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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Structural Interpretation of the Large Slowdown of Water Dynamics at Stacked Phospholipid Membranes for Decreasing Hydration Level: All-Atom Molecular Dynamics

Hydration water determines the stability and function of phospholipid membranes as well as the interaction of membranes with other molecules. Experiments and simulations have shown that water dynamics slows down dramatically as the hydration decreases, suggesting that the interfacial water that dominates the average dynamics at low hydration is slower than water away from the membrane. Here, based on all-atom molecular dynamics simulations, we provide an interpretation of the slowdown of interfacial water in terms of the structure and dynamics of water–water and water–lipid hydrogen bonds (HBs). We calculate the rotational and translational slowdown of the dynamics of water confined in stacked phospholipid membranes at different levels of hydration, from completely hydrated to poorly hydrated membranes. For all hydrations, we analyze the distribution of HBs and find that water–lipids HBs last longer than water–water HBs and that at low hydration most of the water is in the interior of the membrane. We also show that water–water HBs become more persistent as the hydration is lowered. We attribute this effect (i) to HBs between water molecules that form, in turn, persistent HBs with lipids; (ii) to the hindering of the H-bonding switching between water molecules due to the lower water density at the interface; and (iii) to the higher probability of water–lipid HBs as the hydration decreases. Lastly, our interpretation of the large dynamic slowdown in water under dehydration is potentially relevant in understanding membrane biophysics at different hydration levels.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Prediction of Long-Term Geochemical Change in Bentonite Based on the Interpretative THMC Model of the FEBEX In Situ Test

Since nuclear energy is crucial in the decarbonization of the energy supply, one hurdle to remove is the handling of high-level radioactive waste (HLW). Disposal of HLW in a deep geological repository has long been deemed a viable permanent option. In the design of a deep geological repository, compacted bentonite is the most commonly proposed buffer material. Predicting the long-term chemical evolution in bentonite, which is important for the safety assessment of a repository, has been challenging because of the complex coupled processes. Models for large-scale tests and predictions based on such models have been some of the best practices for such purposes. An 18-year-long in situ test with two dismantling events provided a unique set of chemical data that allowed for studying chemical changes in bentonite. In this paper, we first developed coupled thermal, hydrological, mechanical, and chemical (THMC) models to interpret the geochemical data collected in the in situ test and then extended the THMC model to 200 years to make long-term prediction of the geochemical evolution of bentonite. The interpretive coupled THMC model shows that the geochemical profiles were strongly affected by THM processes such as evaporation/condensation, porosity change caused by swelling, permeability change, and the shape of concentration profiles for major cations were largely controlled by transport processes, but concentration levels were regulated by chemical reactions, and the profiles of some species such as pH, bicarbonate, and sulfate were dominated by these reactions. The long-term THMC model showed that heating prolongs the time that bentonite becomes fully saturated in the area close to the heater/canister; however, once the bentonite becomes fully saturated, high concentrations of ions in bentonite near the heater, which was observed in the field test, will disappear; illitization continues for 50 years but will not proceed further.

Zheng, Liange↗
DOE OSTI2023

The Structural Characterisation and DFT-Aided Interpretation of Vibrational Spectra for Cyclo(l-Cys-d-Cys) Cyclic Dipeptide in a Solid State

Cyclic dipeptides with two intramolecular peptide bonds forming a six-membered 2,5-diketopiperazine ring are gaining significant attention due to their biological and chemical properties. Small changes in the local geometry of such molecules (from cis to trans) can lead to significant structural differences. This work presents the results of a study of cyclo(l-Cys-d-Cys), a dipeptide comprising two cysteine molecules in opposite chiral configurations, with the functional groups situated at both sides of the diketopiperazine ring. X-ray diffraction (XRD) experiment revealed that the molecule crystallises in the $P$-1 space group, which includes the centre of inversion. The IR and Raman vibrational spectra of the molecule were acquired and interpreted in terms of the potential energy distribution (PED) according to the results of density functional theory (DFT) calculations. The DFT-assisted analysis of energy frameworks for the hydrogen bond network within molecular crystals was performed to support the interpretation of X-ray structural data. The optimisation of the computational model based on three-molecule geometry sections from the crystallographic structure, selected to appropriately reflect the intermolecular interactions responsible for the formation of 1D molecular tapes in cyclo(l-Cys-d-Cys) crystal, allowed for better correspondence between theoretical and experimental vibrational spectra. This work can be considered the first complete structural characterisation of cyclo(l-Cys-d-Cys), complemented via vibrational spectroscopy results with full band assignment aided with the use of the DFT method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

3FGL demographics outside the galactic plane using supervised machine learning: pulsar and dark matter subhalo interpretations

