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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Direct experimental observation of mesoscopic fluorous domains in fluorinated room temperature ionic liquids

Fluorinated room temperature ionic liquids (FRTILs) represent a class of solvent media that are attracting great attention due to their IL-specific properties as well as features stemming from their fluorous nature. Medium-to-long fluorous tails constitute a well-defined apolar moiety in the otherwise polar environment. Similarly to the case of alkyl tails, such chains are expected to result in the formation of self-assembled fluorous domains. So far, however, no direct experimental observation has been made of the existence of such structural heterogeneities on the nm scale. We report here the first experimental evidence of the existence of mesoscopic spatial segregation of fluorinated domains, on the basis of highly complementary X-ray and neutron scattering data sets (highlighting the importance of the latter probe) and NMR spectroscopy. Data are interpreted using atomistic molecular dynamics simulations, emphasizing the existence of a self-assembly mechanism that delivers segregated fluorous domains, where preferential solubilisation of fluorinated compounds can occur, thus paving the way for several smart applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Ion flow and sheath structure near positively biased electrodes

What effect does a dielectric material surrounding a small positively biased electrode have on the ion flow and sheath structure near the electrode? Measurements of the ion velocity distribution function and plasma potential near positively biased electrodes were made using laser-induced fluorescence and an emissive probe. The results were compared with 2D particle-in-cell simulations. Both measurements and simulations showed that when the positive electrode was surrounded by the dielectric material, ions were accelerated toward the electrode to approximately 0.5 times the ion sound speed before being deflected radially by the electron sheath potential barrier of the electrode. The axial potential profile in this case contained a virtual cathode. In comparison, when the dielectric material was removed from around the electrode, both the ion flow and virtual cathode depth near the electrode were dramatically reduced. Furthermore, these measurements suggest that the ion presheath from the dielectric material surrounding the electrode may enclose the electron sheath of the electrode, resulting in a virtual cathode that substantially influences the ion flow profile in the region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Reexamination of hydrodynamic phonon transport in thin graphite

The recent hydrodynamic phonon transport theory for graphitic materials has been supported by the measurements of the second sound at temperatures up to about 100 K. When boundary scattering becomes comparable to momentum-conserving normal phonon scattering processes that are responsible for phonon hydrodynamics, Poiseuille phonon flow phenomena can emerge to give rise to unique size-dependent thermal conductivity in thin graphite. Here, we examine the thickness range for the Poiseuille phonon flow to become observable in thin graphite with the use of both deviational Monte Carlo simulation of the Peierls-Boltzmann transport equation and four-probe thermal transport measurements. As the basal-plane thermal conductivity calculated by prior first-principles theories saturates to the graphite value when the thickness is increased to five graphene layers, the phonon dispersion of graphite is used in the current calculations of thin graphite of micrometer thickness and a 23-layer thick ultrathin graphite (UTG) sample. The calculations show that diffuse surface scattering by surface defects can lead to Poiseuille phonon flow at 50 K in thin graphite with the thickness close to several micrometers but not in the 65 μm thin graphite and 23-layer UTG, where phonon scattering by the top and bottom surfaces become, respectively, much less and more frequent than the normal processes. In addition, the calculation results with the bulk graphite dispersion and diffuse surface scattering show decreased basal-plane thermal conductivity with decreasing thickness, opposite to recent thermocouple measurements of thin graphite samples. In comparison, the calculation results reveal that partially diffuse surface defect scattering can yield the four-probe measurement results of UTG samples, which are prepared here with an improved process to minimize surface contamination.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Programmable exploration of magnetic states in Lieb-kagome interpolated lattices

We investigate a hybrid modeling framework in which a quantum annealer is used to simulate magnetic interactions in molecular qubit lattices inspired by experimentally realizable systems. Using phthalocyanine assemblies as a structurally constrained prototype, we model a continuous deformation from a Lieb to a kagome lattice, revealing frustration-driven disorder and magnetic field-induced reordering in the spin structure. Here, the goal is to show how a quantum annealer can operate as a physically instantiated, programmable platform to emulate experimentally relevant lattice deformations and produce observables in a manner analogous to an experimental measurement, enabling the characterization of magnetic arrangements beyond the reach of current molecular architectures. This surrogate modeling approach offers a pathway to explore and iteratively design tunable magnetic states in synthetic materials. The synthetic design, structural characterization, and quantum simulation framework established here defines a modular and scalable paradigm for probing the limits of engineered matter across chemistry, condensed matter, and quantum information science.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Asymptotic Dynamics of High Dynamic Range Stratified Turbulence

