Search NASA⌕ Search

SEARCH · Search NASA

Results for “PURE STATES”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Solid state electrolyte composites based on complex hydrides and metal doped fullerenes/fulleranes for batteries and electrochemical applications

A LiBH4—C 60 nanocomposite that displays fast lithium ionic conduction in the solid state is provided. The material is a homogenous nanocomposite that contains both LiBH 4 and a hydrogenated fullerene species. In the presence of C 60 , the lithium ion mobility of LiBH 4 is significantly enhanced in the as prepared state when compared to pure LiBH 4 . After the material is annealed the lithium ion mobility is further enhanced. Constant current cycling demonstrated that the material is stable in the presence of metallic lithium electrodes. The material can serve as a solid state electrolyte in a solid-state lithium ion battery.

25 ENERGY STORAGE↗
NASA NTRS1998

Bacteriorhodopsin Material and Film Fabrication Issues for Holographic Applications

We discuss issues associated with bacteriorhodopsin (BR) materials and films that affect optical performance in holographic applications. For the D85N variant, some critical parameters include degree of hydration and recording wavelength. The quantum efficiency of the molecular state transition is observed to be apparently dependent on the illumination wavelength. We explain this effect by modeling the photo-activity of the D85N variant as two competing photocycles between the 9-cis and 13-cis retinal configurations. We are able to determine the pure excited P-state absorbance spectrum from the ground state spectrum and mixed population spectra obtained by bleaching to steady-state conditions.

Downie, John D.↗
DOE OSTI2023

Polarons and electrical leakage in BaZrO 3 and BaCeO 3

The proton conductors barium zirconate (BaZrO 3 , or BZO), barium cerate (BaCeO 3 , or BCO), and their alloys have attracted considerable interest as solid-state electrolytes in solid-oxide fuel and electrolysis cells. However, the reasons for their non-negligible electrical conductivity, which can limit their performance, are not fully understood. To address that question, we use first-principles calculations based on density functional theory to study the properties of hole and electron polarons in BZO and BCO. We confirm that hole polarons form in both materials, slightly more favorably in BCO. Electron polarons, on the other hand, are stable only in BCO and in Ce-containing alloys; in pure BZO, electron polaron states are unfavorable relative to free carriers, though they become accessible when Ce impurities are introduced. In general, doped BZO and BCO will have negligible electron concentrations, but larger concentrations of holes and hole polarons may be present. Avoiding extreme O-rich conditions and limiting dopant concentrations are key strategies for reducing significant p -type electrical leakage. Furthermore, our results provide physical insights into the different electronic behaviors of BZO and BCO, which can be used to optimize their performance as pure ionic conductors.

08 HYDROGEN↗
DOE OSTI2025

Short-range spin freezing in the double trillium lattice spin-liquid candidate KSrFe 2 ⁢(PO 4 ) 3 revealed via 31 P NMR

A comprehensive 31 P nuclear magnetic resonance (NMR) study, combined with thermodynamic measurements and first-principles band-structure calculations, has been conducted to explore the ground state of the 𝑆=5/2 double trillium lattice antiferromagnet KSrFe 2 ⁢(PO 4 ) 3 . Our experimental results indicate that the magnetic ground state is neither a conventional three-dimensional (3D) long-range order (LRO) nor a pure gapless spin-liquid state, as conjectured previously [Boya et al., APL Mater. 10, 101103 (2022)]. Specifically, the observation of a nearly field-independent NMR linewidth below 𝑇* = (3.5 ± 0.4)⁢ K, and a significant enhancement of spin-spin relaxation rate 1/𝑇 2 below 2⁢𝑇* (where 𝑇* is the characteristic temperature identified from the magnetic susceptibility), indicate a complex magnetic ground state where spin freezing coexists with persistent dynamics. Furthermore, we argue that the lack of magnetic LRO and the persistence of strong magnetic fluctuations in KSrFe 2 ⁢(PO 4 ) 3 are unlikely to originate from intersite K/Sr disorder, rather they arise due to intrinsic magnetic frustration. In conclusion, our findings position KSrFe 2 ⁢(PO 4 ) 3 into a broader family of geometrically frustrated magnets characterized by coexisting spin freezing and pronounced antiferromagnetic fluctuations, marking it as a promising platform for investigating exotic phenomena in 3D frustrated magnets.