Nearly one-third of the sources listed in the Third Fermi Large Area Telescope (LAT) catalog (3FGL) remain unassociated. It is possible that predicted and even unanticipated gamma-ray source classes are present in these data waiting to be discovered. Taking advantage of the excellent spectral capabilities achieved by the Fermi LAT, we use machine-learning classifiers (Random Forest and XGBoost) to pinpoint potentially novel source classes in the unassociated 3FGL sample outside the Galactic plane. Here we report a total of 34 high-confidence Galactic candidates at |b|⩾5{sup ∘}. The currently favored standard astrophysical interpretations for these objects are pulsars or low-luminosity globular clusters hosting millisecond pulsars (MSPs). Yet these objects could also be interpreted as dark matter annihilation taking place in ultra-faint dwarf galaxies or dark matter subhalos. Unfortunately, Fermi LAT spectra are not sufficient to break degeneracies between the different scenarios. Careful visual inspection of archival optical images reveals no obvious evidence for low-luminosity globular clusters or ultra-faint dwarf galaxies inside the 95% error ellipses. If these are pulsars, this would bring the total number of MSPs at |b|⩾5{sup ∘} to 106, down to an energy flux ≈4.0 × 10{sup −12} erg cm{sup −2} s{sup −1} between 100 MeV and 100 GeV. We find this number to be in excellent agreement with predictions from a new population synthesis of MSPs that predicts 100–126 high-latitude 3FGL MSPs depending on the choice of high-energy emission model. If, however, these are dark matter substructures, we can place upper limits on the number of Galactic subhalos surviving today and on dark matter annihilation cross sections. These limits are beginning to approach the canonical thermal relic cross section for dark matter particle masses below ∼100 GeV in the bottom quark (b b-bar ) annihilation channel.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

The impact of non-uniform thermal structure on the interpretation of exoplanet emission spectra

The determination of atmospheric structure and molecular abundances of planetary atmospheres via spectroscopy involves direct comparisons between models and data. While varying in sophistication, most model spectra comparisons fundamentally assume one-dimensional (1D) model physics. However, knowledge from general circulation models and of solar system planets suggests that planetary atmospheres are inherently three-dimensional in their structure and composition. We explore the potential biases resulting from standard “1D” assumptions within a Bayesian atmospheric retrieval framework. Specifically, we show how the assumption of a single 1D thermal profile can bias our interpretation of the thermal emission spectrum of a hot Jupiter atmosphere that is composed of two thermal profiles. We retrieve spectra of unresolved model planets as observed with a combination of the Hubble Space Telescope Wide Field Camera 3 (WFC3)+Spitzer Infrared Array Camera (IRAC) as well as the James Webb Space Telescope (JWST) under varying differences in the two thermal profiles. For WFC3+IRAC, there is a significantly biased estimate of CH{sub 4} abundance using a 1D model when the contrast is 80%. For JWST, two thermal profiles are required to adequately interpret the data and estimate the abundances when contrast is greater than 40%. We also apply this preliminary concept to the recent WFC3+IRAC phase curve data of the hot Jupiter WASP-43b. We see similar behavior as present in our simulated data: while the H{sub 2}O abundance determination is robust, CH{sub 4} is artificially well-constrained to incorrect values under the 1D assumption. Our work demonstrates the need to evaluate model assumptions in order to extract meaningful constraints from atmospheric spectra and motivates exploration of optimal observational setups.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Transient Cosmic-ray Events beyond the Heliopause: Interpreting Voyager-1 Observations

In 2013 March and 2014 May, Voyager-1 ( V1 ) experienced small but significant increases in the flux of galactic cosmic rays (GCRs) in the hundred MeV/n range. Additionally, V1 also saw episodic depletion of GCR flux around perpendicular pitch angles. We discuss the pitch-angle distribution and the time profiles of these events. In a previous paper, we interpreted the 2013 “bump” as the GCRs remotely sensing a shock that reached the magnetic field line passing through V1 : particles gained energy as they were reflected on the approaching region of the stronger magnetic field of the disturbance. Here, we point out that energy gain is not restricted to reflected particles—GCRs passing through the disturbance also gain energy. The effect should be present in a broad range of pitch angles with the maximum increase of GCR intensity predicted to occur at the critical reflection angle. In this paper, the shock is not step-like, but a gradual increase of the magnetic field strength, B , taking a few days, in agreement with V1 measurements. This smoothens the profile of the predicted bump in the GCR flux. We also address the linear episodic decreases seen around perpendicular pitch angles. These events are interpreted in terms of adiabatic cooling behind the shock due to the slow weakening of B . We present simple numerical model calculations and find that a gradual shock followed by a slow decrease of B , as observed, may account for both the episodic increases and the anisotropic depletion of GCR fluxes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Effects of Subhalos on Interpreting Highly Magnified Sources Near Lensing Caustics

