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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

The cosmological constant

The cosmological constant problem is examined in the context of both astronomy and physics. Effects of a nonzero cosmological constant are discussed with reference to expansion dynamics, the age of the universe, distance measures, comoving density of objects, growth of linear perturbations, and gravitational lens probabilities. The observational status of the cosmological constant is reviewed, with attention given to the existence of high-redshift objects, age derivation from globular clusters and cosmic nuclear data, dynamical tests of Omega sub Lambda, quasar absorption line statistics, gravitational lensing, and astrophysics of distant objects. Finally, possible solutions to the physicist's cosmological constant problem are examined.

Carroll, Sean M.↗
NASA NTRS1998

Galaxy Cluster Masses at Moderate Redshifts

The masses of galaxy clusters are dominated by dark matter, and a robust determination of their masses has the potential of indicating how much dark matter exists on large scales in the universe, and the cosmological parameter Omega. X-ray observations of galaxy clusters provide a direct measure of both the gas mass in the intra-cluster medium, and also the total gravitating mass of the cluster. We used new and archival ROSAT observations to measure these quantities for a sample of intermediate redshift clusters which have also been subject to intensive dynamical studies, in order to compare the mass estimates from different methods. We used data from 14 of the CNOC cluster sample at 0.18 less than z less than 0.55 for this study. A direct comparison of dynamical mass estimates from Carlberg, Yee & Ellingson (1997) yielded surprisingly good results. The X-ray/dynamical mass ratios have a mean of 0.96+/- 0.10, indicating that for this sample, both methods are probably yielding very robust mass estimates. Comparison with mass estimates from gravitational lensing studies from the literature showed a small systematic with weak lensing estimates, and large discrepancies with strong lensing estimates. This latter is not surprising, given that these measurement are made close to the central core, where optical and X-ray estimates are less certain, and where substructure and the effects of individual galaxies will be more pronounced. These results are presented in Lewis, Ellingson, Morris/Carlberg, 1998, submitted to the Astrophysical Journal. (Note that Lewis is Ellingson's Ph.D. thesis, who received direct support from this grant and is using this investigation as part of his thesis.) Three additional papers are in preparation. The first provides a comparison of the mass profiles as measured in X- rays and in galaxy dynamics. These profiles are difficult to determine for individual clusters, and are subject to asphericity and other individual quirks of each cluster. However, a composite profile for each method will allow us to test our assumptions of hydrostatic/dynamical equilibrium in the sample as a whole. A second paper provides a more detailed look at the cluster MS0906+11, which is a merging system. A third paper authord with J. Mohr at U. Chicago will invetigate the size-temoerature relationship for intermediate redshift clusters and its impications on cluster formation and cosmology. Future work on these data will include comparisons of the cluster galaxy populations and the extent of the intra-cluster medium, and a more homogeneous analysis of gravitational lensing.

Ellingson, E.↗
NASA NTRSDate not supplied

The Athena/X-IFU, from Detector Development to Scientific Feasibility Studies via Simulations

The investigation of the physical hot and energetic phenomena in the Universe will further improve our understanding of the assembly of the largest structures and massive halos of galaxies, and of the role of black holes in shaping the Universe as we see it. Spatially resolved X-ray high-resolution spectroscopy will be a crucial tool to achieve these scientific goals. The X-IFU instrument onboard the Athena observatory will provide us with these capabilities through the use of arrays of Transition edge microcalorimeters detectors. These superconducting devices will deliver the required exquisite spectral resolution needed to achieve the core science objectives, such as the characterization of turbulence and bulk motions in the hot gaseous atmospheres of groups and clusters of galaxies in order to unveil the process of large scale structures assembly. I will present the Transition Edge Sensors principle, the status of the instrumental development for the X-IFU instrument, and discuss their performance in view of the scientific objectives of the Athena mission. I will further present the case of a feasibility study and optimisation of the observing strategy for the characterization of the internal dynamics of the intra-cluster medium, through the use of mock simulations of observations with the X-IFU instrument.

