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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High-resolution X-ray structure of Gln143Asn manganese superoxide dismutase captures multiple hydrogen peroxide-binding sites

Human mitochondrial manganese superoxide dismutase (MnSOD) converts superoxide into hydrogen peroxide and molecular oxygen, serving as a key defence against oxidative damage. Despite extensive studies, the full structural characterization of H 2 O 2 -binding sites in MnSOD remains largely unexplored. Previous H 2 O 2 -soaked MnSOD structures have identified two distinct H 2 O 2 -binding sites: one directly ligated to the catalytic manganese (LIG position) and another at the active-site gateway (PEO position) between the second-shell residues Tyr34 and His30. In this study, a kinetically impaired Gln143Asn MnSOD variant is used to trap and explore additional H 2 O 2 -binding sites beyond the second-shell solvent gate. In the wild-type enzyme, Gln143 mediates proton transfers with the manganese-bound solvent (WAT1) to drive redox cycling of the metal, which is necessary for effective superoxide dismutation. Substitution with Asn stalls catalysis because the increased distance from WAT1 disrupts critical proton-coupled electron-transfer (PCET) events, and the redox cycling of the active-site metal is impaired. This, in turn, stalls the electrostatic cycling of positive charge on the enzyme surface and enhances the likelihood of trapping transient H 2 O 2 -bound states in this variant. The results reveal several H 2 O 2 molecules leading up to the active site, in addition to the canonical LIG and PEO positions.

Dasgupta, Medhanjali [University of Nebraska Medic↗
DOE OSTI2025

Electrodynamics of photo-carriers in multiferroic Eu 0.75 Y 0.25 MnO 3

Understanding and controlling the antiferromagnetic order in multiferroic materials on an ultrafast time scale is a long standing area of interest, due to their potential applications in spintronics and ultrafast magnetoelectric switching. We present an optical pump-terahertz (THz) probe study on multiferroic Eu 0.75 Y 0.25 MnO 3 . The optical pump predominantly excites the d-d transitions of the Mn 3+ ions, and the temporal evolution of the pump-induced transient conductivity is measured with a subsequent THz pulse. Two distinct, temperature-dependent decay times are revealed. The shorter relaxation time corresponds to spin-lattice thermalization, while the longer one is ascribed to electron-hole recombination. A spin-selection rule in the relaxation process is proposed in the magnetic phase. Slight suppression of the electromagnons was observed after the optical pump pulse within the spin-lattice thermalization time scale. These observed fundamental magnetic processes can shed light on ultrafast control of magnetism and photoinduced phase transitions in multiferroics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1976

Gamma-ray astronomy: Nuclear transition region

This monograph reviews the major theoretical and experimental efforts made during the past 12 years in gamma-ray astronomy over the energy range from 10 keV to about 100 MeV, where nuclear-transition lines are expected. Early attempts to detect celestial gamma rays are recounted, mechanisms of gamma-ray line and continuum production are examined, and formulas giving the various possible differential gamma-ray spectral shapes are provided. Predicted fluxes are discussed for solar gamma rays as well as for gamma emission from supernova remnants, supernovae, neutron stars, flare stars, the galactic core and disk, black holes, and diffuse sources. Gamma-ray interactions with matter are analyzed, particularly the photoelectric effect, Compton scattering from free electrons, and pair production in nuclear fields. Significant results are summarized for observations of gamma rays from the sun as well as from point and extended sources within and beyond the Galaxy, including diffuse fluxes and transient gamma-ray bursts. Factors pertaining to the design of gamma-ray astronomy experiments are considered, especially detector background limitations, gamma-ray production within instruments, and present-day detection methods.

