). This is because the atomic multiplet effect is much reduced for the Ca 3p orbital, which permits the corresponding Ca M 23 edge to be compared with the PDOS results. Our findings show insights that PDOS can potentially be used to interpret the M 23 edge of lighter 3d transition metals such as scandium, titanium, vanadium and chromium when such interpretation may not be achieved for their L edges.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Comparing ecosystem and soil respiration: Review and key challenges of tower-based and soil measurements

The net ecosystem exchange (NEE) is the difference between ecosystem CO2 assimilation and CO2 losses to the atmosphere. Ecosystem respiration (Reco), the efflux of CO2 from the ecosystem to the atmosphere, includes the soil-to-atmosphere carbon flux (i.e., soil respiration; Rsoil) and aboveground plant respiration. Therefore, Rsoil is a fraction of Reco and by definition has to be smaller than Reco at annual, seasonal and daily scales. However, several studies estimating Reco with the eddy covariance technique and measuring Rsoil within the footprint of the tower have reported higher Rsoil than Reco at different time scales. Here, we compare four different and contrasting ecosystems (from forest to grasslands, and from boreal to semiarid) to study whether, and under what conditions, measurements of Reco are lower than Rsoil. In general, both fluxes showed similar temporal patterns, but Reco was not consistently higher than Rsoil from daily to annual scales across sites. We identified several issues that apply for measuring NEE and measuring/upscaling Rsoil that could result in an underestimation of Reco and/or an overestimation of Rsoil. These issues are discussed based on (a) nighttime measurements of NEE, (b) Rsoil measurements, and (c) the interpretation of the functional relationships of these fluxes with temperature (i.e., Q10). We highlight that there is still a need for better integration of Rsoil with eddy covariance measurements to address challenges related to spatial and temporal variability of Reco and Rsoil.

Barba, Josep↗
DOE OSTI2020

Spectroradiometric detection of competitor diatoms and the grazer Poteriochromonas in algal cultures

To address challenges in early detection of pond pests, we have extended a spectroradiometric monitoring method, initially demonstrated for measurement of pigment optical activity and biomass, to the detection of algal competitors and grazers. The method relies upon measurement and interpretation of pond reflectance spectra spanning from the visible into the near-infrared. Reflectance spectra are acquired every 5 min with a multi-channel, fiber-coupled spectroradiometer, providing monitoring of algal pond conditions with high temporal frequency. The spectra are interpreted via numerical inversion of a reflectance model, in which the above-water reflectance is expressed in terms of the absorption and backscatter coefficients of the cultured species, with additional terms accounting for the pigment fluorescence features and for the water-surface reflection of sunlight and skylight. With this method we demonstrate detection of diatoms and the predator Poteriochromonas in outdoor cultures of Nannochloropsis oceanica and Chlorella vulgaris, respectively. Further, the relative strength of these signatures is compared to microscopy and sequencing analysis. Spectroradiometric detection of diatoms is then further assessed on beaker-contained mixtures of Microchloropsis salina with Phaeodactylum tricornutum, Thalassiosira weissflogii, and Thalassiosira pseudonana, respectively, providing an initial evaluation of the sensitivity and specificity of detecting pond competitors.

09 BIOMASS FUELS↗
DOE OSTI2021

Sensitivity analysis of in-pile critical heat flux experiments in TREAT for characterization of RIA power-transient effects

A reactivity-initiated accident (RIA) is one type of postulated design basis accident (DBA) that can cause a departure from nucleate boiling (DNB) event in pressurized-water reactors (PWRs). A DNB occurrence and its consequences depend on the thermophysical properties of the fuel components and coolant, characteristics of the transient energy insertion into the fuel rod, and the onset of the critical heat flux (CHF) phenomenon. To leverage the restart of the Transient Reactor Test (TREAT) Facility, an effort is currently underway to better understand the cladding-to-coolant heat transfer mechanisms and the CHF phenomenon under fast-transient irradiation conditions. This paper characterizes the impact of power transients on the thermal-hydraulic behavior of a TREAT Facility reactor heater rodlet CHF experiment to provide the priority of parameters that need to be investigated for an improved CHF model. Sobol sensitivity analysis methods and the Reactor Excursion and Leak Analysis Program (RELAP5-3D) code were used to identify key input parameters on the uncertainty in the prediction of peak outer- and inner-surface temperatures of the heater tube, as well as the time of the DNB event. A series of sensitivity analyses revealed the total energy deposition on the tube and the transient effects of power pulse had large impacts on the maximum temperatures. The CHF multiplier had the largest impact on the time occurrence of CHF. The overall results show the energy deposition rate in the tube is the most influencing factor to the manifestation of CHF and the resulting thermal-hydraulic behaviors of the tube. The multiplier for the CHF, which is interpreted as the predicted CHF value, has the largest Sobol indices for the time of the CHF in all cases, since it directly determines the occurrence of CHF. It is inferred that the uncertainties in the thermal-hydraulic behaviors of fuels increase with respect to the key parameters as the power pulse becomes broader, and an accurate estimation of the energy deposition rate is required to reduce the uncertainty in the evaluation of the integrity of fuel if the CHF is expected to occur near the peak power. Therefore, the outputs are expected to provide rigorous interpretation of ongoing in-pile CHF experiments in the TREAT Facility reactor regarding thermal-hydraulic behavior of the fuel system aiming for a new transient in-pile CHF model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

