Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ionization processes”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,045 records · Page 58

Microbial Pigments and Their Degradation Products as Biosignatures

Carotenoids are a class of vibrant biological pigments that have a characteristic chemical structure centered around a polyene core (Lu et al. 2018). Carotenoids and their derivatives are candidate biosignatures because they can persist in the terrestrial geologic record for up to 1.73 billion years (Vinnichenko et al. 2020), have specific structures that are likely the result of complex pathways, mediate the survival of many microorganisms in Mars and Ocean Worlds analog environments, and are detectable with multiple techniques, including Raman spectroscopy. In this project, we aim to investigate the detectability of carotenoid pigments with different spectroscopic methods to inform future instrument selection. We compare the spectra of five unaltered carotenoids, two model compounds, and carotenoid-forming archaeon with visible and deep UV Raman spectroscopy and UVVis absorption spectrophotometry. We then use one model pigment, beta-carotene, to evaluate the likelihood that unique spectral properties of carotenoids, or their refractory byproducts, would be preserved and detectable on a remote planetary surface by exposing it to simulated conditions for Mars. Sample Acquisition. Pigments betacarotene, lutein, zeaxanthin, astaxanthin, and lycopene were purchased from Sigma Aldrich. Halobacterium salinarum NRC-1 was acquired from Carlina Biological and grown in Halobacterium media. Mineral salts including sodium sulfate, sodium carbonate, and halite were used to form matrices in which the beta-carotene was embedded before exposure. Pigment-mineral mixes were at a 1:10 ratio in water. Analytical Techniques. Deep UV Raman data were collected on a custom laboratory mapping spectrometer called MOBIUS (Mineral and Organic Based Investigations using Ultraviolet Spectroscopy), which is an analog to the SHERLOC instrument on the Mars 2020 Perseverance rover (Bhartia et al. 2021). It features a 248.56 nm NeCu pulsed laser, liquid nitrogen-cooled detector, and tunable optical setup. Visible Raman data were collected using a Horiba Jobin Yvon LabRam HR spectrometer with a frequencydoubled Nd:YAG laser (532 nm) and a HeNe laser (633 nm). A VWR 6300 PC UV/Visible Spectrophotometer was used to collect absorption data for carotenoid solutions, model compounds, and solvents in UVpermissible capped cuvettes. Data were collected from 190-1100 nm at 1 nm increments. All spectral data were analyzed using Igor Pro 9 (Wavemetrics). Irradiation. We used a vacuum chamber equipped with a cryostat and a flood electron gun to simulate Martian surface temperatures, low pressures, and ionizing radiation (10keV, 10μA for 6h at 200K for our initial tests). The samples were prepared by drying the pigment-mineral mix onto polished metal tabs, then mounted on the cryostat for processing. Samples were then analyzed directly on the tabs after exposure. Results: In comparing the visible and deep UV Raman spectra of unaltered pigments, we found that they differed drastically. Carotenoids are often studied with visible Raman and typically have peaks at 1525 cm-1 and 1157 cm-1, due to the stretching of the C=C and C-C bonds in the polyene structure. However, in deep UV, the strongest feature is at ~1630 cm-1 and is broad, possibly indicating that multiple peaks are forming this feature. This stark difference is likely due to different preresonant enhancement effects. The UV-Vis results show that there is an absorption band in the deep UV <300 nm, which supports the hypothesis that the 248.6 nm excitation is interrogating another aspect of carotenoids than visible Raman. Our preliminary exposure tests indicated that pigments – even without minerals present - were largely unaltered in the applied conditions, with only a slight broadening in the primary polyene peaks apparent in the visible Raman data. Figure 1. A) Visible vs. deep UV Raman spectra of unaltered beta carotene. B) Schematic of exposure. Conclusions: Our results to date indicate that deep UV and visible Raman spectroscopy, both techniques with planetary mission heritage from Mars 2020 (Wiens et al. 2021, Bhartia et al. 2021), may be used in a complementary manner to observe carotenoids. In addition, we find that beta-carotene is largely resistant to our current exposure conditions, though there may be some amount of amorphization of the material which could cause the broadening of the peaks at 1525 and 1157 cm-1. As a next step, we aim to increase the dosage and duration of exposure to observe degradation of the parent pigment, possibly add UV as a factor via an Ar mini-arc UV lamp and use GC-MS to characterize possible degradation products.