Chupp, E. L.↗
NASA NTRS1981

On the shape and orientation control of an orbiting shallow spherical shell structure

A proposed method for controlling the shape and orientation of very large shallow dish type receiver/reflectors to be used in communication, radiometry and in electronic orbital based mail systems involves connecting a rigid light weight dumbell with heavy tip masses to the shell at its apex by a spring loaded double gimballed joint with dampling. To completely damp the system transient motion in all of the important lower frequency modes, an active control system is required. A mathematical model is extended to include the effects of point actuators located at preselected positions on the shell surface. The formulation of the uncontrolled dynamics assumes an a priori knowledge of the frequencies of all the elastic modes to be incorporated within the system model. As an example, three rigid body modes and six elastic modes are included in the model and six actuators are assumed, none of which lies on a nodal line or circle.

Bainum, P. M.↗
NASA NTRS1984

A model for equatorial explosive spread F

Explosive spread F was first described by Woodman and LaHoz (1976). In such events the 50 MHz radar signal rises at Jicamarca to 10-20 dB above the noise level within a few milliseconds but then disappears within 100 ms or less. It has been suggested that electric fields from thunderstorms might drive a plasma instability which could cause these echoes, and recent observations (Woodman and Kudeki, 1984) provide convincing evidence for this triggering. Here, the instability mechanism is discussed and it is shown that transient thunderstorm electric fields comparable to those recently observed by rockets in the midlatitude ionosphere could excite a rapidly growing two-stream plasma instability that is driven by the ExB drift of the F region electrons in the short period (less than the ion gyroperiod) before the ions reach the same velocity.

Kelley, M. C.↗
NASA NTRS1987

Frequency domain laser velocimeter signal processor: A new signal processing scheme

A new scheme for processing signals from laser velocimeter systems is described. The technique utilizes the capabilities of advanced digital electronics to yield a smart instrument that is able to configure itself, based on the characteristics of the input signals, for optimum measurement accuracy. The signal processor is composed of a high-speed 2-bit transient recorder for signal capture and a combination of adaptive digital filters with energy and/or zero crossing detection signal processing. The system is designed to accept signals with frequencies up to 100 MHz with standard deviations up to 20 percent of the average signal frequency. Results from comparative simulation studies indicate measurement accuracies 2.5 times better than with a high-speed burst counter, from signals with as few as 150 photons per burst.

Meyers, James F.↗
NASA NTRS1991

Urodynamic pressure sensor

A transducer system was developed for measuring the closing pressure profile along the female urethra, which provides up to five sensors within the functional length of the urethra. This new development is an improvement over an earlier measurement method that has a smaller sensor area and was unable to respond to transient events. Three sensors were constructed; one of them was subjected to approximately eight hours of use in a clinical setting during which 576 data points were obtained. The complete instrument system, including the signal conditioning electronics, data acquisition unit, and the computer with its display and printer is described and illustrated.

Moore, Thomas↗
NASA NTRS1991

A study of ignition and simulation circuits for arcjet thrusters, part 1

A 1 kW electronic load was programmed to simulate the nonlinear i-v (volt-ampere) characteristics of an arcjet, both ignited and unignited. The simulator was tested and found to closely resemble an arcjet both for large transients and small perturbances up to about 40 kHz. No attempt was made to simulate the ignition process itself. The dynamic behavior of the arcjet (and the simulator) was shown to differ significantly from that of a resistor bank. Previous research led to the design and construction of a 1 kW arcjet power supply. A high voltage ignition circuit was added to this hardware, and tests on a 1 kW arcjet were performed at NASA-Lewis. All tests were successful and no ignition failures were observed. Circuit documentation and test results are included.

Stuart, Thomas A.↗
NASA NTRS1992

A model for nonlinear collisionless reconnection

The time dependence and scaling of the electric and magnetic field components during the nonlinear phase of reconnection of 'thin' unstable neutral layers (thickness approximately equals electron gyroradius) are investigated. Solutions to model equations show an initial interval of rapid growth and subsequent large-amplitude fluctuations of the trapped magnetic flux and the ion kinetic energy. The fluctuations arise from the transient formation, merging, and dissolution of magnetic islands.

