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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Propagation of ion cyclotron emission in the DIII-D tokamak

Experiments in L- and H-mode plasmas performed on the DIII-D tokamak explored ion cyclotron emission (ICE) propagation via the recently upgraded ICE diagnostic. The distance between the plasma and the outer wall was scanned to alter the evanescent region, which was seen to impact the detection of runaway electron-driven whistler modes in a comparable frequency range to typical ICE harmonics (f≳10fci) [Heidbrink et al., Plasma Phys. Controlled Fusion 61, 014007 (2018)]. In L-mode plasmas, core ICE did not exhibit clear trends as the plasma-wall distance was altered. Instead, inadvertent changes to the fast ion density correlated with different ICE fine structures; the most spectral bands (spaced ∼150–200 kHz apart) were observed at the highest fast ion density, and a just single band when nfast decreased by ∼ 40%. The full-wave Petra-M code simulated core ICE propagation through the plasma and to ICE probes, agreeing with experimental findings that these are likely compressional fast waves, which propagate to probe locations with no dependence on plasma-wall gap. Edge ICE in H-mode plasmas was similarly unaffected by plasma-wall distance. Unlike in core ICE cases, there were negligible changes to the edge fast ion distribution and edge bulk plasma profiles. However, changes in ELM frequency seemed most closely tied to ICE behavior. Ultimately, core and edge ICE did not exhibit clear dependencies on the plasma-wall distance, and ICE harmonics were observed with even the largest plasma-wall gaps. This independence bodes well for similar diagnostics in future tokamaks, which might be placed further from high radiation areas without adversely impacting measurement capabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Investigation of the dynamics of a nonlinear optical response in glassy chalcogenide semiconductors by the pump – probe method

An analysis of the results of measurements by using the pump – probe method with a femtosecond resolution in time and computer simulation of the charge carrier kinetics have revealed two types of a nonlinear optical response in samples of chalcogenide glasses belonging to the As – S – Se system, irradiated by 50-fs laser pulses with a wavelength of 0.79 μm. The difference in the nonlinear dynamics is due to the difference in the photoexcitation character, because laser radiation can be absorbed either through bound states in the band gap or without their participation, depending on the ratio of the pump photon energy to the bandgap energy. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Necessity of capillary modes in a minimal model of nanoscale hydrophobic solvation

Modern theories of the hydrophobic effect highlight its dependence on length scale, emphasizing the importance of interfaces in the vicinity of sizable hydrophobes. We recently showed that a faithful treatment of such nanoscale interfaces requires careful attention to the statistics of capillary waves, with significant quantitative implications for the calculation of solvation thermodynamics. Here, we show that a coarse-grained lattice model like that of Chandler [Chandler D (2005) Nature 437(7059):640-647], when informed by this understanding, can capture a broad range of hydrophobic behaviors with striking accuracy. Specifically, we calculate probability distributions for microscopic density fluctuations that agree very well with results of atomistic simulations, even many SDs from the mean and even for probe volumes in highly heterogeneous environments. This accuracy is achieved without adjustment of free parameters, because the model is fully specified by well-known properties of liquid water. As examples of its utility, we compute the free-energy profile for a solute crossing the air-water interface, as well as the thermodynamic cost of evacuating the space between extended nanoscale surfaces. These calculations suggest that a highly reduced model for aqueous solvation can enable efficient multiscale modeling of spatial organization driven by hydrophobic and interfacial forces.

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

Terahertz conductivity of two-dimensional materials: a review

Two-dimensional (2D) van der Waals materials are shaping the landscape of next-generation devices, offering significant technological value thanks to their unique, tunable, and layer-dependent electronic and optoelectronic properties. Time-domain spectroscopic techniques at terahertz (THz) frequencies offer noninvasive, contact-free methods for characterizing the dynamics of carriers in 2D materials. They also pave the path toward the applications of 2D materials in detection, imaging, manufacturing, and communication within the increasingly important THz frequency range. In this paper, we overview the synthesis of 2D materials and the prominent THz spectroscopy techniques: THz time-domain spectroscopy, optical-pump THz-probe technique, and optical pump–probe THz spectroscopy. Through a confluence of experimental findings, numerical simulation, and theoretical analysis, we present the current understanding of the rich ultrafast physics of technologically significant 2D materials: graphene, transition metal dichalcogenides, MXenes, perovskites, topological 2D materials, and 2D heterostructures. Finally, we offer a perspective on the role of THz characterization in guiding future research and in the quest for ideal 2D materials for new applications.