pigments↗

Accelerating Surface Radiation Content to Investigate the Impact of Radon Progeny on Superconducting Qubits

Ionizing radiation in the form of $α$, $β$, $γ$, and additional high-energy particles can induce decoherence via phonon and quasiparticle poisoning in superconducting qubits. Recent studies have explored this effect using cosmic rays or controlled radioactive sources held in the proximity of a qubit package, and have concluded that reductions in such ``external'' environmental radiation may benefit stable operation of qubit devices. However, the effect of long-lived, unstable daughters of $^{222}$Rn that ``plate out'' directly on device and packaging surfaces has not been as extensively explored. This plate-out process, well-known to the dark matter direct detection field, occurs throughout the fabrication and testing lifecycle of a device and (separately) its packaging, and produces a local source of $α$-decays which can remain active for decades. As this scales with chip area, understanding and managing this source of ionizing radiation is relevant for successfully scaling quantum computing architectures to larger numbers of qubits in a radiation-robust way. We present a setup capable of accelerating and enhancing radon daughter plateout by a factor of $7\times10^4$ over ambient, in order to study, \textit{in situ}, the impact of these events on superconducting qubits. We also provide outlook on the potential impact of this source of ionizing radiation on current and future qubit arrays.

Poudel, Sagar S. [South Dakota Sch. Mines Tech.]↗

Modeling and numerical simulation of microwave pulse propagation in air breakdown environment

It is shown that ionization occurs wherever the field intensity of the pulse exceeds the local breakdown threshold field of the background air. The produced plasma then attenuates the pulse and gives rise to a tail erosion phenomenon that plays the primary role in limiting the energy transfer of the pulse from source to destination. A theoretical model describing the propagation of an intense microwave pulse in an air breakdown environment is developed that includes the possible focusing effect introduced by either using phase array antennas or the other arrangements. The self-consistent description of the propagation process is provided by a set of two modal equations. These include a continuity equation (Poynting's equation) for the energy density of the pulse and a rate equation of the electron density. A forward wave approximation is used to simplify Poynting's equation, and a semiempirical formula is used for the ionization frequency, nu(sub i). This frequency provides the coupling between the two modal equations, and is used to express the electron rate equation explicitly. In terms of the relevant parameters of the atmosphere, these two equations are normalized for numerical analysis of pulse propagation in the atmosphere. The dependencies of the propagation characteristics of the pulse on intensity, frequency, width, and shape of the pulse are determined. The numerical simulations lead to a useful empirical relation p(exp 3)w = alpha = constant, where p and w are the incident power and width of the pulse and alpha depends on the percentage of pulse energy transferred from the source point to a destined position. The density distribution of the pulse's self-generated plasma is also evaluated. The results also show that for ionization caused by a single unfocused microwave pulse transmitted upwards from the ground, the maximum electron density produced at, for example, 50 km altitude is limited by the tail erosion effect to below 10(exp 6) cm(exp -3). Repetitive pulse and focused beam approaches are also examined. Both approaches can increase the maximum electron density by no more than an order of magnitude. A scheme using two obliquely propagating pulses intersecting at the destined height, e.g. 50 km, is considered. It is shown that the electron density generated at the lowest intersecting position can easily reach a value of 6.6 x 10(exp 8) cm(exp -3), which is considered to be high enough for artificial ionospheric mirror (AIM) application.

Kim, J.↗

Interstellar propagation and electron capture processes of galactic cosmic ray heavy ions in space

The new information on galactic cosmic rays (GCR) derived from the Spacelab-3 cosmic ray experiment 'Anuradha' shows that at 25-125 MeV/N GCR sub-iron and iron (Z = 21-28) particles consists of a mixture of partially ionized and fully ionized ions. Computation of electron capture and loss cross sections in hydrogen in 1-50 MeV/N energy range are made for Fe, Cr, Ti and Ni. From these it is concluded that: (1) these GCR particles must have captured orbital electrons at energies of about 1-5 MeV/N and (2) these particles are then reaccelerated to 300-500 MeV/N most probably in interstellar medium by collision with SNR shock fronts. Some reacceleration may take place also in heliospheric boundary region. It is suggested that these observations of partially ionized GCR ions of about 100 MeV/N in Spacelab-3 provide a direct evidence of reacceleration of GCR.