Lovelace, R. V. E.↗
NASA NTRS2002

Discovery of Cyclotron Resonance Features in the Soft Gamma Repeater SGR 1806-20

We report evidence for cyclotron resonance features from the Soft Gamma Repeater SCR 1806-20 in outburst, detected with the Rossi X-ray Timing Explorer in the spectrum of a long, complex precursor that preceded a strong burst. The features consist of a narrow 5.0 keV absorption line with modulation near its second and third harmonics (at 11.2 keV and 17.5 keV respectively). The line features are transient and are detected in the harder part of the precursor. The 5.0 keV feature is strong, with an equivalent width of approx. 500 eV, and a narrow width of < 0.4 keV. Interpreting the features as electron cyclotron lines in the context of accretion models leads to a large mass-radius ratio (M/R > 0.3 Solar Mass/km) that is inconsistent with neutron stars, or requires a low (5 - 7) x 10(exp 11) G magnetic field that is unlikely for SGRs. The line widths are also narrow compared to those of electron cyclotron resonances observed so far in X-ray pulsars. In the magnetar picture, the features are plausibly explained as ion cyclotron resonances in an ultra-strong magnetic field, which have recently been predicted from magnetar candidates. In this view, the 5.0 keV feature is consistent with a proton cyclotron fundamental whose energy and width are close to model predictions. The line energy would correspond to a surface magnetic field of 1.0 x 10(exp 15) G for SGR 1806-20, in good agreement with that inferred from the spin-down measure in the source.

Ibrahim, A. I.↗
NASA NTRS2018

Behavior of Langmuir Probes in Non-Equilibrium Plasmas

Langmuir probes are diagnostic tools used to determine electron temperature, number density, and plasma potential. Irving Langmuir first used an electrostatic probe in the 1920s to find these characteristics in ionized gases. Single, double, and triple Langmuir probes are commonly used in plasma diagnostics because of their relative simplicity. In the single probe, a swept voltage is applied between the probe tip and circuit common to acquire a waveform showing the collected current as a function of applied voltage. A double Langmuir probe consists of two tips, both inserted into the plasma, with a voltage applied between them. As this voltage is swept, a current-voltage characteristic is measured. In a triple probe three probe tips are electrically coupled to each other with constant non-swept voltages applied between each of the tips. The voltages are selected to represent three points on the single Langmuir probe I-V curve. Elimination of the voltage sweep makes it possible to measure time-varying plasma properties in transient plasmas. Triple Langmuir probe measurements have been widely employed for various types of plasmas, including pulsed and time-varying plasmas such as those seen in pulsed plasma thrusters (PPTs), dense plasma focus devices, plasma flows, and fusion experiments. The typical Langmuir probe analysis for determining electron temperature and number density of the plasma (for a single, double, or triple Langmuir probe) includes an assumption that the plasma is in thermal equilibrium. While the this assumption may be justified for some applications, it is unlikely that it is fully justifiable for pulsed and time-varying plasmas or for the entire time a plasma device is in use. In the present work, we model the responses of Langmuir probes as they are inserted into a range of simple equilibrium and non-equilibrium plasmas. We return to basic governing equations of probe current collection and compute the current to the probes for a distribution function consisting of two Maxwellian distributions with different temperatures (the two-temperature Maxwellian). A variation of this method is also employed, where one of the Maxwellians is offset from zero (in velocity space) to add a suprathermal beam of electrons to the tail of the main Maxwellian distribution (the bump-on-the-tail distribution function). For a range of parameters in these non-Maxwellian distributions, we compute the current collection to the probes. Comparing the distribution function that was assumed a priori with the plasma density and temperature one would infer when applying standard probe theory to analyze the collected currents serves to illustrate the effect a non- Maxwellian plasma would have on results interpreted using the equilibrium probe current collection theory, allowing us to state the magnitudes of these deviations as a function of the assumed distribution function properties.