Sophie Beaumont↗
DOE OSTI2026

A scalable variational method for estimating the latent infection-rate field of an outbreak

In this paper, we explore whether the infection-rate of a disease can serve as a robust monitoring variable in epidemiological surveillance algorithms. The infection-rate is dependent on population mixing patterns that do not vary erratically day-to-day; in contrast, daily case-counts used in contemporary surveillance algorithms are corrupted by reporting errors. The technical challenge lies in estimating the latent infection-rate from case-counts. Here we devise a Bayesian method to estimate the infection-rate across multiple adjoining areal units, and then use it, via an anomaly detector, to discern a change in epidemiological dynamics. We extend an existing model for estimating the infection-rate in an areal unit by incorporating a Markov random field model, so that we may estimate infection-rates across multiple areal units, while preserving spatial correlations observed in the epidemiological dynamics. To carry out the high-dimensional Bayesian inverse problem, we develop an implementation of mean-field variational inference specific to the infection model and integrate it with the random field model to incorporate correlations across counties. The method is tested on estimating the COVID-19 infection-rates across all 33 counties in New Mexico using data from the summer of 2020, and then employing them to detect the arrival of the Fall 2020 COVID-19 wave. We perform the detection using a temporal algorithm that is applied county-by-county. We also show how the infection-rate field can be used to cluster counties with similar epidemiological dynamics.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1992

Binaries in globular clusters

Recent observations have shown that globular clusters contain a substantial number of binaries most of which are believed to be primordial. We discuss different successful optical search techniques, based on radial-velocity variables, photometric variables, and the positions of stars in the color-magnitude diagram. In addition, we review searches in other wavelengths, which have turned up low-mass X-ray binaries and more recently a variety of radio pulsars. On the theoretical side, we give an overview of the different physical mechanisms through which individual binaries evolve. We discuss the various simulation techniques which recently have been employed to study the effects of a primordial binary population, and the fascinating interplay between stellar evolution and stellar dynamics which drives globular-cluster evolution.

Hut, Piet↗
DOE OSTI2025

Accurate and efficient parameterization of an atomic cluster expansion (ACE) potential for ammonia under extreme conditions

We present a machine learning interatomic potential for ammonia designed to capture its complex multiphase behavior, including both molecular and superionic phases. The potential is based on the atomic cluster expansion (ACE) formulation and has been parameterized to facilitate high-fidelity molecular dynamics simulations of ammonia under extreme conditions, for pressures up to 100 GPa and for temperatures above 500 K and up to 6000 K. A diverse range of configurations was generated through high-quality ab initio molecular dynamics simulations, covering insulating and superionic ice phases, liquid ammonia, molecular nitrogen (N 2 ) and hydrogen (H 2 ), and metastable compounds that form upon dissociation, including $NH^{+}_{4}$, $H^{+}_{3}$, N 2 H 4 , and N 3 H. We demonstrate that the ammonia ACE potential accurately reproduces experimental and density functional theory predicted isotherms and Hugoniots. Crucially, the potential is able to capture the intricate phase behavior of ammonia, including the transition from insulating molecular fluid to the superionic phase. This work provides a robust interatomic potential that can be used for large-scale, accurate simulations of ammonia under extreme thermodynamic conditions, offering a powerful tool for investigating its behavior in various phases and applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Elucidating ion capture and transport mechanisms of Preyssler anions in aqueous solutions using biased MACE-accelerated MD simulations

Equilibrium and biased multi-atomic cluster expansion (MACE) accelerated molecular dynamics (MD) simulations in aqueous solutions are performed to investigate the ion capture and transport mechanisms of the {P 5 W 30 } Preyssler anion (PA) as the smallest representative member of the extended polyoxometalate (POM) family with an internal cavity. The unique interatomic interactions present in the internal cavity vs the exterior of PA are carefully investigated using equilibrium MACE MD simulations for two representative Na(H 2 O)@PA and Na@PA complexes in aqueous solutions. Our careful analyses of radial distribution functions and coordination numbers show that the presence of confined water in Na(H 2 O)@PA has profound modulating effects on the nature of the interactions of the encapsulated ion with the oxygens of the PA cavity. Using well-converged MACE-accelerated multiple walker well-tempered metadynamics simulations with nanosecond timescales, two different associative (ion exchange) and dissociative (ion ejection) ion transport mechanisms were carefully investigated for Na + as one of the most abundant and representative ions present in seawater and saline solutions. By comparing systems with and without confined water, it was found that the presence of only one pre-encapsulated confined water in Na(H 2 O)@PA dramatically changes the free energy landscape of ion transport processes. It was also found that the contraction and dilation of the two windows present in PA directly influence the Na + and H 2 O transport. Furthermore, the results from this work are helpful, as they show a viable path toward tuning the ion exchange and transport phenomena in aqueous solutions of POM molecular clusters and frameworks.