General N=2 supersymmetric quantum mechanical model: Supervariable approach to its off-shell nilpotent symmetries

Using the supersymmetric (SUSY) invariant restrictions on the (anti-)chiral supervariables, we derive the off-shell nilpotent symmetries of the general one (0+1)-dimensional N=2 SUSY quantum mechanical (QM) model which is considered on a (1, 2)-dimensional supermanifold (parametrized by a bosonic variable t and a pair of Grassmannian variables θ and θ-bar with θ{sup 2}=(θ-bar){sup 2}=0,θ(θ-bar)+(θ-bar)θ=0). We provide the geometrical meanings to the two SUSY transformations of our present theory which are valid for any arbitrary type of superpotential. We express the conserved charges and Lagrangian of the theory in terms of the supervariables (that are obtained after the application of SUSY invariant restrictions) and provide the geometrical interpretation for the nilpotency property and SUSY invariance of the Lagrangian for the general N=2 SUSY quantum theory. We also comment on the mathematical interpretation of the above symmetry transformations. - Highlights: • A novel method has been proposed for the derivation of N=2 SUSY transformations. • General N=2 SUSY quantum mechanical (QM) model with a general superpotential, is considered. • The above SUSY QM model is generalized onto a (1, 2)-dimensional supermanifold. • SUSY invariant restrictions are imposed on the (anti-)chiral supervariables. • Geometrical meaning of the nilpotency property is provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Local gravity theories in conformal superspace

The conformal method for the initial value formulation of GR is one of the most powerful and widely usedtools in both analytical studies and numerical simulations of solutions. As is well-known, it exploits a hidden spatial conformal symmetry that can be extracted from the equations. But why conformal symmetry? Motivated by these questions and by well-known obstacles to quantum gravity, I look for the most general geometrodynamical symmetries compatible with a reduced physical configuration space for metric gravity. I argue that they are indeed spatial conformal diffeomorphisms. The next question is: what sort of theories most naturally incorporate this symmetry? Demanding locality for an action for metric gravity compatible with these principles determines the allowed operators, both for the purely gravitational part as well as matter couplings. The symmetries guarantee that there are two gravitational propagating physical degrees of freedom, but no explicit refoliation-invariance. The simplest such system has a geometric interpretation as a geodesic model in infinite-dimensional conformal superspace. One example of solution to the equations of motion corresponds to a static Bianchi IX spatial ansatz. The unique coupling to electromagnetism forces the electromagnetic equations to be hyperbolic, enabling us to “build” a standard space–time causal structure. There are, however, deviations from the standard Maxwell equations when space–time anisotropies become too large. Regarding quantization, with the geometric interpretation and the lack of refoliation invariance, the path integral treatment of the symmetries becomes much less involved than the similar approaches to GR. The symmetries form an (infinite-dimensional) Lie algebra, and no BFV treatment is necessary. Moreover, one can use gauge-invariant variational principles for selecting the boundary conditions of the path integral. We find that the propagator around the homogeneous solution has up to 6th order spatial derivatives, giving it plausible regularization properties as in Horava–Lifschitz.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

The role of electron orbital angular momentum in the Aharonov–Bohm effect revisited

This is a brief review on the theoretical interpretation of the Aharonov–Bohm effect, which also contains our new insight into the problem. A particular emphasis is put on the unique role of electron orbital angular momentum, especially viewed from the novel concept of the physical component of the gauge field, which has been extensively discussed in the context of the nucleon spin decomposition problem as well as the photon angular momentum decomposition problem. Practically, we concentrate on the frequently discussed idealized setting of the Aharonov–Bohm effect, i.e. the interference phenomenon of the electron beam passing around the infinitely-long solenoid. One of the most puzzling observations in this Aharonov–Bohm solenoid effect is that the pure-gauge potential outside the solenoid appears to carry non-zero orbital angular momentum. Through the process of tracing its dynamical origin, we try to answer several fundamental questions of the Aharonov–Bohm effect, which includes the question about the reality of the electromagnetic potential, the gauge-invariance issue, and the non-locality interpretation, etc.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Floquet dynamics of classical and quantum cavity fields

We show that the time-dependence of electromagnetic field in a periodically modulated cavity can be effectively analyzed using a Floquet map. The map relates the field states separated by one period of the drive; iterative application of the map allows to determine field configuration after arbitrary number of drive periods. For resonant and near-resonant drives, the map has stable and unstable fixed points, which are the loci of infinite energy concentration in the long time limit. The Floquet map method can be applied both to classical and quantum massless field problems, including the dynamical Casimir effect. The stroboscopic time evolution implemented by the map can be interpreted in terms of the wave propagation in a curved space, with the fixed points of the map corresponding to the black hole and white hole horizons. More practically, the map can be used to design protocols for signal compression/decompression, cooling, and sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Neutron-star mergers and new opportunities in rare isotope experimental research

