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NASA NTRS1998

Spatially Resolved Spectroscopy of the SNR IC443

IC 443 is a supernova remnant of intermediate age, i.e. a few thousand years. It is especially interesting because part of its periphery is expanding into a molecular cloud while other sections are expanding into a typical interstellar medium of much lower density. Since the evolution of a supernova remnant through its various phases is affected by the density of the medium it expands into with the reasonable assumption that the supernova explosion was approximately symmetric we have an opportunity to observe a single object in two phases simultaneously. It was observed by ASCA in April, 1993 for a short period during the PV phase and more thoroughly in a 42 ksec exposure in March, 1994. The latter measurement provides most of the results that have been reported. Most of the analysis took place after the grant ended but is included here for completeness. The data was sent simultaneously to US and Japanese Pls. We worked independently. The software set of FTOOLs was used to construct images and spectra. They were judged to be rather unintuitive and not at all user friendly. I found I was using one FTOOL to read the header to obtain information that would only be provided to another FTOOL. The Japanese investigators were more successful. They analyzed the data and published results more rapidly. The scientific results summarized below are based primarily on their publications. Since IC 443 is an interesting example of a middle aged SNR in which a variety of processes are occurring it is one of a class. IC 443 exhibits shell-like emission in hard X-rays and extended soft X-rays with thin thermal spectra. It resembles SN 1006 in these respects. IC 443 contains hard X-rays in a semi-circular shell surrounding the thermal component. The total hard X-ray flux in the ASCA FOV is only a half of the Ginga hard component; which suggests that the hard X-rays are not confined only in the shell but some are extended larger than the ASCA FOV of eq 1 degree diameter. Japanese investigators examined the spatial structure of the thermal component and analyzed the GIS spectra with a non-equilibrium plasma model, and found no systematic variation of the interstellar absorption across the remnant. Evidence for shock acceleration of cosmic rays to high energies (10 TeV) was found by Keohane. X-ray imaging spectroscopy with ASCA reveals two regions of particularly hard emission: an unresolved source embedded in an extended emission region, and a ridge of emission coincident with the southeastern rim. Both features are located on part of the radio shell where the shock wave is interacting with molecular gas, and together they account for a majority of the emission at 7 keV. Though we would not have noticed it a priori, the unresolved feature is coincident with one resolved by the ROSAT HRI. The ASCA measurements were combined with higher energy data from the XTE and GRO missions and with radio and TeV gamma-ray data to produce a nonthermal multiwavelength spectrum for IC 443 which was fit with a cosmic ray interaction model. This model calculates the cynchrotron, bremsstrahlung, invers Compton, and neutral pion decay emission produced by locally accelerated cosmic ray interacting with ambient matter, soft photon fields, and magnetic fields.

Gorenstein, P.↗

NASA NTRS2003

Two-Pole Caustic Model for High-Energy Lightcurves of Pulsars

We present a new model of high-energy lightcurves from rotation powered pulsars. The key ingredient of the model is the gap region (i.e. the region where particle acceleration is taking place and high-energy photons originate) which satisfies the following assumptions: i) the gap region extends from each polar cap to the light cylinder; ii) the gap is thin and confined to the surface of last open magnetic-field lines; iii) photon emissivity is uniform within the gap region. The model lightcurves are dominated by strong peaks (either double or single) of caustic origin. Unlike in other pulsar models with caustic effects, the double peaks arise due to crossing two caustics, each of which is associated with a different magnetic pole. The generic features of the lightcurves are consistent with the observed characteristics of pulsar lightcurves: 1) the most natural (in terms of probability) shape consists of two peaks (separated by 0.4 to 0.5 in phase for large viewing angles); 2) the peaks possess well developed wings; 3) there is a bridge (inter-peak) emission component; 4) there is a non-vanishing off-pulse emission level; 5) the radio pulse occurs before the leading high-energy peak. The model is well suited for four gamma-ray pulsars - Crab, Vela, Geminga and B1951+32 - with double-peak lightcurves exhibiting the peak separation of 0.4 to 0.5 in phase. Hereby, we apply the model to the Vela pulsar. Moreover, we indicate the limitation of the model in accurate reproducing of the lightcurves with single pulses and narrowly separated (about 0.2 in phase) pulse peaks. We also discuss the optical polarization properties for the Crab pulsar in the context of the two-pole caustic model.