Direct numerical simulations of homogeneous sheared and stably stratified turbulence are considered to probe the asymptotic high-dynamic range regime suggested by Gargett et al. [1] and Shih et al. [2]. We consider statistically stationary configurations of the flow that span three decades in dynamic range defined by the separation between the Ozmidov length scale, L O = √ ε/N 3 , and the Kolmogorov length scale, L K = (ν 3 /ε) 1/4 , up to Re b ≡ (L O /L K ) 4/3 = ε/(νN 2 ) ~ O(1000), where ε is the mean turbulent kinetic energy dissipation rate, ν is the kinematic viscosity, and N is the buoyancy frequency. We isolate the effects of Reb, particularly on irreversible mixing, from the effects of other flow parameters of stratified and sheared turbulence [3]. Specifically, we evaluate the influence of dynamic range independent of initial conditions. We present evidence that the flow approaches an asymptotic state for Re b &#10886 300, characterized both by an asymptotic partitioning between the potential and kinetic energies and by the approach of components of the dissipation rate to their expected values under the assumption of isotropy. As Re b increases above 100, there is a slight decrease in the turbulent flux coefficient Γ = χ/ε, where χ is the dissipation rate of buoyancy variance, but, for this flow, there is no evidence of the commonly suggested Γ ∝ Re b -1/2 dependence when 100 ≤ Re b ≤ 1000.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Probing Dark Matter Using Precision Measurements of Stellar Accelerations

Dark matter comprises the bulk of the matter in the Universe, but its particle nature and cosmological origin remain mysterious. Knowledge of the dark matter density distribution in the Milky Way Galaxy is crucial both to our understanding of the standard cosmological model and for grounding direct and indirect searches for the particles comprising dark matter. Current measurements of Galactic dark matter content rely on model assumptions to infer the forces acting upon stars from the distribution of observed velocities. Here, we propose to apply the precision radial velocity method, optimized in recent years for exoplanet astronomy, to measure the change in the velocity of stars over time, thereby providing a direct probe of the local gravitational potential in the Galaxy. Using numerical simulations, we develop a realistic strategy to observe the differential accelerations of stars in our Galactic neighborhood with next-generation telescopes, at the level of 10 –8 cm/s 2 . Our simulations show that detecting accelerations at this level with an ensemble of 10 3 stars requires the effect of stellar noise on radial velocity measurements to be reduced to < 10 cm/s. Furthermore, the measured stellar accelerations may then be used to extract the local dark matter density and morphological parameters of the density profile.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A comparison of ceramic and carbon-based reductants for vitrification of low-activity waste

Sucrose is the current baseline additive at the Hanford Waste Treatment and Immobilization Plant in Washington, USA to control foaming during waste feed to glass transitions and the redox state of the glass melt. Alternative reductants are being investigated to alleviate strain on effluent treatment from toxic acetonitrile production from incomplete combustion of sucrose. This study evaluates ceramic additive options including B4C, B6Si, SiC and VB2 in simulated low-activity waste feed, as well as coke dust, probing the feed volume expansion during melting as well as the gas evolution. All alternative reductant options examined significantly reduced acetonitrile production, however there was variability in their effectiveness as foam-reducing agents. VB2 and coke at the appropriate ratios were similarly effective as sucrose in controlling both foam volume and glass redox state, but with considerably less acetonitrile production. B4C, B6Si and SiC showed more promising foam control and very little acetonitrile production, however all of the final glasses were over reduced, i.e., Fe2+/FeT = 0.5. These alternative reductant studies provide operational flexibility to the operation of the vitrification plant, as well as options for alternative raw materials in industrial glass melting.

