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Results for “Simulated Probes”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing

In this manuscript, we quantitatively calculated the thermodynamic properties of critical nuclei of Cr precipitates in FeCr alloys. The concentration profiles of the critical nuclei and nucleation energy barriers were predicted by the constrained shrinking dimer dynamics (CSDD) method. It is found that Cr concentration distribution in the critical nuclei strongly depend on the overall Cr concentration as well as temperature. The critical nuclei are non-classical because the concentration in the nuclei is smaller than the thermodynamic equilibrium value. These results are in agreement with atomic probe observation. The growth kinetics of both classical and non-classical nuclei was investigated by the phase field approach. The simulations of critical nucleus evolution showed a number of interesting phenomena: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrate that it is critical to introduce the correct critical nuclei in order to correctly capture the kinetics of precipitation.

Critical nucleus↗
DOE OSTI2022

Numerical studies on saturated kink and sawtooth induced fast ion transport in JET ITER-like plasmas

Here, this presentation examines the energetic particle transport induced by saturated kink modes and sawtooth crashes in JET deuterium plasmas. It is known that kink mode-resonant transport and phase-space redistribution from sawtooth crashes can drive strong fast ion transport with dependencies on particle pitch and energy. Measurements with JET's Faraday cup fast ion loss detector array have shown that the internal kink growth phase preceding sawtooth crashes produces substantial fast ion losses. This report will numerically investigate the dominant energetic particle transport mechanism with a detailed examination of the fast ion phase-space dependencies, resonances, orbit topology changes, induced losses, and redistribution associated with the long-lived, resonant, kink mode and non-resonant sawtooth crash. The ORBIT-kick model forms the basis of the transport studies with realistic fast ion distributions produced from TRANSP. A recently created reduced model for sawtooth induced transport is used while the saturated kink modes are modeled with ideal MHD codes. The simulations were further validated against experiment with a newly developed synthetic Faraday cup fast ion loss detector in addition to scintillator probe and neutron measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Negative capacitance regime in ferroelectrics demystified from nonequilibrium molecular dynamics

Negative capacitance regime in ferroelectrics is associated with the negative slope in the dependence of the polarization on electric field and is prohibited by the laws of equilibrium thermodynamics. Very recently, it developed into a controversial but very productive area with a promise for next generation low-power transistors. At least, in part, the controversies arise from the lack of direct experimental insight into the mechanism for such phenomena. Although the experimental insight is, indeed, challenging at present, we probe the effect in ferroelectric PbTiO 3 bulk and a thin film with realistic first-principles-based nonequilibrium molecular dynamics simulations which model most closely experimental conditions. Here, the following insights emerge from the simulations: (i) the ferroelectric never enters the thermodynamically forbidden region even under extreme rates of electric-field application; (ii) the negative slope naturally arises when the compensating charge is either scarce or slowed down by the external circuitry; (iii) the negative slope is well controlled by the interplay between the applied step pulse field and the amount of the screening charge. The latter can be used to design the negative capacitance regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Vacuum acceleration of electrons in a dynamic laser pulse

A planar laser pulse propagating in vacuum can exhibit an extremely large ponderomotive force. This force, however, cannot impart net energy to an electron: As the pulse overtakes the electron, the initial impulse from its rising edge is completely undone by an equal and opposite impulse from its trailing edge. Here we show that planar-like “flying focus” pulses can break this symmetry, imparting relativistic energies to electrons. The intensity peak of a flying focus—a moving focal point resulting from a chirped laser pulse focused by a chromatic lens—can travel at any subluminal velocity, forward or backward. As a result, an electron can gain enough momentum in the rising edge of the intensity peak to outrun and avoid the trailing edge. Accelerating the intensity peak can further boost the momentum gain. Furthermore, theory and simulations demonstrate that these dynamic intensity peaks can backwards accelerate electrons to the MeV energies required for radiation and electron diffraction probes of high-energy-density materials.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Early Career. Harnessing nanotechnology for fusion plasma-material interface research in an in-situ particle-surface interaction facility