Large magnification factors near gravitational lensing caustics of galaxy-cluster lenses allow the study of individual stars or compact stellar associations at cosmological distances. We study how the presence of sub-galactic subhalos, an inevitable consequence of cold dark matter, can alter the property of caustics and hence change the interpretation of highly magnified sources that lie atop them. First, we consider a galaxy-cluster halo populated with subhalos sampled from a realistic subhalo mass function calibrated to N-body simulations. Then, we compare a semianalytical approximation and an adaptive ray-shooting method that we employ to quantify the property of the caustics. As a case study, we investigate Earendel, a z = 6.2 candidate of magnified single- or multiple-star system with a lone lensed image atop the critical curve in the Sunrise Arc. We find that the source size constraint (≲0.3 pc) previously derived from macrolens models should be relaxed by a factor of a few to 10 when subhalos are accounted for, therefore allowing the possibility of a compact star cluster. The subhalos could introduce an astrometric perturbation that is ≲0$^{"}_{.}$5, which does not contradict observation. These conclusions are largely robust to changes in the subhalo population. Subhalos therefore should be seriously accounted for when interpreting the astrophysical nature of similar highly magnified sources uncovered in recent high-z observations.

Caustic curve↗
DOE OSTI2016

Interpreting space-based trends in carbon monoxide with multiple models

Here, we use a series of chemical transport model and chemistry climate model simulations to investigate the observed negative trends in MOPITT CO over several regions of the world, and to examine the consistency of time-dependent emission inventories with observations. We also found that simulations driven by the MACCity inventory, used for the Chemistry Climate Modeling Initiative (CCMI), reproduce the negative trends in the CO column observed by MOPITT for 2000–2010 over the eastern United States and Europe. However, the simulations have positive trends over eastern China, in contrast to the negative trends observed by MOPITT. The model bias in CO, after applying MOPITT averaging kernels, contributes to the model–observation discrepancy in the trend over eastern China. This demonstrates that biases in a model's average concentrations can influence the interpretation of the temporal trend compared to satellite observations. The total ozone column plays a role in determining the simulated tropospheric CO trends. A large positive anomaly in the simulated total ozone column in 2010 leads to a negative anomaly in OH and hence a positive anomaly in CO, contributing to the positive trend in simulated CO. Our results demonstrate that accurately simulating variability in the ozone column is important for simulating and interpreting trends in CO.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

AttentionFire_v1.0: interpretable machine learning fire model for burned-area predictions over tropics

Abstract. African and South American (ASA) wildfires account for more than 70 % of global burned areas and have strong connection to local climate for sub-seasonal to seasonal wildfire dynamics. However, representation of the wildfire–climate relationship remains challenging due to spatiotemporally heterogenous responses of wildfires to climate variability and human influences. Here, we developed an interpretable machine learning (ML) fire model (AttentionFire_v1.0) to resolve the complex controls of climate and human activities on burned areas and to better predict burned areas over ASA regions. Our ML fire model substantially improved predictability of burned areas for both spatial and temporal dynamics compared with five commonly used machine learning models. More importantly, the model revealed strong time-lagged control from climate wetness on the burned areas. The model also predicted that, under a high-emission future climate scenario, the recently observed declines in burned area will reverse in South America in the near future due to climate changes. Our study provides a reliable and interpretable fire model and highlights the importance of lagged wildfire–climate relationships in historical and future predictions.

58 GEOSCIENCES↗
NASA NTRS1972

Microscale photo interpretation of forest and nonforest land classes

Remote sensing of forest and nonforest land classes are discussed, using microscale photointerpretation. Results include: (1.) Microscale IR color photography can be interpreted within reasonable limits of error to estimate forest area. (2.) Forest interpretation is best on winter photography with 97 percent or better accuracy. (3.) Broad forest types can be classified on microscale photography. (4.) Active agricultural land is classified most accurately on early summer photography. (5.) Six percent of all nonforest observations were misclassified as forest.

Aldrich, R. C.↗
NASA NTRS1972

Detailed interpretation and analysis of selected corn blight watch data sets

A detailed interpretation and analysis of selected corn blight data set was undertaken in order to better define the present capabilities and limitations of agricultural remote multispectral sensing and automatic processing techniques and to establish the areas of investigation needing futher attention in the development of operational survey systems. While the emphasis of this effort was directed toward the detection of various corn blight levels, problems related to the more general task of crop identification were also investigated. Since the analog recognition computer (SPARC) was fully committed to the more routine aspects of processing and since the detailed interpretation and analysis required more in the way of quantitative information, the CDC 1604 digital computer was employed.