Dyks, J.↗

DOE OSTI2026

Pursuing Heteroleptic Ligand Design Principles for Photoactive Fe Complexes with Ultrafast X-ray Emission and Variable-Temperature Optical Spectroscopies

Understanding the key parameters that govern the photophysical and photochemical properties of transition metal complexes is essential for the development of efficient photosensitizers for photocatalytic applications. Achieving this objective necessitates clear and detailed investigations of their electronic excited states, for which time-resolved metal Kβ X-ray emission spectroscopy (XES) has proven highly effective. Here, we present a time-resolved Fe Kβ XES study of a heteroleptic Fe(II) polypyridyl carbene complex, [Fe(phen) 2 (C 4 H 10 N 4 )] 2+ (1; phen = 1,10-phenanthroline), utilizing both the valence-to-core and Kβ mainline spectral regions, complemented by variable-temperature transient optical absorption (VT-TA) spectroscopy. Detailed analysis of the time-resolved Kβ XES data, supported by density functional theory (DFT) calculations and an Eyring analysis of the VT-TA data, reveals parallel excited state relaxation dynamics that support an assignment of the long-lived excited state to a triplet metal-centered state. Placing these results in the context of prior studies of heteroleptic Fe(II) polypyridyl cyanide complexes motivated a series of DFT calculations to investigate the effects of ligand structural flexibility and arrangement. These calculations reinforce the experimentally derived conclusion that constraining structural flexibility with multidentate ligands significantly impacts the excited state relaxation dynamics. Furthermore, our study emphasizes that the arrangement of strong field ligands in heteroleptic complexes substantially affects the energy of Jahn–Teller active triplet metal-centered states in low-spin d 6 metal complexes. Together, these findings provide synthetic design principles for extending metal-to-ligand charge transfer excited state lifetimes of heteroleptic Fe complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1978

Gamma ray emission and solar flares

Solar gamma ray line and continuum emission provide information about particle acceleration and its temporal behavior; the energy spectrum, composition and directivity of the accelerated particles; and the composition, density and temperatures of the ambient medium. These data, coupled with the comprehensive photon and particle observations available for the sun, give a detailed picture of the particle acceleration and flare energy release processes. Additional information on elemental and isotopic abundances, surface nuclear reactions and coronal heating mechanisms can be obtained. Implications of present observations and the potential return from future observational are discussed.

Lin, R. P.↗

DOE OSTI2020

Kinetic beaming in radiative relativistic magnetic reconnection: a mechanism for rapid gamma-ray flares in jets

ABSTRACT Rapid gamma-ray flares pose an astrophysical puzzle, requiring mechanisms both to accelerate energetic particles and to produce fast observed variability. These dual requirements may be satisfied by collisionless relativistic magnetic reconnection. On the one hand, relativistic reconnection can energize gamma-ray emitting electrons. On the other hand, as previous kinetic simulations have shown, the reconnection acceleration mechanism preferentially focuses high energy particles – and their emitted photons – into beams, which may create rapid blips in flux as they cross a telescope’s line of sight. Using a series of 2D pair-plasma particle-in-cell simulations, we explicitly demonstrate the critical role played by radiative (specifically inverse Compton) cooling in mediating the observable signatures of this ‘kinetic beaming’ effect. Only in our efficiently cooled simulations do we measure kinetic beaming beyond one light crossing time of the reconnection layer. We find a correlation between the cooling strength and the photon energy range across which persistent kinetic beaming occurs: stronger cooling coincides with a wider range of beamed photon energies. We also apply our results to rapid gamma-ray flares in flat-spectrum radio quasars, suggesting that a paradigm of radiatively efficient kinetic beaming constrains relevant emission models. In particular, beaming-produced variability may be more easily realized in two-zone (e.g. spine-sheath) set-ups, with Compton seed photons originating in the jet itself, rather than in one-zone external Compton scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Conformational ensembles reveal the origins of serine protease catalysis