Miltra, B.↗

A Gauss-Radau-Laguerre Discrete Variable Representation for Use in Continuum Electron Dynamics

In this work, we detail an implementation, suitable for calculations on highly correlated ionizing systems, of a modified finite element discrete variable representation (FE-DVR) appended with a Gauss-Radau-Laguerre element. The appended element includes exterior complex scaling (ECS) to impose outgoing wave boundary conditions on treatments of processes involving continuum electrons. In this “infinite range” ECS (irECS), the complications that introduce reflections from the end of the grid when the last ECS finite element has finite range are avoided by the use of the Laguerre-weighted exponentially decaying tails, while outgoing wave boundary conditions are still imposed via the ECS transformation. For highly correlated systems in the absence of strong external fields we find that accurate two-electron integrals are essential in this modified FE-DVR. To accurately compute the two-electron integrals over the entire ECS contour, we present a detailed examination of the implications from the boundary terms that arise in a solution of Poisson’s equation with the Radau-Laguerre basis. A boundary term correction is necessary, and when included, the Radau-Laguerre DVR can accurately describe highly correlated states such as the doubly excited states of helium over the entire ECS contour.

elements↗

Atomic autoionization in the photo-dissociation of super-excited deuterated water molecules fragmenting into D + + O + + D

We present the relaxation dynamics of deuterated water molecules via autoionization, initiated by the absorption of a 61 eV photon, producing the very rare D + + O + + D breakup channel. We employ the COLd target recoil ion momentum spectroscopy method to measure the 3D momenta of the ionic fragments and emitted electrons from the dissociating molecule in coincidence. We interpret the results using the potential energy surfaces extracted from multi-reference configuration interaction calculations. The measured particle energy distributions can be related to a super-excited monocationic state located above the double ionization threshold of D 2 O. The autoionized electron energy shows a sharp distribution centered around 0.5 eV, which is a signature of the atomic oxygen autoionization occurring in the direct and sequential dissociation processes of D 2 O + * at a large internuclear distance. In this way, an O + radical fragment and a low-energy electron are created, both of which can trigger secondary reactions in their environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Particle-in-cell Monte Carlo-collision modeling of non-ideal effects in wave-heated dense microplasmas

A computational model for non-ideal plasma effects during the time evolution of a second-stage laser-heated discharge at high pressures is presented. The model extends a classical one-dimensional particle-in-cell Monte Carlo-collision (PIC-MCC) approach coupled with Maxwell's equations for the laser-heating process of a xenon plasma at 300 K temperature and 10–100 bar pressure. Plasma non-ideality resulting from Coulomb coupling at high plasma densities is manifested as a depression in the effective ionization potential of atoms and enhanced collision cross sections. These non-ideal effects are represented using the Ecker–Kröll model in the context of the PIC-MCC approach. We find that full ionization of the plasma is obtained on the picosecond timescale, starting from the skin layer and quickly expanding throughout the domain through an anomalous extension of the skin depth. More critically, we show that the inclusion of the non-ideal plasma effects results in more rapid ionization compared to an ideal plasma, especially at higher pressures. The ionization delay reduction is of the order of a fraction of a picosecond, corresponding to a 16% decrease at 100 bar. As the amplitude of the wave field is lowered, the ionization rate is lowered, making the plasma non-ideality effects more prominent.

Solmaz, Evrim (ORCID:0000000211830881)↗

A case study of using x-ray Thomson scattering to diagnose the in-flight plasma conditions of DT cryogenic implosions

The design of inertial confinement fusion ignition targets requires radiation-hydrodynamics simulations with accurate models of the fundamental material properties (i.e., equation of state, opacity, and conductivity). Validation of these models is required via experimentation. A feasibility study of using spatially integrated, spectrally resolved, x-ray Thomson scattering measurements to diagnose the temperature, density, and ionization of the compressed DT shell of a cryogenic DT implosion at two-thirds convergence was conducted. Synthetic scattering spectra were generated using 1D implosion simulations from the LILAC code that were post processed with the x-ray scattering model, which is incorporated within SPECT3D. Analysis of two extreme adiabat capsule conditions showed that the plasma conditions for both compressed DT shells could be resolved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Designing a quantum-accurate machine-learning potential to enable large-scale simulations of deuterium under shock