The recent observation of the first neutron-star merger event GW170817 had major impact on our understanding of stellar nucleosynthesis. It was identified for the first time as one of the sites for the astrophysical r process, a process that is responsible for the synthesis of roughly half of the isotopes of the heavy elements. The observed kilonova afterglow from the neutronstar merger event was interpreted as the result of the radioactive decays of r-process isotopes as they decay back to the valley of stability. The observed kilonova light curve is however broad due to its complex composition and the Doppler-shift due to fast moving matter, and is therefore impossible to interpret without accurate knowledge of the nuclear properties of the nuclei involved. This work focuses on the current experimental efforts to measure the relevant nuclear properties, together with plans for the next generation radioactive beam facilities, and in particular the Facility for Rare Isotope Beams (FRIB).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Electric load shape benchmarking for small- and medium-sized commercial buildings

Small- and medium-sized commercial buildings owners and utility managers often look for opportunities for energy cost savings through energy efficiency and energy waste minimization. However, they currently lack easy access to low-cost tools that help interpret the massive amount of data needed to improve understanding of their energy use behaviors. Benchmarking is one of the techniques used in energy audits to identify which buildings are priorities for an energy analysis. Traditional energy performance indicators, such as the energy use intensity (annual energy per unit of floor area), consider only the total annual energy consumption, lacking consideration of the fluctuation of energy use behavior over time, which reveals the time of use information and represents distinct energy use behaviors during different time spans. To fill the gap, this study developed a general statistical method using 24-hour electric load shape benchmarking to compare a building or business/tenant space against peers. Specifically, the study developed new forms of benchmarking metrics and data analysis methods to infer the energy performance of a building based on its load shape. We first performed a data experiment with collected smart meter data using over 2,000 small- and medium-sized businesses in California. We then conducted a cluster analysis of the source data, and determined and interpreted the load shape features and parameters with peer group analysis. Finally, we implemented the load shape benchmarking feature in an open-access web-based toolkit (the Commercial Building Energy Saver) to provide straightforward and practical recommendations to users. The analysis techniques were generic and flexible for future datasets of other building types and in other utility territories.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Evaluating penalized logistic regression models to predict Heat-Related Electric grid stress days

Understanding the conditions associated with stress on the electricity grid is important in the development of contingency plans for maintaining reliability during periods when the grid is stressed. In this paper, heat-related grid stress and the relationship with weather conditions is examined using data from the eastern United States. Penalized logistic regression models were developed and applied to predict stress on the electric grid using weather data. The inclusion of other weather variables, such as precipitation, in addition to temperature improved model performance. Several candidate models and datasets were examined. A penalized logistic regression model fit at the operation-zone level was found to provide predictive value and interpretability. Additionally, the importance of different weather variables observed at different time scales were examined. Maximum temperature and precipitation were identified as important across all zones while the importance of other weather variables was zone specific. The methods presented in this work are extensible to other regions and can be used to aid in planning and development of the electrical grid.

Bramer, L. M.↗
DOE OSTI2022

A study of in situ reduction of MoO 3 to MoO 2 by X-ray Photoelectron Spectroscopy

Results from X-ray Photoelectron Spectroscopy (XPS) of molybdenum oxide samples are presented to elucidate how Mo (VI) oxide evolves to Mo (IV) oxide upon heating of a MoO 3 sample. XPS data analysis techniques based on manipulation of spectra treated as vectors are shown and allow insights into intermediate phases of Mo oxide which suggest how the original oxide changes under the influence of heat but also supports an interpretation of as-received tetravalent Mo powders as multivalent materials. In particular, several new spectral components were observed and assigned to the Magnéli phase as well as MoO 3 domains that have been modified by the presence of X-rays or temperature. Finally, these assignments comprise a new method of data processing where sample modification is used to inform XPS data interpretation and differ from previous work where the linear relationship of the binding energy of molybdenum oxides has been used.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Ghost states and surface structures of the charge density wave kagome metal ScV 6 Sn 6

In this work, we investigate the high-temperature phase of the kagome metal ScV 6 Sn 6 using scanning tunneling microscopy/spectroscopy (STM/S) and density functional theory calculations. STM topographic images of the cleaved sample reveal two distinct surface terminations: flat islands with Sn termination and trenches terminated by kagome layers with Sn as the outermost atomic layer. STS measurements on the Sn-terminated and kagome-terminated surfaces show significant differences, in particular the presence of large density of states near the Fermi level in the former case. Our first-principles calculations reveal that the charge density on the kagome-terminated surface gives rise to “ghost states” which show intensity away from surface atoms, arising due to hybridization of orbitals above the surface. These states can obscure the intrinsic properties of the surface, potentially leading to misattribution of the surface termination. This underscores the need for careful interpretation in STM studies, especially when discerning surface states of localized states. Understanding the surface structure of this versatile quantum material provides essential information for interpreting surface-sensitive experiments, tailoring material properties, engineering interfaces, and controlling stability and reactivity. This knowledge paves the way for further exploration and potential applications of kagome lattice materials in various fields, including quantum computing, topological physics, and advanced electronic devices.

36 MATERIALS SCIENCE↗