Exotic phases of matter↗
DOE OSTI2025

Noble dark matter: Surprising elusiveness of dark baryons

Dark matter could be a baryonic composite of stronglyc upled constituents transforming under SU⁡(2) 𝐿 . We classify the SU⁡(2) 𝐿 representations of baryons in a class of simple confining dark sectors and find that the lightest state can be a pure singlet or a singlet that mixes with other neutral components of SU⁡(2) 𝐿 representations, which strongly suppresses the dark matter candidate’s interactions with the Standard Model. We focus on models with a confining SU⁡(𝑁 𝑐 ) and heavy dark quarks constituting vectorlike 𝑁 𝑓 -plet of SU⁢(2) 𝐿 . For benchmark 𝑁 𝑐 and 𝑁 𝑓 , we calculate baryon mass spectra, incorporating electroweak gauge boson exchange in the nonrelativistic quark model, and demonstrate that above TeV mass scales, dark matter is dominantly a singlet state. The combination of this singlet nature with the recently discovered ℋ-parity results in an inert state analogous to noble gases, hence we coin the term noble dark matter. Our results can be understood in the nonrelativistic effective theory that treats the dark baryons as elementary states, where we find singlets accompanying triplets, 5-plets, or more exotic representations. This generalization of WIMP-like theories is more difficult to find or rule out than dark matter models that include only a single SU⁡(2) 𝐿 multiplet (such as a wino), motivating new searches in colliders and a reanalysis of direct and indirect detection prospects in astrophysical observations.

dark matter direct detection↗
NASA NTRS2011

All-Solid-State 2.45-to-2.78-THz Source

Sources in the THz range are required in order for NASA to implement heterodyne instruments in this frequency range. The source that has been demonstrated here will be used for an instrument on the SOFIA platform as well as for upcoming astrophysics missions. There are currently no electronic sources in the 2 3- THz frequency range. An electronically tunable compact source in this frequency range is needed for lab spectroscopy as well as for compact space-deployable heterodyne receivers. This solution for obtaining useful power levels in the 2 3- THz range is based on utilizing power-combined multiplier stages. Utilizing power combining, the input power can be distributed between different multiplier chips and then recombined after the frequency multiplication. A continuous wave (CW) coherent source covering 2.48 2.75 THz, with greater than 10 percent instantaneous and tuning bandwidth, and having l 14 W of output power at room temperature, has been demonstrated. This source is based on a 91.8 101.8-GHz synthesizer followed by a power amplifier and three cascaded frequency triplers. It demonstrates that purely electronic solid-state sources can generate a useful amount of power in a region of the electromagnetic spectrum where lasers (solid-state or gas) were previously the only available coherent sources. The bandwidth, agility, and operability of this THz source has enabled wideband, high-resolution spectroscopic measurements of water, methanol, and carbon monoxide with a resolution and signal-to-noise ratio unmatched by other existing systems, providing new insight in the physics of these molecules. Further - more, the power and optical beam quality are high enough to observe the Lamb-dip effect in water. The source frequency has an absolute accuracy better than 1 part in 1012, and the spectrometer achieves sub-Doppler frequency resolution better than 1 part in 108. The harmonic purity is better than 25 dB. This source can serve as a local oscillator for a variety of heterodyne systems, and can be used as a method for precision control of more powerful but much less frequency-agile quantum mechanical terahertz sources.