Rigby, Jessica C. (ORCID:0000000235719977)↗
DOE OSTI2025

Future North Atlantic tropical cyclone intensities in thermodynamically modified historical environments

Tropical cyclones (TCs) have ranked as the deadliest and most financially crippling natural disasters in the United States. It is imperative to assess potential shifts in TC intensity within the paradigm of an evolving climate. In this study we apply a fixed-constraint storyline approach that holds storm tracks and initial conditions constant to probe future TC intensity in the North Atlantic Basin. First, we simulate 618 historical TC events using the Risk Analysis Framework for Tropical Cyclones (RAFT)'s deep-learning intensity model. Next, we apply warming signals derived from eight CMIP6 climate scenarios and rerun each event to explore how intensities respond across scenarios. Finally, we develop an interactive dashboard that allows users to explore individual storm simulations and the scenario-modified environmental drivers. Together, this dataset and tool provide a clear, illustrative way to investigate how TC intensity responds to changes in air-sea state.

Climate Change↗
NASA NTRS1989

An experimental investigation of a low Reynolds number turbulent boundary layer subject to an adverse pressure gradient

A very low Reynolds number turbulent boundary layer subject to an adverse pressure gradient is studied. The aim is to obtain highly accurate mean-flow and turbulence measurements under conditions that can be closely related to the numerical simulations of Philippe Spalart for the purposes of CFD validation. Much of the Boundary Layer Wind Tunnel was completely rebuilt with a new wider contraction and working section which will improve compatibility with the simulations. A unique sophisticated high-speed computer controlled 3-D probe traversing mechanism was integrated into the test section. Construction of the tunnel and traverse is discussed in some detail. The hardware is now complete, and measurements are in progress. The mean-flow data indicate that a suitably two-dimensional base flow was established. Automation of the probe positioning and data acquistion have led to a decreased running time for total pressure measurements. However, the most significant benefits are expected to occur when using hot-wire probes. Calibrations can be performed automatically and there is no need to handle fragile probes when moving between measuring stations. Techniques are being developed which require sampling of the signals from moving hot-wire probes on the basis of their position in the flow. Measurements can be made in high intensity turbulence by flying probes upstream at high speed so that the relative magnitude of the turbulent velocity fluctuations are reduced. In regions, where the turbulence intensity is not too large, the probe can also be repetitively scanned across very dense spatial grids in other directions. With this technique, a complete profile can be measured in about 1/3 the time and with a spatial density about 50 times that obtainable using a stationary probe.

Watmuff, Jonathan H.↗
NASA NTRS2012

The Atacama Cosmology Telescope: A Measurement of the Thermal Sunyaev-Zel'dovich Effect Using the Skewness of the CMB Temperature Distribution

We present a detection of the unnormalized skewness (T(sup ~)(sup 2)(n(circumflex)) induced by the thermal Sunyaev-Zel'dovich (tSZ) effect in filtered Atacama Cosmology Telescope (ACT) 148 GHz cosmic microwave background temperature maps. Contamination due to infrared and radio sources is minimized by template subtraction of resolved sources and by constructing a mask using outlying values in the 218 GHz (tSZ-null) ACT maps. We measure (T(sup ~)(sup 3) (n(circumflex)) = -31 plus or minus 6 micro-K(sup 3) (measurement error only) or plus or minus 14 micro-K(sup 3) (including cosmic variance error) in the filtered ACT data, a 5sigma detection. We show that the skewness is a sensitive probe of sigma(sub 8), and use analytic calculations and tSZ simulations to obtain cosmological constraints from this measurement. From this signal alone we infer a value of sigma(sub 8) = 0.78 sup +0.03 sub -0.04 (68% C.L.) sup +0.05 sub -0.16. Our results demonstrate that measurements of nonGaussianity can be a useful method for characterizing the tSZ effect and extracting the underlying cosmological information.

Wilson, Michael J.↗
NASA NTRS2016

Global Images of Trapped Ring Current Ions During Main Phase of 17 March 2015 Geomagnetic Storm as Observed by TWINS