This project consisted of fundamental and applied research of advanced in-situ particle-beam interactions with surfaces/interfaces to discover novel materials able to tolerate intense conditions at the plasma-material interface (PMI) in future fusion burning plasma devices. The project established a novel facility that is capable of not only characterizing new fusion nanomaterials but, more importantly probing and manipulating materials at the nanoscale while performing subsequent single-effect in-situ testing of their performance under simulated environments in fusion PMI.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1988

Probe-evoked event-related potential techniques for evaluating aspects of attention and information processing

The study of probe event related potentials (probe ERPs) is reviewed. Several recent experiments are described which seem to leave in doubt the usefulness of applying ERP to simulation and field conditions as well as laboratory situations. Relatively minor changes in the experimental paradigm can produce major shifts in ERP findings, for reasons that are not clear. However, task-elicited ERPs might be used on a flight simulator if the experimenter takes time of arrival of the eyes on a particular instrument as one variable of concern and dwell time on the instrument as a second variable. One can then look at ERPs triggered by saccade termination for fixation pauses of specified durations. It may well be that ERP to a momentarily important display will differ from that elicited by routine instrument check.

Stern, John A.↗
NASA NTRS1988

Experimental program for real gas flow code validation at NASA Ames Research Center

The experimental program for validating real gas hypersonic flow codes at NASA Ames is described. Ground based test facilities used include ballistic ranges, shock tubes and shock tunnels, arcjet facilities and heated air hypersonic wind tunnels. Also included are large scale computer systems for kinetic theory simulations and benchmark code solutions. Flight tests consist of the Aeroassist Flight Experiment, the Space Shuttle, Project Fire 2, and planetary probes such as Galileo, Pioneer Venus and PAET.

Deiwert, George S.↗
NASA NTRS1989

Experimental program for real gas flow code validation at NASA Ames Research Center

The experimental program for validating real gas hypersonic flow codes at NASA Ames Rsearch Center is described. Ground-based test facilities used include ballistic ranges, shock tubes and shock tunnels, arc jet facilities and heated-air hypersonic wind tunnels. Also included are large-scale computer systems for kinetic theory simulations and benchmark code solutions. Flight tests consist of the Aeroassist Flight Experiment, the Space Shuttle, Project Fire 2, and planetary probes such as Galileo, Pioneer Venus, and PAET.

Deiwert, George S.↗
NASA NTRS1988

Recovery of excitation intensity dependence in pulsed, focused beams - Nonsaturated case

It is shown how the dependence of a nonsaturated excitation process on local, instantaneous intensity can be obtained from temporally and spatially unresolved data by inversion, even for a nonuniform intensity distribution in the probe volume. This treatment is in contrast with the usual approach in which effects of nonuniform excitation are either disregarded or simulated. For exponential intensity profiles, the solution is obtained in the form of an Abel inversion. The ill-conditioned nature of the problem is demonstrated, and extension to the study of intensity-dependent line shapes is made.

Ruyten, Wilhelmus M.↗
NASA NTRS1993

Gravity as a probe for understanding pattern specification

Amphibian eggs from Xenopus laevis were employed as a model system. Xenopus embryos were demonstrated to be sensitive to novel force fields. Under clinostat-simulated weightlessness the location of the third cleavage furrow was shifted towards the equator; the dorsal lip was shifted closer to the vegetal pole; and head and eye dimensions of hatching tadpoles were enlarged. Effects of centrifuge-simulated hypergravity were the opposite of those of simulated weightlessness. Those morphological alterations had their own force-sensitive period, and a substantial spawning-to-spawning variation in sensitivity was observed. Despite those dramatic differences in embryogenesis, tadpoles at the feeding stage were largely indistinguishable from controls.