Mehdi, Imran↗
DOE OSTI2021

Electronic Coherence and Coherent Dephasing in the Optical Control of Electrons in Graphene

Electronic coherence is of utmost importance for the access and control of quantum-mechanical solid-state properties. Using a purely electronic observable, the photocurrent, we measure a lower bound of the electronic coherence time of 22 ± 4 fs in graphene. The photocurrent is ideally suited to measure electronic coherence, as it is a direct result of coherent quantum-path interference, controlled by the delay between two ultrashort two-color laser pulses. The maximum delay for which interference between the population amplitude injected by the first pulse interferes with that generated by the second pulse determines the electronic coherence time. In particular, numerical simulations reveal that the experimental data yields a lower bound on the electronic coherence time, masked by coherent dephasing due to the broadband absorption in graphene. Overall, we expect that our results will significantly advance the understanding of coherent quantum control in solid-state systems ranging from excitation with weak fields to strongly driven systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Verification of a specialized hydrodynamic simulation code for modeling deflagration and detonation of high explosives

A specialized hydrodynamic simulation code has been developed and verified for the simulation of one-dimensional unsteady problems involving the detonation and deflagration of high explosives. To model all the relevant physical processes in these problems, a code is required to simulate compressible hydrodynamics, unsteady thermal conduction, and chemical reactions with complex rate laws. Several verification exercises are presented which test the implementation of these capabilities. The code also requires models for physics processes such as equations of state and conductivity for pure materials and mixtures as well as rate laws for chemical reactions. Additional verification tests are required to ensure that these models are implemented correctly. Though this code is limited in the types of problems it can simulate, its computationally efficient formulation allows it to be used in calibration studies for reactive burn models for high explosives. Furthermore, this study demonstrates how a series of verification tests can be used to ensure that the various physics processes needed to simulate complex phenomenon can be tested to ensure that they are correctly implemented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Formulation and solution approach for calibrating activity-based travel demand model-system via microsimulation

This study addresses the problem of calibrating utility-maximizing nested logit activity-based travel demand model-systems. After estimation, it is common practice to use aggregate measurements to calibrate the estimated model-system’s parameters prior to their application in transportation planning, policy making, and operations. However, calibration of activity-based model-systems has received much less attention. Existing calibration approaches are myopic heuristics in the sense that they do not consider the fundamental inter-dependencies among choice-models and do not have a systematic way to adjust model parameters. Also, other purely simulation-based approaches do not perform well in large-scale applications. In this study, we focus on utility-maximizing nested logit activity-based model-systems and calibrating aggregate statistics such as activity shares, mode shares, time-dependent & mode-specific OD flows, and time-dependent & mode-specific sensor counts. We formulate the calibration problem as a simulation-based optimization problem and propose a stochastic gradient-based solution procedure to solve it. The solution procedure relies on microsimulation to calculate expectations of the aggregate statistics of interest to the calibration problem. Additionally, we derive approximate analytical expressions for the gradient of the objective function —that are evaluated through microsimulation on mini-batches of the population. The proposed solution procedure is sensitive to the fundamental structure of the activity-based model-system and is non-myopic in considering the dependencies across its model components. The formulated optimization problem is non-convex, highly nonlinear, and potentially has multiple-minima. Lastly, we show —through a real-world application— that the proposed solution procedure outperforms other state-of-the-art purely simulation-based optimization approaches in terms of computational efficiency, stability, and convergence. We also compare various gradient-based solution algorithms to determine the best algorithm to update the parameters. This work has the potential to facilitate wider and easier application of activity-based model-systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Radically Engineered Modular Air Separation System with Tailored Oxygen Sorbents