Polzin, Kurt A.↗
DOE OSTI2016

Detection of Special Nuclear Material in Cargo using Continuous Neutron Interrogation and Tension Metastable Fluid Detectors

This paper presents results using a novel technique for detecting special nuclear materials (SNMs) based on interrogation with a continuous beam of 2.45 MeV neutrons coupled with high intrinsic efficiency tensioned metastable fluid detectors (TMFDs) operated in threshold rejection mode. While passive interrogation may be utilized for detecting SNMs such as {sup 239}Pu from their strong spontaneous fission neutron signatures, this is not so for highly-enriched uranium (HEU), the timely detection of which has been identified as a grand challenge by the U.S. Domestic Nuclear Detection Office (DNDO). Active (neutron and/or photon based) interrogation represents the only viable means for detecting HEU either shielded or unshielded within cargo containers. Active interrogation by neutrons or photons leads to unequivocal induced fission based signatures in terms of neutron energy and multiplicity. The main challenge under such circumstances pertains to being able to discern the relatively weak emission signatures from the intense interrogation pulses of neutrons and/or photons. Purdue University together with Sagamore Adams Laboratories, LLC (SAL) has been developing the TMFD sensor system that promises to provide high neutron detection efficiency for fast and thermal neutrons while remaining gamma-beta blind. As described in these references, the TMFD sensor system works on the principle of transient cavitation detection events (CDEs) caused by ionizing particles such as neutrons, alphas and fission fragments in fluids that have been placed in various states of tensioned (sub-zero) pressure states of fluid metastability. Such CDEs result in recordable signatures - both electronically as for conventional detectors, but also in the form of audio-visual signals. One key advantage that the TMFD holds over conventional neutron detectors is that it has proven gamma-beta 'blindness' and indeed, confirmed to possess GARRn = 1.0 to γ photons (tested in up to 10{sup 11} γ/s field from a 3 Ci {sup 137}Cs source). Such an enablement allows for detection without saturation from background, interrogating and fission created γ photons. Another key attribute is up to 60 % intrinsic fission spectrum neutron detection efficiency which, furthermore, is amenable to tailoring for threshold based rejection. That is, to be able to detect neutrons at or above a desired energy with good efficiency, while remaining relatively blind to neutrons below the chosen threshold. This research is the subject of our ongoing DNDO project at Purdue University, the results of which form the basis of this paper. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Ultrafast One-Dimensional Peierls-Distortion Dynamics in 1⁢T′−Re⁢S 2 Revealed by 4D Electron Microscopy

Rhenium disulfide (ReS 2 ), a prototypical 2D semiconductor with an anisotropic 1⁢T′ structure due to the pronounced Peierls distortion, has demonstrated great potential for polarization-dependent optoelectronics and photonics. Here, we report an ultrafast phase transition occurring within 1 ps, accompanied by a one-dimensional Peierls-distortion relaxation in 1⁢T′−ReS 2 revealed with combined 4D electron microscopy and time-dependent density functional theory calculations. Upon femtosecond laser pulse excitation, the Re-Re dimerization morphology rapidly transforms from a diamond cluster to zigzag chains and persists for several nanoseconds. Here, this ultrafast Peierls-distortion relaxation is further verified by transient changes in optical anisotropy via polarization-dependent transient absorption spectroscopy. Time-dependent density functional theory calculations attribute this novel phase transition to strong correlation between Peierls distortion and impulsive photoexcited carrier doping, predicting a transient band-gap collapse. This Letter opens up an exciting avenue for ultrafast control of Peierls-distortion-induced anisotropy and the metal-insulator transition in 1⁢T′−ReS 2 .