Enzymes exist in ensembles of states that encode the energetics underlying their catalysis. Conformational ensembles built from 1231 structures of 17 serine proteases revealed atomic-level changes across their reaction states. By comparing the enzymatic and solution reaction, we identified molecular features that provide catalysis and quantified their energetic contributions to catalysis. Serine proteases precisely position their reactants in destabilized conformers, creating a downhill energetic gradient that selectively favors the motions required for reaction while limiting off-pathway conformational states. The same catalytic features have repeatedly evolved in proteases and additional enzymes across multiple distinct structural folds. In conclusion, our ensemble-function analyses revealed previously unknown catalytic features, provided quantitative models based on simple physical and chemical principles, and identified motifs recurrent in nature that may inspire enzyme design.

Du, Siyuan [Stanford Univ., CA (United States)] (O↗

DOE OSTI2026

Nanoscale ultrafast lattice modulation with a free-electron laser

Ultrafast optical laser-based techniques have enabled the probing of atomistic processes at their intrinsic temporal scales with femto- and attosecond resolution. However, the long wavelengths of optical lasers have prevented their interrogation and manipulation with nanoscale spatial specificity. Advances in hard X-ray free-electron lasers have enabled progress in developing X-ray transient-grating spectroscopy, a technique that aims to coherently control elementary excitations with nanoscale X-ray standing waves. Thus far, the realization of this technique at the nanoscale has been a challenge. Here we demonstrate X-ray transient-grating spectroscopy with spatial periods of the order of 10 nm via the subfemtosecond synchronization of two hard X-ray pump pulses at a precisely controlled crossing angle. This creates a thermal grating and preferentially excites coherent longitudinal acoustic phonon modes with the transient-grating wavevector. On probing with a third, variably delayed, X-ray pulse with the same photon energy, time-and-wavevector-resolved measurements of the modulation of the induced scattering intensity provide evidence of ballistic thermal transport at nanometre scales. Finally, these results highlight the potential of X-ray transient gratings as a powerful platform for studying nanoscale transport in condensed matter and the coherent control of nanoscale dynamics.

nonlinear optics↗

NASA NTRS1995

Diffuse Gamma-Ray Emission from the Starburst Galaxy NGC 253

The starburst galaxy NGC 253 was observed with the Energetic Gamma Ray Experiment Telescope (EGRET) aboard the Compton Gamma Ray Observatory (CGRO) satellite. We obtain a 2 sigma upper limit to the gamma-ray emission above 100 MeV of 8 x 10(exp -8) photons/sq cm/s. Because of their large gas column densities and supernova rates, nearby starburst galaxies were predicted to have gamma-ray fluxes detectable by EGRET. Our nondetection of gamma-rays from NGC 253 motivates us to reexamine in detail the premise of supernova acceleration of cosmic rays and the effect of enhanced cloud densities, photon densities, and magnetic fields on the high-energy spectra of galaxies. By modeling the expected gamma-ray and synchrotron spectra from NGC 253, we find that up to 20% of the energy from supernovae is transferred to cosmic rays in the starburst, which is consistent with supernova acceleration models. Our calculations match the EGRET and radio data well with a supernova rate of 0.08/yr, a magnetic field B greater than or approximately equal to 5 x 10(exp -5) G, a density n approximately 300/cu cm, a photon density U(sub ph) approximately 200 eV/cu cm, and an escape timescale tau(sub o) less than or approximately equal to 10 Myr.