The commercial energy sector relies heavily on fossil fuel conversion, and in the process releases a significant amount of CO 2 . A promising technology to utilize fossil fuels with relatively affordable CO 2 capture is gasification. However, it requires a pure oxygen stream. The current state of the art method to produce oxygen is cryogenic air separation, which supercools air to a liquid, and then using distillation columns to separate the components. While this method has been thoroughly studied, it only has a 25% efficiency from a second law standpoint and therefore requires a significant amount of energy (and associated emissions) for oxygen production. This, then, lowers the incentive for carbon capture within a plant, so alternative methods need to be investigated. One potential method, chemical looping air separation (CLAS), is a promising method to replace state of the art oxygen generation technologies. CLAS utilizes a cyclic redox scheme with an oxygen sorbent to create pure oxygen streams. This approach typically utilizes a dual reactor scheme where the oxygen deficient sorbent enters the first reactor and is subjected to high oxygen partial pressures to re-oxidize the sorbent. Then the sorbent is sent to the reducing reactor, where it is subjected to low oxygen partial pressure (steam or vacuum) to releases oxygen. The overarching objective of this project was to discover the principles for rational design and optimization of oxygen sorbents and process design to ensure the process is a viable replacement for cryogenic air separation, especially in the context of modular gasification systems. This was done through development, characterization, testing, and analyses of (a) high temperature mixed composite oxides; (b) low temperature doped perovskite oxides (A1 x A2 1-x B1 y B2 1-y O 3 ); (c) scale up synthesis and testing of the optimized sorbent particles; (d) process design and analyses of the CLAS system in the context of modular gasification applications.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Testing CP properties of the Higgs boson coupling to τ leptons with heterogeneous graphs

In this paper we explore the possibility of utilizing Deep Learning in measuring the CP properties of the coupling of Higgs boson to τ leptons at the High Luminosity Large Hadron Collider. We employ three Deep Learning (DL) networks, Multi-Layer Perceptron (MLP), Graph Convolution Network (GCN), and Graph Transformer Network (GTN) to enhance signal-to-background separation. The angle between τ lepton decay planes at the detector level is CP-sensitive observables, and we develop Heterogeneous Graphs that integrate diverse node and edge structures to incorporate the CP-sensitive observable efficiently. Using simplified detector simulations we estimate the reconstruction accuracy of the angle between τ lepton planes at the detector level, considering hadronic τ decay modes and standard model backgrounds. With $\sqrt{s}$ = 14 TeV and $\mathcal{L}$ = 100 fb -1 , MLP excludes CP mixing angles above 20° at 68% confidence level (CL), while GCN and GTN achieve exclusions at 90% CL and 95% CL, respectively. The networks also achieve a 3σ significance in excluding a pure CP-odd state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Undulator radiation of single electrons: coherence length and quantum-optical properties

The aims of the CLARA experiment at the Fermilab Integrable Optics Test Accelerator (IOTA) were to directly measure the coherence length of undulator radiation emitted by a single electron and to test whether the radiation is in a pure classical Glauber coherent state or in a quantum mixture of coherent and Fock states. We used a Mach-Zehnder interferometer (MZI) to study visible radiation generated by 150-MeV electrons circulating in the ring. The relative delay between the two arms of the MZI was adjusted by varying the length of one of them with a resolution of 10 nm. The intensity of the circulating beam spanned several orders of magnitude, down to single electrons. A pair of single-photon avalanche diodes (SPADs) was placed at the output of the MZI arms to detect photocounts with high efficiency and timing resolution. We describe the observed interference patterns and photocount rates as a function of interferometer delay and discuss their implications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Undulator Radiation of Single Electrons: Coherence Length and Quantum-Optical Properties

The aims of the CLARA experiment at the Fermilab Integrable Optics Test Accelerator (IOTA) were to directly measure the coherence length of undulator radiation emitted by a single electron and to test whether the radiation is in a pure classical Glauber coherent state or in a quantum mixture of coherent and Fock states. We used a Mach-Zehnder interferometer (MZI) to study visible radiation generated by 150-MeV electrons circulating in the ring. The relative delay between the two arms of the MZI was adjusted by varying the length of one of them with a resolution of 10 nm. The intensity of the circulating beam spanned several orders of magnitude, down to single electrons. A pair of single-photon avalanche diodes (SPADs) was placed at the output of the MZI arms to detect photocounts with high efficiency and timing resolution. We describe the observed interference patterns and photocount rates as a function of interferometer delay and discuss their implications.