Large-scale molecular dynamics of deuterium under shock can elucidate kinetic processes vital to the target design in inertial confinement fusion and high-energy-density experiments. However, modeling the complex evolution of this material from an insulating molecular state at ambient pressure to an ionized, atomic fluid under strong shock is beyond the capability of simple pair and even bond order potentials. We thus train a quantum-accurate and broadly transferable machine-learning interatomic potential for deuterium using the Chebyshev Interaction Model for Efficient Simulations framework. We show that due to an improved description of the molecular-to-atomic transition, our model is able to better reproduce the ab initio equation of state, radial distribution functions, and principal Hugoniot than bond order potentials. This represents an important step toward large-scale quantum-accurate and nonequilibrium simulations of complicated systems under dynamic changes including phase transitions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Deciphering decomposition pathways of high explosives with cryogenic X-ray Raman spectroscopy

We employed cryogenic X-ray Raman spectroscopy to investigate the early-stage decomposition of the high explosive molecule hexanitrohexaazaisowurtzitane (CL-20). By systematically varying the radiation dose under cryogenic conditions, we induced the decomposition of the molecule using ionizing radiation and observed the evolution of spectral features at the carbon, nitrogen, and oxygen K edges. Through extensive first-principles calculations, we identified key intermediates in the early stages of the decomposition process, resulting from C–C and C–N bond cleavage which leads to the opening of the internal cage structure. A detailed analysis of spectral trends and fingerprints provided evidence supporting N–NO 2 homolytic cleavage as the primary initial decomposition pathway. The combination of advanced core-level spectroscopy methods and state-of-the-art theoretical calculations enabled a comprehensive characterization of the molecular changes induced by controlled radiation dose exposures. In conclusion, our findings establish a benchmark for understanding the decomposition chemistry of high-explosive materials, offering important insights into their stability and reactivity under extreme conditions.

X-ray Raman spectroscopy↗

SDSS IV MaNGA: characteristics of edge-on galaxies with a counter-rotating gaseous disc

ABSTRACT Counter-rotating components in galaxies are one of the most direct forms of evidence for past gas accretion or merging. We discovered 10 edge-on disc gaseous counter-rotators in a sample of 523 edge-on galaxies identified in the final MaNGA (Mapping Nearby Galaxies at APO) IFU sample. The counter-rotators tend to located in small groups. The gaseous counter-rotators have intermediate stellar masses and and located in the green valley and red sequence of the colour–magnitude diagram. The average vertical extents of the stellar and ionized gas discs are the same as for the rest of the sample while their radial gas and stellar distributions are more centrally concentrated. This may point at angular momentum loss during the formation process of the counter-rotating discs. The counter-rotators have low gas and dust content, weak emission-line strengths, and low star formation rates. This suggests that the formation of counter-rotators may be an efficient way to quench galaxies. One counter-rotator, SDSS J080016.09+292817.1 (Galaxy F), has a post-starburst region and a possible AGN at the centre. Another counter-rotator, SDSS J131234.03+482159.8 (Galaxy H), is identified as a potential ongoing galaxy interaction with its companion satellite galaxy, a gas-rich spiral galaxy. This may be representative case of a gaseous counter-rotator forming through a merger origin. However, tidal distortions expected in mergers are only found in a few of the galaxies and we cannot rule out direct gas accretion as another formation mechanism.

Beom, Minje↗

Migration of Ga vacancies and interstitials in β – Ga 2 O 3

Pathways and energy barriers for the migration of Ga vacancies (V Ga ) and Ga interstitials (Ga i ) in β–Ga 2 O 3 are explored using hybrid functional calculations and the nudged elastic band method. Considering β–Ga 2 O 3 as primarily being an n-type semiconductor, we focus on defect charge states relevant under such conditions: $V^{3 –}_{Ga}$, Ga$^{3+}_{i}$, and Ga$^{+}_{i}$. Notably, we describe a mechanism by which V Ga can transform between its different split configurations. In all cases, the intermediate state consists of a vacancy split between three Ga sites—a three-split vacancy—which enables passage over a significantly lower energy barrier. This is because it avoids the unfavorable simple vacancy at the tetrahedral Ga site. The proposed mechanism lowers the overall barrier for $V^{3–}_{Ga}$ diffusion along the [001] crystal direction from 1.73 to 0.97 eV, whereas the 2.08 eV barrier for the [100] and [010] directions is unaffected. For Ga$^{3+}_{i}$, we obtain similar overall migration barriers of 0.72, 0.80, and 1.02 eV for the [010], [001], and [100] directions, respectively. Ga$^{+}_{i}$ exhibits a strong preference for diffusion within the large eight-sided channel; the overall migration barrier is 0.92 eV for the [010] direction, and 2.16 eV for the [001] and [100] directions. The limiting step for the two latter directions involves ionization of Ga$^{+}_{i}$ followed by a jump to an adjacent large eight-sided channel as Ga$^{3+}_{i}$. Finally, our results are discussed in light of experimental observations of thermally activated recovery processes in irradiated material.