2D materials↗
DOE OSTI2017

Measurement of the equation of state of solid-density copper heated with laser-accelerated protons

We present equation of state (EOS) measurements of solid-density copper heated to 5–10 eV. A copper sample was heated isochorically by hydrogen ions accelerated from an adjacent foil by a high intensity pulsed laser, and probed optically. The measured temperature and expansion are compared against simulations using the most up-to-date wide range EOS tables available.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Real-Time Observation of Molecular Spinning with Angular High-Harmonic Spectroscopy

We demonstrate an angular high-harmonic spectroscopy method to probe the spinning dynamics of a molecular rotation wave packet in real time. With the excitation of two time-delayed, polarization-skewed pump pulses, the molecular ensemble is impulsively kicked to rotate unidirectionally, which is subsequently irradiated by another delayed probe pulse for high-order harmonic generation (HHG). The spatiotemporal evolution of the molecular rotation wave packet is visualized from the time-dependent angular distributions of the HHG yields and frequency shift measured at various polarization directions and time delays of the probe pulse. Here, the observed frequency shift in HHG is demonstrated to arise from the nonadiabatic effect induced by molecular spinning. Different from the previous spectroscopic and Coulomb explosion imaging techniques, the angular high-harmonic spectroscopy method can reveal additionally the electronic structure and multiple orbitals of the sampled molecule. All the experimental findings are well reproduced by numerical simulations. Further extension of this method would provide a powerful tool for probing complex polyatomic molecules with HHG spectroscopy.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Measurements of the work function of single-walled carbon nanotubes encapsulated by AgI, AgCl, and CuBr using Kelvin probe technique with different kinds of probes

We report the results on the measurements of the work function of single-walled carbon nanotubes encapsulated by Agl (AgI@SWCNT), AgCl (AgCl@SWCNT), and CuBr (CuBr@SWCNT) by the local Kelvin probe technique. We found the values of the work function of tubes encapsulated with AgI and AgCl (Φ(AgI@SWCNT) = 5.08 ± 0.02, Φ(AgCl@SWCNT) = 5.10 ± 0.02 eV) to exceed substantially that of pristine carbon nanotubes, and the value of the work function of carbon nanotubes encapsulated with CuBr is Φ(CuBr@SWCNT) = 4.89 ± 0.03 (eV). The measurements are carried out using different kinds of microscope probes including multi-walled carbon nanotube tips.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Two mirror X-ray pulse split and delay instrument for femtosecond time resolved investigations at the LCLS free electron laser facility

We built a two-mirror based X-ray split and delay (XRSD) device for soft X-rays at the Linac Coherent Light Source free electron laser facility. The instrument is based on an edge-polished mirror design covering an energy range of 250 eV-1800 eV and producing a delay between the two split pulses variable up to 400 femtoseconds with a sub-100 attosecond resolution. We present experimental and simulation results regarding molecular dissociation dynamics in CH3I and CO probed by the XRSD device. In conclusion, we observed ion kinetic energy and branching ratio dependence on the delay times which were reliably produced by the XRSD instrument.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Plasmonic gold-cellulose nanofiber aerogels

Assembly of plasmonic nanomaterials into a low refractive index medium, such as an aerogel, holds a great promise for optical metamaterials, optical sensors, and photothermal energy converters. However, conventional plasmonic aerogels are opaque and optically isotropic composites, impeding them from being used as low-loss or polarization-dependent optical materials. Here we demonstrate a plasmonic-cellulose nanofiber composite aerogel that comprises of well-dispersed gold nanorods within a cellulose nanofiber network. The cellulose aerogel host is highly transparent owing to the small scattering cross-section of the nanofibers and forms a nematic liquid crystalline medium with strong optical birefringence. We find that the longitudinal surface plasmon resonance peak of gold nanorods shows a dramatic shift when probed for the cellulose aerogel compared with the wet gels. Simulations reveal the shift of surface plasmon resonance peak with gel drying can be attributed to the change of the effective refractive index of the gels. This composite material may provide a platform for three- dimensional plasmonic devices ranging from optical sensors to metamaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impact Analysis of High-Altitude Electromagnetic Pulse Coupling Effects on Power Grid Protection Relays

Protection relays are important equipment used for protection, control, and metering functions in the power grid. These relays are used to protect critical and difficult-to-replace equipment, like generators, transformers, and capacitor banks. Once the protection devices are disturbed or damaged, a high risk of power generation interruption occurs. Therefore, it is important and necessary to study the relay’s immunity to electromagnetic pulse (EMP) events. As a preliminary step toward empirical experimentation on actual equipment, this manuscript outlines an economical and efficient methodology for evaluating the impact of an EMP. An impedance measurement strategy was employed to model the equipment, setting the stage for subsequent immunity analyses. These analyses included the pulse current injection (PCI) method, which utilized an injecting probe to introduce the transient, and frequency domain electromagnetic (FEKO) simulation, which integrated electromagnetic coupling effects into the transient simulation. The impedance measurement and simulation results in this paper provide a reliable basis for gauging equipment performance in the face of HEMP threats. The results obtained using the PCI and FEKO simulations demonstrated the performance of different port responses under a high-altitude EMP, indicating the requirement for some protection to ensure the reliable operation of relays.