A unique view of the trapped particles in the inner magnetosphere provided by energetic neutral atom (ENA) imaging is used to observe the dynamics of the spatial structure and the pitch angle anisotropy on a global scale during the last 6 h of the main phase of a large geomagnetic storm (minimum SYM-H 230 nT) that began on 17 March 2015. Ion flux and pressure anisotropy obtained from Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS) ENA images are shown. The ion flux shows two peaks, an inner one at approximately radii 34 RE in the dusk-to-midnight sector and an outer peak at radii 89 RE prior to midnight. The inner peak is relatively stationary during the entire period with some intensification during the final steep decline in SYM-H to its minimum. The outer peak shows the significant temporal variation brightening and dimming and finally disappearing at the end of the main phase. The pressure anisotropy shows the expected perpendicular pitch angles inside of L 6 but shows parallel pitch angles at greater L values. This is interpreted as consistent with pitch angle-dependent drift as modeled in the Tsy05 magnetic field and Comprehensive Inner Magnetosphere-Ionosphere simulations. The TWINS results are compared directly with Radiation Belt Storm Probes Ion Composition Experiment (RBSPICE)-A measurements. Using 15 min snapshots of flux and pressure anisotropy from TWINS along the path of RBSPICE-A during the 6 h focused upon in this study, the essential features displayed in the TWINS global images are supported.

Perez, J. D.↗
DOE OSTI2021

New Mechanism for Yield Point Phenomena

Yield point phenomena (YPP) are widely attributed to discrete dislocation locking by solute atmospheres. An alternate YPP mechanism was recently suggested by simulations of Ta single crystals without any influence of solutes or discrete dislocations. The general meso-scale (GM) simulations consist of crystal plasticity (CP) plus accounting for internal stresses of geometrically necessary dislocation content. GM predicted the YPP while CP did not, suggesting a novel internal stress mechanism. The predicted YPP varied with crystal orientation and boundary conditions, contrary to expectations for a solute mechanism. The internal stress mechanism was probed by experimentally deforming oligocrystal Ta samples and comparing the results with independent GM simulations. Strain distributions of the experiments were observed with high-resolution digital image correlation. A YPP stress–strain response occurred in the 0–2% strain range in agreement with GM predictions. Shear bands appeared concurrent with the YPP stress–strain perturbation in agreement with GM predictions. At higher strains, the shear bands grew at progressively slower rates in agreement with GM predictions. It was concluded that the internal stress mechanism can account for the existence of YPP in a wide variety of materials including ones where interstitial-dislocation interactions and dislocation transient avalanches are improbable. Furthermore, the internal stress mechanism is a CP analog of various micro-scale mechanisms of discrete dislocations such as pile-up or bow-out. It may operate concurrently with strain aging, or either mechanism may operate alone. A suggestion was made for a future experiment to answer this question.

42 ENGINEERING↗
DOE OSTI2019

Strength of porous α-SiO 2 in a shock loaded environment

The strength of brittle porous media is of concern in numerous applications, for example, earth penetration, crater formation, and blast loading; thus it is of importance to possess techniques that allow for constitutive model calibration within the laboratory setting. It is the goal of the immediate work to demonstrate an experimental technique allowing for strength assessment, which can be implemented into pressure dependent yield surfaces within numerical simulation schemes. As a case study, the deviatoric strength of distended α-SiO 2 has been captured in a tamped Richtmyer- Meshkov instability environment at a pressure regime of 4-10 GPa. In contrast to traditional RMI studies used to infer strength in solids, the described approach herein is implemented to probe the behavior of the porous tamp media backing the corrugated solid surface. Hydrocode simulation has been used to interpret the experiment, and a resulting pressure-dependent yield surface akin to the often employed Modified Drucker-Prager model has been calibrated via the coupled experiment and simulation. The simulations indicate that the resulting jet length generated by the RMI is highly sensitive to the porous media strength, thereby providing a feasible experimental platform capable of capturing pressurized granular deviatoric response. Additionally, a Mach lens loading environment has also been implemented as a validation case study, demonstrating good agreement between experiment and simulation within an alternative loading environment. Calibration and validation of the pressure-dependent yield surface gives confidence to the model form, thereby providing a framework for future porous media strength studies.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Numerical simulation of the helium gas spin-up channel performance of the relativity gyroscope

The dependence of the spin-up system efficiency on each geometrical parameter of the spin-up channel and the exhaust passage of the Gravity Probe-B (GPB) is individually investigated. The spin-up model is coded into a computer program which simulates the spin-up process. Numerical results reveal optimal combinations of the geometrical parameters for the ultimate spin-up performance. Comparisons are also made between the numerical results and experimental data. The experimental leakage rate can only be reached when the gap between the channel lip and the rotor surface increases beyond physical limit. The computed rotating frequency is roughly twice as high as the measured ones although the spin-up torques fairly match.