Bertsch, David L.↗

DOE OSTI2023

Photo-response of the $N=Z$ nucleus $^{24}$Mg

The electric E1 and magnetic M1 dipole responses of the N = Z nucleus 24 Mg were investigated in an inelastic photon scattering experiment. The 13.0 MeV electrons, which were used to produce the unpolarised bremsstrahlung in the entrance channel of the 24 Mg(γ,γ') reaction, were delivered by the ELBE accelerator of the Helmholtz-Zentrum Dresden-Rossendorf. The collimated bremsstrahlung photons excited one J π = 1 – , four J π = 1 + , and six J π = 2 + states in 24 Mg. De-excitation γ rays were detected using the four high-purity germanium detectors of the γELBE setup, which is dedicated to nuclear resonance fluorescence experiments. In the energy region up to 13.0 MeV a total B(M1)↑ = 2.7(3) $μ$$^{2}_{N}$ is observed, but this N = Z nucleus exhibits only marginal E1 strength of less than ΣB(E1)↑≤ 0.61 × 10 –3 e 2 fm 2 . The B(Π1, $1$$^{π}_{i}$ → $2$$^{+}_{1}$)/B(Π1,$1$$^{π}_{i}$ → $0$$^{+}_{gs}$) branching ratios in combination with the expected results from the Alaga rules demonstrate that K is a good approximative quantum number for 24 Mg. The use of the known ρ 2 (E0, $0$$^{+}_{2}$ → $0$$^{+}_{gs}$) strength and the measured B(M1,1 + → $0$$^{+}_{2}$)/B(M1,1 + → $0$$^{+}_{gs}$) branching ratio of the 10.712 MeV 1 + level allows, in a two-state mixing model, an extraction of the difference Δ$β$$^{2}_{2}$ between the prolate ground-state structure and shape-coexisting superdeformed structure built upon the 6432-keV $0$$^{+}_{2}$ level.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

DEVELOPMENT OF A QUANTUM ELECTRON BEAM DIAGNOSTIC APPARATUS

Spatial properties of electron beams are the essential parameters needed in particle physics and accelerator research. Beam characterization using optical detection methods through the interaction between photons and electrons such as Compton scattering, or electro-optic sampling of the electric field of electrons have been extensively explored and successfully implemented as non-invasive diagnostics at various accelerator facilities. However, such methods often suffer from inherently low sensitivity. Here we present the study of a new type of electron beam diagnostic device for direct optical imaging of electron beams at various energy levels. The concept is based on the extremely high sensitivity of atoms, prepared in a specific "dark superposition" quantum state, to the external electric or magnetic perturbations induced by the passing charged particle, which allows atoms to change polarization of the probe light or absorb probe light and to fluoresce, enabling direct 3D imaging of the charged particles with high resolution. We report our recent experiment results and the design effort on a compact apparatus intended to be tested with the relativistic electron beams at Jefferson Laboratory.

Zhang, S.↗

DOE OSTI2025

Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging

Structure-sensitive methods based on femtosecond light or electron pulses are now making it possible to measure how molecular structures change during light-induced processes. Despite significant progress, high-fidelity imaging of nuclear positions remains a challenge even for relatively small molecular systems and, notably, regarding the positions of hydrogen atoms. As demonstrated in recent work, X-ray-induced Coulomb explosion imaging (CEI) may overcome this obstacle, as its sensitivity does not depend on the mass of the imaged atoms. The photoinduced ring opening of the heterocyclic molecule 2(5 H )-thiophenone has attracted recent interest. Here, in this work, we show that CEI offers a powerful route to imaging the peripheral H atoms in this molecule and thus, more generally, to tracking detailed nuclear motions (e.g., isomerizations) in organic molecules on ultrafast time scales. Specifically, we record momentum-space Coulomb explosion images that report on the three-dimensional positioning of all nuclei within the molecule, for instance, distinguishing H atoms in C–H bonds that lie within or are directed out of the plane defined by the heavy atoms. The prospect of imaging peripheral H atoms to probe photochemical dynamics is explored by coupling ab initio molecular dynamics with classical Coulomb explosion simulations, thereby differentiating potential photoproduct isomers, including those whose structures primarily differ in the position of the hydrogens.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2002