Malacinski, George M.↗
NASA NTRS2003

Aerogel Composites for Aerospace Thermal Protection

Aerogel composites formed by infiltrating organic and/or inorganic aerogels into fiber matrix materials enable us to exploit the low thermal conductivity and low density of aerogels while maintaining the strength, structure and other useful properties of a porous fiber matrix. New materials for extreme heating ranges are needed to insulate future spacecraft against the extreme heat of planetary atmospheric entry, but the insulation mass must be minimized in order to maximize the payload. A reusable system passively insulates to survive heating unchanged for relatively low heating. Ablators, which sacrifice mass to control heating, are used to protect vehicles against more extreme heating for a single use thermal protection system (TPS). Aerogel composites were fabricated and tested for spacecraft thermal protection. The high-temperaturey high heat flux tests described in this paper were performed in NASA Ames arc-jet facilities to simulate spacecraft atmospheric entry, and include heating conditions predicted for the forebody and backshell of the Mars Science Lander (MSL) entry probe. The aerogel composites tested showed excellent thermal performance in the arc-jet tests, functioning both as reusuable insulation under lower heat fluxes, and as ablative aerogels under the extreme heating predicted for the MSL forebody.

White, Susan↗
NASA NTRS2004

A Comparison of Experimental EPMA Data and Monte Carlo Simulations

Monte Carlo (MC) modeling shows excellent prospects for simulating electron scattering and x-ray emission from complex geometries, and can be compared to experimental measurements using electron-probe microanalysis (EPMA) and phi(rho z) correction algorithms. Experimental EPMA measurements made on NIST SRM 481 (AgAu) and 482 (CuAu) alloys, at a range of accelerating potential and instrument take-off angles, represent a formal microanalysis data set that has been used to develop phi(rho z) correction algorithms. The accuracy of MC calculations obtained using the NIST, WinCasino, WinXray, and Penelope MC packages will be evaluated relative to these experimental data. There is additional information contained in the extended abstract.

Carpenter, P. K.↗
DOE OSTI2024

On the nature of two-photon transitions for a collection of molecules in a Fabry–Perot cavity

Here, we investigate the effect of a cavity on nonlinear two-photon transitions of a molecular system and we analyze how such an effect depends on the cavity quality factor, the field enhancement, and the possibility of dephasing. We find that the molecular response to strong light fields in a cavity with a variable quality factor can be understood as arising from a balance between (i) the ability of the cavity to enhance the field of an external probe and promote multiphoton transitions more easily and (ii) the fact that the strict selection rules on multiphoton transitions in a cavity support only one resonant frequency within the excitation range. Although our simulations use a classical level description of the radiation field (i.e., we solve Maxwell–Bloch or Maxwell–Liouville equations within the Ehrenfest approximation for the field–molecule interaction), based on experience with this level of approximation in the past studies of plasmonic and polaritonic systems, we believe that our results are valid over a wide range of external probing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

LyMAS: Predicting large-scale Lyα forest statistics from the dark matter density field

We describe Lyα Mass Association Scheme (LyMAS), a method of predicting clustering statistics in the Lyα forest on large scales from moderate-resolution simulations of the dark matter (DM) distribution, with calibration from high-resolution hydrodynamic simulations of smaller volumes. We use the 'Horizon-MareNostrum' simulation, a 50 h {sup –1} Mpc comoving volume evolved with the adaptive mesh hydrodynamic code RAMSES, to compute the conditional probability distribution P(F{sub s} |δ {sub s}) of the transmitted flux F{sub s} , smoothed (one-dimensionally, 1D) over the spectral resolution scale, on the DM density contrast δ {sub s}, smoothed (three-dimensionally, 3D) over a similar scale. In this study we adopt the spectral resolution of the SDSS-III Baryon Oscillation Spectroscopic Survey (BOSS) at z = 2.5, and we find optimal results for a DM smoothing length σ = 0.3 h {sup –1} Mpc (comoving). In its simplest form, LyMAS draws randomly from the hydro-calibrated P(F{sub s} |δ {sub s}) to convert DM skewers into Lyα forest pseudo-spectra, which are then used to compute cross-sightline flux statistics. In extended form, LyMAS exactly reproduces both the 1D power spectrum and one-point flux distribution of the hydro simulation spectra. Applied to the MareNostrum DM field, LyMAS accurately predicts the two-point conditional flux distribution and flux correlation function of the full hydro simulation for transverse sightline separations as small as 1 h {sup –1} Mpc, including redshift-space distortion effects. It is substantially more accurate than a deterministic density-flux mapping ({sup F}luctuating Gunn-Peterson Approximation{sup )}, often used for large-volume simulations of the forest. With the MareNostrum calibration, we apply LyMAS to 1024{sup 3} N-body simulations of a 300 h {sup –1} Mpc and 1.0 h {sup –1} Gpc cube to produce large, publicly available catalogs of mock BOSS spectra that probe a large comoving volume. LyMAS will be a powerful tool for interpreting 3D Lyα forest data, thereby transforming measurements from BOSS and other massive quasar absorption surveys into constraints on dark energy, DM, space geometry, and intergalactic medium physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Evaluating the Structural Response of Amphiphilic Monolayers to Environmental Stimuli