25 ENERGY STORAGE↗
DOE OSTI2024

Electrical Resistivity Changes During Heating Experiments Unravel Heterogeneous Thermal‐Hydrological‐Mechanical Processes in Salt Formations

Abstract Rock salt is considered a suitable medium for the permanent disposal of heat‐generating radioactive waste due to its isolation properties. However, excavation damage and heating induce complex and heterogeneous thermal‐hydrological‐mechanical (THM) processes across different zones. Quantifying this heterogeneity is crucial for accurate long‐term performance assessment models, but traditional methods lack the necessary resolution. This study employs 4D electrical resistivity tomography (ERT) monitoring during controlled heating experiments in a salt formation to unravel the spatiotemporal dynamics of THM processes. Advanced time‐lapse inversion and clustering analysis quantify subsurface properties and map the heterogeneity of THM dynamics. The ERT results can estimate subsurface properties and delineate the damaged and intact zones, enabling appropriate parameterization and representation of processes for long‐term modeling. This approach may be used in further improving the predictive models and ensuring the safe long‐term disposal of radioactive waste in rock salt.

58 GEOSCIENCES↗
NASA NTRS1985

On percolation as a cosmological test

Difficulties in the use of percolation as a complementary statistic for the galaxy clustering pattern are pointed out by studying simple toy models and dynamical N-body models that represent the competing clustering scenarios. The percolation properties are found not to be very sensitive to the presence of pancakes and strings once they are clumpy, and hence they do not distinguish properly between models that are very different. In the case of very smooth pancakes, the ability to percolate depends on sampling parameters, such as the mean number density and the volume, in a way which is unknown a priori because it depends on the same properties that the test ought to measure. This problem could, in principle, be eased by using volume-limited samples of high mean number density (an order of magnitude denser than the CfA redshift survey volume limited at 4000 km/s) and by comparing to models of identical number density and volume. An alternative approach, based on the sampling effects themselves, may provide a qualitative test for pancakes in samples of lower densities.

Dekel, A.↗
DOE OSTI2024

Gold–Thiolate Nanocluster Dynamics and Intercluster Reactions Enabled by a Machine Learned Interatomic Potential

Monolayer protected metal clusters comprise a rich class of molecular systems and are promising candidate materials for a variety of applications. While a growing number of protected nanoclusters have been synthesized and characterized in crystalline forms, their dynamical behavior in solution, including prenucleation cluster formation, is not well understood due to limitations both in characterization and first-principles modeling techniques. Recent advancements in machine-learned interatomic potentials are rapidly enabling the study of complex interactions such as dynamical behavior and reactivity on the nanoscale. Here, we develop an Au-S-C-H atomic cluster expansion (ACE) interatomic potential for efficient and accurate molecular dynamics simulations of thiolate-protected gold nanoclusters (Au n (SCH 3 ) m ). Trained on more than 30,000 density functional theory calculations of gold nanoclusters, the interatomic potential exhibits ab initio level accuracy in energies and forces and replicates nanocluster dynamics including thermal vibration and chiral inversion. Long dynamics simulations (up to 0.1 μs time scale) reveal a mechanism explaining the thermal instability of neutral Au 25 (SR) 18 clusters. Specifically, we observe multiple stages of isomerization of the Au 25 (SR) 18 cluster, including a chiral isomer. Additionally, we simulate coalescence of two Au 25 (SR) 18 clusters and observe series of clusters where the formation mechanisms are critically mediated by ligand exchange in the form of [Au-S] n rings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

The Counterparts of the Luminous, Bursting X-ray Sources in Globular Clusters-LTSA98

Under the fifth year of the LTSA, we have extended our HST and Chandra work to a number of additional globular clusters. The remarkable sensitivity and positional accuracy of the Chandra observations are enabling us to maximally exploit HST for UV/optical identifications for X-ray binaries in the cores of multiple globular clusters. The dozens of lower-luminosity X-ray sources in each globular cluster deeply examined thus far have moved us firmly into the era of studies which encompass populations of close; the large range of cluster properties we are studying have, for the first tine, established a firm empirical confirmation of the (long-suspected theoretically) high importance that close binaries play in the dynamical stability and evolution of globular clusters. The LTSA support has been a cornerstone of our success over the past 5 years in studies of globular cluster X-ray sources and their counterparts.

Anderson, Scott F.↗
DOE OSTI2025

Exploring urban typologies using comprehensive analysis of transportation dynamics