Pulsar Polar Cap Heating and Surface Thermal X-ray Emission: Inverse Compton Radiation Pair Fronts - 2

We investigate the production of electron-positron pairs by inverse Compton scattered (ICS) photons above a pulsar polar cap (PC) and calculate surface heating by returning positrons. This paper is a continuation of our self-consistent treatment of acceleration, pair dynamics, and electric field screening above pulsar PCs. We calculate the altitude of the inverse Compton pair-formation fronts, the flux of returning positrons, and present the heating efficiencies and X-ray luminosities. We revise pulsar death lines implying cessation of pair formation, and present them in surface magnetic field-period space. We find that virtually all known radio pulsars are capable of producing pairs by resonant and nonresonant ICS photons radiated by particles accelerated above the PC in a pure star-centered dipole field, so that our ICS pair death line coincides with empirical radio pulsar death. Our calculations show that ICS pairs are able to screen the accelerating electric field only for high PC surface temperatures and magnetic fields. We argue that such screening at ICS pair fronts occurs locally, slowing but not turning off acceleration of particles until screening can occur at a curvature radiation (CR) pair front at higher altitude. In the case where no screening occurs above the PC surface, we anticipate that the pulsar gamma-ray luminosity will be a substantial fraction of its spin-down luminosity. The X-ray luminosity resulting from PC heating by ICS pair fronts is significantly lower than the PC heating luminosity from CR pair fronts, which dominates for most pulsars. PC heating from ICS pair fronts is highest in millisecond pulsars, which cannot produce CR pairs, and may account for observed thermal X-ray components in the spectra of these old pulsars.

Harding, Alice K.↗

DOE OSTI2026

Spatial Mapping of Valence Excited-State Landscapes Using Time-Resolved Shake-Down Spectroscopy

Time-resolved X-ray photoelectron spectroscopy (XPS) is used to track the photodissociation dynamics of 2-iodothiophene following 262 nm excitation. The transient XPS features include both direct ionization of the initially populated excited states and pronounced satellite peaks arising from shake-down processes. While the direct ionization signals exhibit only minimal energy shifts during C−I bond cleavage, the shake-down transitions undergo a substantial, 5 eV, shift over the reaction coordinate. By correlating these shifts with simulated C−I bond lengths, a direct structural mapping is established that reveals the exceptional sensitivity of shake-down channels to molecular geometry. These results demonstrate that shake-down transitions provide a new and powerful probe of ultrafast structural dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

A tutorial on high-order harmonic generation in atoms, molecules, and condensed matter

This tutorial introduces strong-field-driven high-order harmonics, their experimental generation and characterization techniques, and their main applications including attosecond pulse generation and ultrafast spectroscopy of the target material. We begin from the use of atomic targets, where the first high-order harmonic generation (HHG) experiments were realized in the late 1980s. Then, we briefly discuss the basics of the microscopic generation mechanism and how various steps of the mechanism were exploited in applications such as generating isolated attosecond pulses and probing molecular orbitals. We introduce and describe the standard experimental approaches for condensed phase HHG, where we discuss unique technical challenges of the use of solid-state materials, such as the mitigation of plasma formation and laser damage. We cover the fundamentals of high-harmonic spectroscopy in condensed matter systems, such as wide bandgap dielectrics, semiconductors, liquid media, and 2D-crystals. We provide some examples of rapidly emerging spectroscopic capabilities, such as for probing crystal symmetries, Berry phases, and associated non-trivial topological properties of the source material. Finally, we provide an overview of the research field, including some of the challenges, opportunities, and open questions.