Nalepka, R. F.↗
NASA NTRS1972

Computer enhancement through interpretive techniques

The improvement in the usage of the digital computer through the use of the technique of interpretation rather than the compilation of higher ordered languages was investigated by studying the efficiency of coding and execution of programs written in FORTRAN, ALGOL, PL/I and COBOL. FORTRAN was selected as the high level language for examining programs which were compiled, and A Programming Language (APL) was chosen for the interpretive language. It is concluded that APL is competitive, not because it and the algorithms being executed are well written, but rather because the batch processing is less efficient than has been admitted. There is not a broad base of experience founded on trying different implementation strategies which have been targeted at open competition with traditional processing methods.

Foster, G.↗
NASA NTRS1973

Application of dielectric constant measurements to radar imagery interpretation

The author has identified the following significant results. Although it is readily recognized that there is a need for ground truth to provide adequate guidance for remote sensing data interpretation, it is noted that, in terms of radar remote sensing, this ground truth is often inadequate. It is necessary to make basic electrical and physical measurements of the surface and to some depth below it. A brief outline is presented of a ground truth scheme which uses measurements of the dielectric constant. Two portable instruments were designed specifically for this purpose; these were: (1) a Q-meter for measurement of dielectric constant and loss tangent; and (2) an instrument to measure electrical properties of the two operating frequencies of the imaging radar. Although extensive data are lacking, several general cases of radar-earth surface and interaction are described; also, examples of radar imagery and some data on ice and snow are presented. It is concluded that the next logical step is to begin to quantify the radar ground truth in preparation for machine interpretation and automatic data processing of the radar imagery.

Bryan, M. L.↗
NASA NTRS1973

Interpretation of ERTS-MSS images of a Savanna area in eastern Colombia

The application of ERTS-1 imagery for extrapolating existing soil maps into unmapped areas of the Llanos Orientales of Colombia, South America is discussed. Interpretations of ERTS-1 data were made according to conventional photointerpretation techniques. Most units delineated in the existing reconnaissance soil map at a scale of 1:250,000 could be recognized and delineated in the ERTS image. The methods of interpretation are described and the results obtained for specific areas are analyzed.

Elberson, G. W. W.↗
NASA NTRS1973

Toward RADSCAT measurements over the sea and their interpretation

Investigations into several areas which are essential to the execution and interpretation of suborbital observations by composite radiometer - scatterometer sensor (RADSCAT) are reported. Experiments and theory were developed to demonstrate the remote anemometric capability of the sensor over the sea through various weather conditions. It is shown that weather situations found in extra tropical cyclones are useful for demonstrating the all weather capability of the composite sensor. The large scale fluctuations of the wind over the sea dictate the observational coverage required to correlate measurements with the mean surface wind speed. Various theoretical investigations were performed to establish a premise for the joint interpretation of the experiment data. The effects of clouds and rains on downward radiometric observations over the sea were computed. A method of predicting atmospheric attenuation from joint observations is developed. In other theoretical efforts, the emission and scattering characteristics of the sea were derived. Composite surface theories with coherent and noncoherent assumptions were employed.

Claassen, J. P.↗
NASA NTRS1973

Volcanism subprogram: Volcanological interpretation of the northern part of the Occidental Cordillera of Bolivia, utilizing ERTS imagery

The author has identified the following significant results. In the present study, 6 ERTS-1 images have been interpreted on a 1:1 million scale (black and white) with the respective field reconnaissance. The area studied is located in the region bordering with Chile and includes the western part of the Bolivian Altiplano, the volcano Cordillera (western cordillera) and the northern part of Chile to the Pacific Coast. The greater part of this region is formed by Pliocene/Pleistocene volcani rock, which is discordant with the Tertiary sediments with intercalations of calcareous tuff. The ERTS-1 imagery permits the tracing of regional boundaries of the great volcanic formations and the alinements of the volcanic bodies along the fault zones. They also permit a clear examination of the volcanic apparatus, including their secondary forms, such as lava flows, parasitic cones, and lava domes. Because of the great scale, it is not possible to identify either the small structures or those of low relief. On the basis of the interpretation of the images, it is possible to give an idea of the relative age of the volcanoes.

Brockmann, C. E.↗
NASA NTRS1974

Implementation of ILLIAC 4 algorithms for multispectral image interpretation

Research has focused on the design and partial implementation of a comprehensive ILLIAC software system for computer-assisted interpretation of multispectral earth resources data such as that now collected by the Earth Resources Technology Satellite. Research suggests generally that the ILLIAC 4 should be as much as two orders of magnitude more cost effective than serial processing computers for digital interpretation of ERTS imagery via multivariate statistical classification techniques. The potential of the ARPA Network as a mechanism for interfacing geographically-dispersed users to an ILLIAC 4 image processing facility is discussed.

Ray, R. M.↗