43 PARTICLE ACCELERATORS↗
NASA NTRS1993

Positive phase space distributions and uncertainty relations

In contrast to a widespread belief, Wigner's theorem allows the construction of true joint probabilities in phase space for distributions describing the object system as well as for distributions depending on the measurement apparatus. The fundamental role of Heisenberg's uncertainty relations in Schroedinger form (including correlations) is pointed out for these two possible interpretations of joint probability distributions. Hence, in order that a multivariate normal probability distribution in phase space may correspond to a Wigner distribution of a pure or a mixed state, it is necessary and sufficient that Heisenberg's uncertainty relation in Schroedinger form should be satisfied.

Kruger, Jan↗
NASA NTRS1994

Transition correlations in three-dimensional boundary layers

The stability and transition characteristics of three-dimensional boundary-layer flows are examined. First, the flow over a rotating cone is considered computationally. An increase of stagnation temperature is found to be only slightly stabilizing. Parameter studies on the simple rotating-cone geometry provide a large database of three-dimensional boundary-layer profiles and associated stability characteristics. To determine the possibility of correlating transition location with parameters based purely on basic-state three-dimensional boundary-layer profile characteristics, an empirical transition location of N = 9 is assumed. Transition location does not correlate with the traditional crossflow Reynolds number. A more appropriate definition for crossflow Reynolds number is found and termed R(sub cf(new)). This new parameter appears to correlate for transition location when plotted against maximum crossflow velocity. Then, the flow over a yawed cone is considered experimentally. The correlation results obtained from the rotating-cone work are applied to the actual measured transition locations on two different yawed-cone models under various angle-of-attack conditions in two different experimental facilities and are verified. This correlation is only suggested as a tool for preliminary transition prediction and design in three-dimensional boundary layers; once a preliminary shape is selected, further linear stability theory or parabolized stability equation calculations are strongly urged.

Reed, Helen L.↗
NASA NTRS2004

Separating essentials from incidentals: an execution architecture for real-time control systems

This paper describes an execution architecture that makes such systems far more analyzable and verifiable by aggressive separation of concerns. The architecture separates two key software concerns: transformations of global state, as defined in pure functions; and sequencing/timing of transformations, as performed by an engine that enforces four prime invariants. The important advantage of this architecture, besides facilitating verification, is that it encourages formal specification of systems in a vocabulary that brings systems engineering closer to software engineering.

execution architecture↗
NASA NTRS2020

Inter-species molecular attraction effect in the development of a two-species mixing layer

Simulations of fluid mixing occurring at high-pressures mandate the use of real-fluid equations of state to capture the effect of boh intermolecular repulsive forces and attractive forces which are neglected in perfect gases. Dedicated mixing rules account for these forces by providing a generic mapping of the mixture state-space onto a pure fluid domain. However, the specific inter-species molecular forces depend on the particular characteristics of the molecular pairs under consideration, and typically require the knowledge of binary interaction coefficients k_{αβ}. The impact of k_{αβ} on a flow field is as of now unclear; further, k_{αβ} is unknown for many molecular pairs and when unknown, set to be null. This study addresses the impact of k_{αβ} on the temporal evolution of a real-fluid mixing layer and uses Direct Numerical Simulation (DNS) to explore this impact. The results show differences between augmented attraction (k_{αβ}<0) and diminished attraction (k_{αβ}>0), affecting both fluid dynamics and diffusion processes. Specifically, in a binary mixing layer, it is observed that augmented attraction leads to delayed transition and mixing layer growth, manifested in the momentum layer thickness. The fractal dimension, which is a manifestation of interface corrugation, is calculated. These results provide an hitherto undocumented mechanism affecting the development of mixing layers.

Banuti, Daniel↗