1T’-ReS2↗
DOE OSTI2021

Variable frequency response testbed to validate protective relays up to 20 kHz☆

Microgrids operate in islanding or utility grid mode. In islanding mode, distributed energy sources with power electronics inverters can generate fault currents over a wide range of frequencies. To gain a better understanding of the nature of these events, it is crucial to measure currents at frequencies of up to 20 kHz at transient states with protective relays. Protective relays at these frequency responses should be tested prior to being installed in microgrids. However, testing at high-frequency currents cannot be done with Relay Test Equipment (RTE) that generate signals up to 50th Harmonic for 60 Hz (3 kHz). In this study, a frequency response method and testbed for high-frequency currents of up to 20.16 kHz was developed and tested. The testbed utilized a RTE and High-Frequency Power Source/ Amplifier. Furthermore, frequency relay experiments were run at frequencies of up to 1 and 20.16 kHz at a current magnitude of 0.1 and 0.5 A, respectively. The events were collected, and the current magnitude and frequency were plotted at time and frequency domain, respectively. The study of current magnitude and frequencies of up to 20.16 kHz for two overcurrent relays was performed and validated the variable frequency testbed and methodology.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Benchmarking magnetised three-wave coupling for laser backscattering: analytic solutions and kinetic simulations

Understanding magnetised laser–plasma interactions is important for controlling magneto-inertial fusion experiments and developing magnetically assisted radiation and particle sources. For nanosecond pulses at non-relativistic intensities, interactions are dominated by coherent three-wave interactions, whose nonlinear coupling coefficients became known only recently when waves propagate at oblique angles with the magnetic field. In this paper, backscattering coupling coefficients predicted by warm-fluid theory are benchmarked using particle-in-cell simulations in one spatial dimension, and excellent agreements are found for a wide range of plasma temperatures, magnetic field strengths and laser propagation angles, when the interactions are mediated by electron-dominant hybrid waves. Systematic comparisons between theory and simulations are made possible by a rigorous protocol. On the theory side, the initial boundary value problem of linearised three-wave equations is solved, and the transient-time solutions allow the effects of growth and damping to be distinguished. On the simulation side, parameters are carefully chosen and calibration runs are performed to ensure that comparisons are well controlled. Fitting simulation data to analytical solutions yields numerical growth rates that match theory predictions within error bars. Although warm-fluid theory is found to be valid for a wide parameter range, genuine kinetic effects have also been observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Role of Macromolecular Structure in the Ultrafast Energy and Electron Transfer Dynamics of a Light-Harvesting Polymer

Ultrafast energy and electron transfer (EnT and ET, respectively) are characterized in a light-harvesting assembly based on a π-conjugated polymer (poly(fluorene)) functionalized with broadly absorbing pendant organic isoindigo (iI) chromophores using a combination of femtosecond transient absorption spectroscopy and large-scale computer simulation. Photoexcitation of the π-conjugated polymer leads to near-unity quenching of the excitation through a combination of EnT and ET to the iI pendants. The excited pendants formed by EnT rapidly relax within 30 ps, whereas recombination of the charge-separated state formed following ET occurs within 1200 ps. A computer model of the excited-state processes is developed by combining all-atom molecular dynamics simulations, which provides a molecular-level view of the assembly structure, with a kinetic model that accounts for the multiple excited-state quenching pathways. In conclusion, direct comparison of the simulations with experimental data reveals that the underlying structure has a dramatic effect on the partitioning between EnT and ET in the polymer assembly, where the distance and orientation of the pendants in relation to the backbone serve to direct the dominant quenching pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Pt-Assisted Carbon Remediation of Mo2C Materials for CO Disproportionation