42 ENGINEERING↗
DOE OSTI2020

Signatures of Velocity-dependent Dark Matter Self-interactions in Milky Way-mass Halos

In this work, we explore the impact of elastic, anisotropic, velocity-dependent dark matter (DM) self-interactions on the host halo and subhalos of Milky Way (MW)--mass systems. We consider a generic self-interacting dark matter (SIDM) model parameterized by the masses of a light mediator and the DM particle. The ratio of these masses, w, sets the velocity scale above which momentum transfer due to DM self-interactions becomes inefficient. We perform high-resolution zoom-in simulations of an MW-mass halo for values of w that span scenarios in which self-interactions either between the host and its subhalos or only within subhalos efficiently transfer momentum, and we study the effects of self-interactions on the host halo and on the abundance, radial distribution, orbital dynamics, and density profiles of subhalos in each case. The abundance and properties of surviving subhalos are consistent with being determined primarily by subhalo--host halo interactions. In particular, subhalos on radial orbits in models with larger values of the cross section at the host halo velocity scale are more susceptible to tidal disruption owing to mass loss from ram pressure stripping caused by self-interactions with the host. This mechanism suppresses the abundance of surviving subhalos relative to collisionless DM simulations, with stronger suppression for larger values of w. Thus, probes of subhalo abundance around MW-mass hosts can be used to place upper limits on the self-interaction cross section at velocity scales of ~200 km s-1, and combining these measurements with the orbital properties and internal dynamics of subhalos may break degeneracies among velocity-dependent SIDM models.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

Investigation of breadboard temperature profiling system for SSME fuel preburner diagnostics

The feasibility of measuring temperatures in the space shuttle main engine (SSME) fuel preburner using spontaneous Raman scattering from molecular hydrogen was studied. Laser radiation is transmitted to the preburner through a multimode optical fiber. Backscattered Raman-shifted light is collected and focused into a second fiber which connects to a remote-located spectrograph and a mutlichannel optical detector. Optics collimate and focus laser light from the transmitter fiber defining the probe volume. The high pressure, high temperature preburner environment was simulated by a heated pressure cell. Temperatures determined by the distribution of Q-branch co-vibrational transitions demonstrate precision and accuracy of 3%. It is indicated heat preburner temperatures can be determined with 5% accuracy with spatial resolution less than 1 cm and temporal resolution of 10 millisec at the nominal preburner operation conditions.

Shirley, J. A.↗
NASA NTRS2011

Spatial and Temporal Signatures of Flux Transfer Events in Global Simulations of Magnetopause Dynamics

Flux transfer events (FTEs) were originally identified by transient bipolar variations of the magnetic field component normal to the nominal magnetopause centered on enhancements in the total magnetic field strength. Recent Cluster and THEMIS multi-point measurements provided a wide range of signatures that are interpreted as evidence for FTE passage (e.g., crater FTE's, traveling magnetic erosion regions). We use the global magnetohydrodynamic (MHD) code BATS-R-US developed at the University of Michigan to model the global three-dimensional structure and temporal evolution of FTEs during multi-spacecraft magnetopause crossing events. Comparison of observed and simulated signatures and sensitivity analysis of the results to the probe location will be presented. We will demonstrate a variety of observable signatures in magnetic field profile that depend on space probe location with respect to the FTE passage. The global structure of FTEs will be illustrated using advanced visualization tools developed at the Community Coordinated Modeling Center

Kuznetsova, Maria M.↗
NASA NTRS2019

Sidewall Effects on Exact Reynolds-Stress Budgets in an Impinging Shock Wave/Boundary Layer Interaction

Large-eddy simulations are performed using wall-resolved mesh for a Mach 2.29 impinging shock wave/boundary-layer interaction. Flow conditions are based on an experiment and therefore entire span was simulated, including the two sidewalls. Mean flow comparison with the experimental data showed that the interaction was larger in the simulation. Time-series analysis of a rake of pressure probes immediately downstream of the mean reflected shock position showed a peak in weighted power spectral density occurred about $St_{Lint}=0.01$, owing to a larger interaction length. Budgets of Reynolds-stress transport calculated across the span and along the corner bisector showed high degree of anisotropy. Merging of the secondary flows and separation along the corner gives rise to unstablecounter rotating vortices, which straddle the corner and grow in size. This also leads to a development of new behavior in the viscous sublayer along the corner bisector, where the pressure strain andmolecular diffusion mechanisms become prominent.