Abstract As urban areas continue to expand and develop, categorizing cities into typologies offers a valuable framework for understanding metropolitan dynamics and fostering inter-city collaboration. However, existing typologies related to urban mobility have limitations, failing to consider cities within a single large urban region and often overlooking crucial dimensions such as trip demand and traffic flow. In this paper, we introduce a transportation-focused characterization for cities within a large urban region, specifically the San Francisco Bay Area, California. We incorporate over 40 metrics across five transportation dimensions: trip demand, road network, multi-modal network, traffic flow, and land use. Specifically, for the trip demand dimension, we include metrics capturing residents’ trip characteristics, such as mode share, intra-city trips, and inter-city trips. Additionally, we analyze the purpose of trips entering the city to gain a deeper understanding of incoming trip patterns. In the traffic flow dimension, we examine metrics like vehicle miles traveled, delay, and congestion to assess the traffic conditions on the street network. These, combined with other dimensions, provide a comprehensive view of a city’s transportation dynamics. Using unsupervised machine learning clustering methods, we identified eight distinct typologies for the Bay Area: Live Work Cities; Job and Activity Magnet Cities; Anchor Cities; Multi-modal Cities; Hyper-connected Cities; Low-density Residential Cities; Medium-density Residential Cities; and Mixed-use Residential Cities. Our findings show that many clusters are strongly influenced by trip demand and traffic flow metrics. Finally, we examine the practicality of this typology and its potential to guide collaborative transportation management strategies. The typologies provide a foundation for dialogue among Bay Area cities, focusing on evaluating shared characteristics and leveraging successes or challenges to develop unified strategies for transportation management.

Kuncheria, Anu↗
DOE OSTI2024

Exploring charge transport dynamics in a cryogenic P-type germanium detector

Abstract This study explores the dynamics of charge transport within a cryogenic P-type Ge particle detector, fabricated from a crystal cultivated at the University of South Dakota. By subjecting the detector to cryogenic temperatures and an Am-241 source, we observe evolving charge dynamics and the emergence of cluster dipole states, leading to the impact ionization process at 40 mK. Our analysis focuses on crucial parameters: the zero-field cross-section of cluster dipole states and the binding energy of these states. For the Ge detector in our investigation, the zero-field cross-section of cluster dipole states is determined to be 8.45 × 10 −11 ± 4.22 × 10 −12 cm 2 . Examination of the binding energy associated with cluster dipole states, formed by charge trapping onto dipole states during the freeze-out process, reveals a value of 0.034 ± 0.0017 meV. These findings shed light on the intricate charge states influenced by the interplay of temperature and electric field, with potential implications for the sensitivity in detecting low-mass dark matter.

Physics↗
DOE OSTI2025

Spin Decoherence Dynamics of Er 3+ in CeO 2 Films

Developing telecom-compatible spin-photon interfaces is essential towards scalable quantum networks. Erbium ions (Er 3+ ) exhibit a unique combination of a telecom (1.5 mu m) optical transition and an effective spin-1=2 ground state, but identifying a host that enables heterogeneous device integration while preserving long optical and spin coherence remains an open challenge. In this work, we explore the potential of Er 3+ :CeO 2 films on silicon and study the Er 3+ spin coherence, offering low nuclear spin density and the potential for on-chip integration. We demonstrate a 38.8 mu s spin coherence, which can be extended to 176.4 mu s with dynamical decoupling. Pairing experiments with cluster correlation expansion calculations, we identify spectral diffusion induced by bath Er 3+ spin flip-flops as the dominant decoherence mechanism and provide pathways to millisecond-scale coherence.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Current understanding of the physics of type III solar radio bursts

One of the most exciting plasma physics investigations of recent years has been connected with the understanding of a new strong turbulent plasma state excited by propagating electron beams. This new state is initiated on the linear level by parametric instabilities (OTS, modulational, etc.) and results in a very dynamic state composed of collective clusters of modes called solitons, cavitons, spikons, etc. Introduction of these concepts into the classic beam-plasma interaction problem has rendered quasi-linear and weak turbulence theories inapplicable over most of the interesting parameter range, and helped explain many paradoxes connected with the propagation of beams in the laboratory and space. Following a brief review of these nonlinear notions, the means by which their application to type III solar radiobursts has revolutionized understanding of their propagation, radioemission and scaling properties and has guided the in situ observations towards a more complete understanding are demonstrated. A particular burst (May 16, 1971) is analyzed in detail and compared with numerical predictions.

Papadopoulos, K.↗
NASA NTRS1990

Traffic placement policies for a multi-band network

Recently protocols were introduced that enable the integration of synchronous traffic (voice or video) and asynchronous traffic (data) and extend the size of local area networks without loss in speed or capacity. One of these is DRAMA, a multiband protocol based on broadband technology. It provides dynamic allocation of bandwidth among clusters of nodes in the total network. A number of traffic placement policies for such networks are proposed and evaluated. Metrics used for performance evaluation include average network access delay, degree of fairness of access among the nodes, and network throughput. The feasibility of the DRAMA protocol is established through simulation studies. DRAMA provides effective integration of synchronous and asychronous traffic due to its ability to separate traffic types. Under the suggested traffic placement policies, the DRAMA protocol is shown to handle diverse loads, mixes of traffic types, and numbers of nodes, as well as modifications to the network structure and momentary traffic overloads.

Maly, Kurt J.↗