Karr, Gerald R.↗
DOE OSTI2016

The ion polytropic coefficient in a collisionless sheath containing hot ions

The fluid approach has been widely used to study plasma sheath dynamics. For a sheath containing hot ions whose temperature is greater than the electron's, how to truncate the fluid hierarchy chain equations while retaining to the fullest extent of the kinetic effects is always a difficult problem. In this paper, a one-dimensional, collisionless sheath containing hot ions is studied via particle-in-cell simulations. By analyzing the ion energy equation and taking the kinetic effects into account, we have shown that the ion polytropic coefficient in the vicinity of the sheath edge is approximately constant so that the state equation with the modified polytropic coefficient can be used to close the hierarchy chain of the ion fluid equations. The value of the polytropic coefficient strongly depends on the hot ion temperature and its concentration in the plasma. The semi-analytical model is given to interpret the simulation results. As an application, the kinetic effects on the ion saturation current density in the probe theory are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A Practical Framework for Simulating Time-Resolved Spectroscopy Based on a Real-Time Dyson Expansion

Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on subfemtosecond time scales. The interpretation of experimental results is often enhanced by parallel numerical studies, which can provide insight and validation for experimental hypotheses. However, developing a theoretical framework for simulating time-resolved spectra remains a significant challenge. The most suitable approach involves the many-body nonequilibrium Green's function formalism, which accounts for crucial dynamical many-body correlations during time evolution. While these dynamical correlations are essential for observing emergent behavior in time-resolved spectra, they also render the formalism prohibitively expensive for large-scale simulations. Substantial effort has been devoted to reducing this computational cost─through approximations and numerical techniques─while preserving the key dynamical correlations. The ultimate goal is to enable first-principles simulations of time-dependent systems ranging from small molecules to large, periodic, multidimensional solids. Here, in this perspective, we outline key challenges in developing practical simulations for time-resolved spectroscopy, with a particular focus on Green's function methodologies. We highlight a recent advancement toward a scalable framework: the real-time Dyson expansion (RT-DE) [Phys. Rev. Lett. 2024, 133, 226902]. We introduce the theoretical foundation of RT-DE and discuss strategies for improving scalability, which have already enabled simulations of system sizes beyond the reach of previous fully dynamical approaches. We conclude with an outlook on future directions for extending RT-DE to first-principles studies of dynamically correlated, nonequilibrium systems.

Reeves, Cian C. [Univ. of California, Santa Barbar↗
DOE OSTI2016

A novel approach to neutron scattering instrumentation for probing multiscale dynamics in soft and biological matter

We present a concept and ray-tracing simulation results of a mechanical device that will enable inelastic neutron scattering measurements where the data at energy transfers from a few eV to several hundred meV can be collected in a single, gapless spectrum. Besides covering 5 orders of magnitude on the energy (time) scale, the device provides data over 2 orders of magnitude on the scattering momentum (length) scale in a single measurement. Such capabilities are geared primarily toward soft and biological matter, where the broad dynamical features of relaxation origin largely overlap with vibration features, thus necessitating gapless spectral coverage over several orders of magnitude in time and space. Furthermore, neutron scattering experiments with such a device are performed with a fixed neutron final energy, which enables measurements, with neutron energy loss in the sample, at arbitrarily low temperatures over the same broad spectral range. Lastly, this capability is also invaluable in biological and soft matter research, as the variable temperature dependence of different relaxation components allows their separation in the scattering spectra as a function of temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Material Failure Model and Properties for Puncture Simulations

Sharp tools in a production environment can puncture fragile components. This project analyzes a slender probe as it penetrates a ductile material. Finite element models of probe penetration problems need material models that are accurate through the full range of strain. Elastic properties are frequently derived and are available for most metals with a strong statistical basis. Stress-strain curves including the plastic range are limited and usually stop at the ultimate strength, where void nucleation occurs. Criteria for damage accumulation and rupture are difficult to obtain for many materials. Tests have been performed on coupons of 7075-T651 plate with three probes. The geometry of the coupon and probes are provided, as well as appropriate initial and boundary conditions. The mean energy required for each of the probes to penetrate the coupon is also provided. The objective of this project is to demonstrate three advanced material models for 7075-T651 plate with failure criteria and derive the requisite parameters for each model.

36 MATERIALS SCIENCE↗