Vyas, Manan A.↗
DOE OSTI2025

Cooperative Role of Mixed Solvent in the Evaporation-Induced Self-Assembly of Polypeptoid Nanocrystals

Peptoids, or polypeptoids, are biomimetic polymers that can self-assemble into nanocrystals for biomedical and biotechnological applications. Polypeptoid nanocrystals can be prepared by evaporation-induced self-assembly, but the roles of solvent components for this process have long been overlooked at the molecular level, leaving a tunable parameter for improving self-assembly protocols. This work utilized molecular dynamics simulations to study the effects of water and the commonly used tetrahydrofuran (THF) on the assembly of nanosheets from molecules of acetylated diblock polypeptoid, poly-(N-decylglycine)-b-poly-(N-2-(2-(2-methoxyethoxy)-ethoxy) ethylglycine), abbreviated as Ac-Ndc10-Nte10. To probe the stages of self-assembly, isolated molecules and preassembled nanofibers/nanosheets were simulated in pure THF, water, and their mixtures, respectively. The assembly energies show that the THF/water mixture has a greater tendency to form nanosheets than pure water. In a THF/water mixture, polypeptoids were found more uncoiled in isolated states, less compact in disordered agglomerates, and with reduced requirement for the Nte block to cover hydrophobic Ndc surfaces in the nanocrystals. Mixed solvent is vital to initiating self-assembly, as THF assists in the opening of coiled polypeptoid molecules, while water provides the thermodynamics to aggregate and ultimately form nanocrystals. To obtain wider nanosheets, it is recommended that some THF be maintained in the aqueous solvent before it becomes exhausted by evaporation. Near the nanosheet surface, the THF concentration is higher than that in bulk solution (3-4 times in 4 M THF/water). The strong adsorption of THF indicates the self-assembly in a de facto mixed solvent. These results are expected to guide the refinement of evaporation-induced self-assembly protocols for polypeptoid nanocrystals.

Luo, Xubo↗
DOE OSTI2019

Probing Electrochemically Induced Structural Evolution and Oxygen Redox Reactions in Layered Lithium Iridate

In order to exploit electrochemical capacity beyond the traditionally-utilized transition metal redox reactions in lithium-metal-oxide cathode materials, it is necessary to understand the role that oxygen ions play in the charge compensation mech-anisms, i.e., to know the conditions triggering electron transfer on the oxygen ions and whether this transfer is correlated with battery capacity. Theoretical and experimental investigations of a model cathode material, Li-rich layered Li 2 IrO 3 , have been performed to study the structural and electronic changes induced by electrochemical delithiation in a lithium-ion cell. First-principles density functional theory (DFT) calculations were used to compute the voltage profile of a Li/Li 2-x IrO 3 cell at various states of charge, and the results were in good agreement with electrochemical data. Electron energy loss spectroscopy (EELS), X-ray absorption near-edge spectroscopy (XANES), resonant/non-resonant X-ray emission spectroscopy (XES), and first principles core-level spectra simulations using the Bethe Salpeter Equation (BSE) approach were used to probe the change in oxygen electronic states over the $x$ = 0 to 1.5 range. The correlated Ir M 3 -edge XANES and O K-edge XANES data provided evidence that oxygen hole states form during the early stage of delithiation at ~3.5 V due to the interaction between O $p$ and Ir $d$ states, with Ir oxidation being the dominant source of electrochemical capacity. At higher potentials, the charge capacity was predominantly attributed to oxidation of the O 2- ions. It is argued that the emergence of oxygen holes alone is not necessarily indicative of electrochemical capacity beyond transition metal oxidation, since oxygen hole states can appear as a result of enhanced mixing of O $p$ and Ir $d$ states. Prevailing mechanisms accounting for the oxygen redox mechanism in Li-rich materials were examined by theoretical and experimental X-ray spectroscopy; however, no unambiguous spectroscopic signatures of oxygen dimer interaction or non-bonding oxygen states were identified.

25 ENERGY STORAGE↗
NASA NTRS1990

Investigation of the arcjet plume near field using electrostatic probes

The near field plum of a 1 kW class arcjet thruster was investigated using electrostatic probes of various geometries. The electron number densities and temperatures were determined in a simulated hydrazine plume at axial distances between 3 cm (1.2 in) and 15 cm (5.9 in) and radial distances extending to 10 cm (3.9 in) off centerline. Values of electron number densities obtained using cylindrical and spherical probes of different geometries agreed very well. The electron density on centerline followed a source flow approximation for axial distances as near as 3 cm (1.2 in) from the nozzle exit plane. The model agreed well with previously obtained data in the far field. The effects of propellant mass flow rate and input power level were also studied. Cylindrical probes were used to obtain ion streamlines by changing the probe orientation with respect to the flow. The effects of electrical configuration on the plasma characteristics of the plume were also investigated by using a segmented anode/nozzle thruster. The results showed that the electrical configuration in the nozzle affected the distribution of electrons in the plume.

Sankovic, John M.↗