Attosecond pulses↗

DOE OSTI2021

Metal Chalcogenides for Neuromorphic Computing: Emerging Materials and Mechanisms

The approaching end of Moore's Law scaling has significantly accelerated multiple fields of research including neuromorphic-, quantum-, and photonic computing, each of which possesses unique benefits unobtained through conventional binary computers. One of the most compelling arguments for neuromorphic computing systems is power consumption, noting that computations made in the human brain are approximately 106 times more efficient than conventional CMOS logic. This review article focuses on the materials science and physical mechanisms found in metal chalcogenides that are currently being explored for use in neuromorphic applications. We begin by reviewing the key biological signal generation and transduction mechanisms within neuronal components of mammalian brains and subsequently compare with observed experimental measurements in chalcogenides. With robustness and energy efficiency in mind, we will focus on short-range mechanisms such as structural phase changes and correlated electron systems that can be driven by low-energy stimuli, such as temperature or electric field. We aim to highlight fundamental materials research and existing gaps that need to be overcome to enable further integration or advancement of metal chalcogenides for neuromorphic systems.

36 MATERIALS SCIENCE↗

DOE OSTI2024

An Update on MicroBooNE’s Inclusive Single Photon Low Energy Excess Search

The MicroBooNE detector is a Liquid Argon Time Project Chamber (LArTPC) detector whose primary design goal is to understand the "low-energy-excess" anomaly seen by MiniBooNE. MicroBooNE's currently published results see no excess consistent with the MiniBooNE observation, emphasizing a need for improved searches in more channels. This note summarizes MicroBooNE's inclusive single photon selection using Wire-Cell reconstruction and pattern recognition, which is used to search for a low-energy-excess (LEE) anomaly in the inclusive single photon channel. The selection is similar to the Wire-Cell inclusive electron neutrino selection, but with a different signal definition and some modifications and additions to the pattern recognition tools. A selection with 7.0% efficiency and 40.2% purity is achieved for our targeted single photon signal simulated events.

43 PARTICLE ACCELERATORS↗

NASA NTRS1991

High-energy neutrinos from active galactic nuclei

The spectrum and high-energy neutrino background flux from photomeson production in active galactic nuclei (AGN) is calculated using the recent UV and X-ray observations to define the photon fields and an accretion-disk shock-acceleration model for producing high-energy particles. Collectively, AGN produce the dominant isotropic neutrino background between 10,000 and 10 to the 10th GeV, detectable with current instruments. AGN neutrinos should produce a sphere of stellar disruption which may explain the 'broad-line region' seen in AGN.

Stecker, F. W.↗

NASA NTRS1999

Radiation Effects: Core Project

The risks to personnel in space from the naturally occurring radiations are generally considered to be one of the most serious limitations to human space missions, as noted in two recent reports of the National Research Council/National Academy of Sciences. The Core Project of the Radiation Effects Team for the National Space Biomedical Research Institute is the consequences of radiations in space in order to develop countermeasure, both physical and pharmaceutical, to reduce the risks of cancer and other diseases associated with such exposures. During interplanetary missions, personnel in space will be exposed to galactic cosmic rays, including high-energy protons and energetic ions with atomic masses of iron or higher. In addition, solar events will produce radiation fields of high intensity for short but irregular durations. The level of intensity of these radiations is considerably higher than that on Earth's surface, and the biological risks to astronauts is consequently increased, including increased risks of carcinogenesis and other diseases. This group is examining the risk of cancers resulting from low-dose, low-dose rate exposures of model systems to photons, protons, and iron by using ground-based accelerators which are capable of producing beams of protons, iron, and other heavy ions at energies comparable to those encountered in space. They have begun the first series of experiments using a 1-GeV iron beam at the Brookhaven National Laboratory and 250-MeV protons at Loma Linda University Medical Center's proton synchrotron facility. As part of these studies, this group will be investigating the potential for the pharmaceutical, Tamoxifen, to reduce the risk of breast cancer in astronauts exposed to the level of doses and particle types expected in space. Theoretical studies are being carried out in a collaboration between scientists at NASA's Johnson Space Center and Johns Hopkins University in parallel with the experimental program have provided methods and predictions which are being used to assess the levels of risks to be encountered and to evaluate appropriate strategies for countermeasures. Although the work in this project is primarily directed toward problems associated with space travel, the problem of protracted exposures to low-levels of radiation is one of national interest in our energy and defense programs, and the results may suggest new paradigms for addressing such risks.

Dicello, John F.↗