Using the CO disproportionation (Boudouard) reaction as a probe reaction, an in-depth analysis of temperature-programmed pulse response data shows that the addition of Pt to Mo2C mitigates deactivation of Mo active sites by acting as a carbon collector. CO2 production on Mo2C and Pt/Mo2C materials is dependent on both the activation energy and the CO surface concentration. Detailed plane-wave density functional theory calculations of the CO adsorption and disproportion reactions on Mo2C-supported Pt nanoparticles (NPs) are reported. The Mo2C was modeled by the ß-Mo2C (100) surface, and the Pt/Mo2C interface was modeled by the addition of 12 Pt atoms to the Mo2C (100) surface (12Pt@Mo2C). The potential energy surfaces of the Boudouard reaction were calculated on pure Mo2C, 12Pt@Mo2C, and Pt (111) surfaces. CO dissociation readily occurs on the Mo2C (100) surface, but not on the Pt (111) surface, with the former being exothermic and the latter being endothermic. At the Pt/Mo2C interface, CO dissociation is still exothermic, but with a larger energy barrier. The Boudouard reaction takes place on the Mo2C region, where CO2 is formed from a surface O atom dissociated from one CO molecule in reaction with another CO molecule, leaving one C atom on the surface. C adsorption is preferential on the Pt site in comparison to the Mo site. The supported Pt domains can collect the remaining C atoms, facilitating further CO2 formation on the active Mo sites. A Bader charge analysis shows that the surface metal-carbon bond is a mixture of covalent and ionic bonds, whereas the surface metal-oxygen bond is ionic. Electron localization function (ELF) and partial charge density calculations agree well with the Bader charge analysis. These computational results are consistent with experimental observations of the interaction of CO with Mo2C nanotube supported Pt domains in the transient regime under far from equilibrium conditions. The Boudouard reaction is an important side reaction, and the unexpected role found for Pt as a carbon collector, with Mo serving as a disproportionation site, provides a unique vantage point for understanding carbon and coke formation on catalytic materials.

Pt-assisted carbon remediation, Pt/Mo2C interface,↗
DOE OSTI2018

Visible Light Driven Bromide Oxidation and Ligand Substitution Photochemistry of a Ru Diimine Complex

We report the complex [Ru(deeb)(bpz) 2 ] 2+ ( RuBPZ 2+ , deeb = 4,4'-diethylester-2,2'-bipyridine, bpz = 2,2'-bipyrazine) forms a single ion pair with bromide, [ RuBPZ 2+ , Br – ] + , with K eq = 8400 ± 200 M –1 in acetone. The RuBPZ 2+ displayed photoluminescence (PL) at room temperature with a lifetime of 1.75 μs. The addition of bromide to a RuBPZ 2+ acetone solution led to significant PL quenching and Stern–Volmer plots showed upward curvature. Time-resolved PL measurements identified two excited state quenching pathways, static and dynamic, which were operative toward [ RuBPZ 2+ , Br – ] + and free RuBPZ 2+ , respectively. The single ion-pair [ RuBPZ 2+ , Br – ] + * had a lifetime of 45 ± 5 ns, consistent with an electron transfer rate constant, k et = (2.2 ± 0.3) × 10 7 s –1 . In contrast, RuBPZ 2+ * was dynamically quenched by bromide with a quenching rate constant, k q = (8.1 ± 0.1) × 10 10 M –1 s –1 . Nanosecond transient absorption revealed that both the static and dynamic pathways yielded RuBPZ + and Br 2 •– products that underwent recombination to regenerate the ground state with a second-order rate constant, k cr = (2.3 ± 0.5) × 10 10 M –1 s –1 . Kinetic analysis revealed that RuBPZ + was a primary photoproduct, while Br 2 •– was secondary product formed by the reaction of a Br • with Br – , k = (1.1 ± 0.2) × 10 10 M –1 s –1 . Marcus theory afforded an estimate of the formal reduction potential for E 0 (Br •/– ) in acetone, 1.42 V vs NHE. A 1 H NMR analysis indicated that the ion-paired bromide was preferentially situated close to the Ru II center. Prolonged steady state photolysis of RuBPZ 2+ and bromide yielded two ligand-substituted photoproducts, cis - and trans -Ru(deeb)(bpz)Br 2 . Finally, a photochemical intermediate, proposed to be [Ru(deeb)(bpz)(κ 1 -bpz)(Br)] + , was found to absorb a second photon to yield cis - and trans -Ru(deeb)(bpz)Br 2 photoproducts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