Amphiphilic monolayers composed of end groups with distinct polar and nonpolar functional groups offer rapid and reversible interfacial adaptation in response to environmental stimuli such as a change in interfacial medium polarity. We have synthesized and characterized a suite of monolayers with functional groups of competing polarity designed to reconfigure their interfacial chemical composition in response to solvent polarity. In these films, the end group is designed to be able to reorient and expose the functional groups that minimize the interfacial free energy between the film and the environment. Using a combination of spectroscopic, computational, and wettability studies, we have investigated the responsive interfacial behavior of different end groups upon exposure to environments with varying polarities. Contact angle measurements across a series of polar and dispersive probe liquids reveal trends that reflect the underlying molecular flexibility and composition. Vibrational sum frequency generation (SFG) spectroscopy and atomistic molecular dynamics (MD) simulations confirm solvent-driven reorientation of the end groups, with restructuring observed at the interface. To quantify these effects, we have developed a surface energy calculation model that incorporates solvent-induced surface rearrangements into the estimations. Our findings reveal a strong dependence of surface energy and switching behavior on the length and flexibility of the functionalities in the end group, which affects the exposure of certain interfacial compositions under different solvents. These results offer new insights into the design of adaptive monolayers and provide a framework for evaluating solvent-responsive surfaces.

functional groups↗
DOE OSTI2025

Long timescale solvation dynamics and confinement: The case of non-ionic deep eutectic solvents of lauric acid and N-methylacetamide

Microscopic segregation and molecular heterogeneities in complex liquids are the result of the interplay between different intermolecular forces, all of which contribute to the energy landscape of the system. A consequence of the intricate energy landscape is the nontrivial effect on the solvation dynamics. Here, the impact of molecular heterogeneities on the solvation dynamics is studied using infrared spectroscopies and molecular dynamics simulations. In particular, this study focuses on the dynamical effect of nanoscopic heterogeneities present in deep eutectic solvents (DESs) composed of lauric acid (LA) and N-methylacetamide (NMA). To this end, a molecular probe containing a carbon triple bond is used as an infrared reporter. The results show that the vibrational probe is likely to be located in the NMA polar domains. Furthermore, the probe solvation dynamics derived from the 2DIR spectra presents a slowdown of its timescale with increasing LA concentration in the DES. Kubo modeling of the probe solvation dynamics shows a correlation between the amplitude of its long time component and the presence of molecular heterogeneities in the sample. Semiclassical modeling of the vibrational line shape of the triple bond stretch demonstrates that the heterogeneities affect the whole solvation dynamics of the system through the amplitudes of the frequency fluctuations. Molecular dynamics simulations confirm the experimental results and their interpretation by showing a slowdown of the solvation dynamics when the LA heterogeneities are present. Overall, the study presents a molecular framework to explain the effect of confinement created by nanoscopic LA heterogeneities on the solvation dynamics of the system.

Chemical compounds↗