36 MATERIALS SCIENCE↗

Feasibility study to use neutron capture for an ultralow energy nuclear-recoil calibration in liquid xenon

The feasibility of an ultra-low energy nuclear-recoil measurement in liquid xenon using neutron capture is investigated for a small (sub-kilogram) liquid xenon detector that is optimized for a high scintillation gain, and a pulsed neutron source. Further, the measurement uses the recoil energies imparted to xenon nuclei during the de-excitation process following neutron capture, where promptly emitted γ cascades can provide the nuclei with up to 0.3 keV nr of recoil energy due to conservation of momentum. A successful calibration of scintillation photon and ionization electron yields below this energy will contribute to a greater sensitivity for liquid xenon experiments in searches for light WIMPs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Learned adaptive properties for mitigation of weight perturbations in embedded spiking networks

Recent years have seen an increased importance of neural network inference in edge-based scenarios, which impose size and power constraints requiring novel computing devices. These same edge scenarios may require operating over long periods of time, or exposure to extreme environments, resulting in a drift of neural network weights that cause degraded performance. In searching for ways to develop neural network approaches that perform robustly under these conditions, we propose a biologically-inspired mechanism for the dynamic adaptation of within-neuron parameters that is guided by a global context signal carrying information about perturbations and variability in incoming stimuli. Specifically, we demonstrate that adaptive voltage thresholds or neuronal time constants, when informed by a global context signal, can enable network-level mechanisms to recover from perturbed synaptic weights. Consistent with prior literature, the context-modulated approach is effective for recurrent, but not feedforward networks, by modulating network level dynamics. We demonstrate this approach successfully recovers performance in image classification tasks and spatiotemporal tracking tasks under idealized and Gaussian noise as well as for realistic perturbations from a memristive device when exposed to ionizing radiation. Finally, we discuss how this approach enables the design of robust and energy-efficient neuromorphic systems that perform well, even in resource-constrained scenarios with extreme environments such as edge processing.

context modulation↗

Assessment of Hydroxyl Radical Reactivity in Sulfur-Containing Amino Acid Models Under Acidic pH

Methionine residues in proteins and peptides are frequently oxidized by losing one electron. The presence of nearby amide groups is crucial for this process, enabling methionine to participate in long-range electron transfer. Hydroxyl radical (HO•) plays an important role being generated in aerobic organisms by cellular metabolisms as well as by exogenous sources such as ionizing radiations. The reaction of HO• with methionine mainly affords the one-electron oxidation of the thioether moiety through two consecutive steps (HO• addition to the sulfur followed by HO− elimination). We recently investigated the reaction of HO• with model peptides mimicking methionine and its cysteine-methylated counterpart, i.e., CH3C(O)NHCHXC(O)NHCH3, where X = CH2CH2SCH3 or CH2SCH3 at pH 7. The reaction mechanism varied depending on the distance between the sulfur atom and the peptide backbone, but, for a better understanding of various suggested equilibria, the analysis of the flux of protons is required. We extended the previous study to the present work at pH 4 using pulse radiolysis techniques with conductivity and optical detection of transient species, as well as analysis of final products by LC-MS and high-resolution MS/MS following γ-radiolysis. Comparing all the data provided a better understanding of how the presence of nearby amide groups influences the one-electron oxidation mechanism.

Biochemistry & Molecular Biology↗

On the approach to forecasting polar ionospheric conditions

The major properties of polar ionospheric main anomalous events are summarized. The monitoring of large scale features of the ionization distribution that are the projections of large scale structural characteristics of magnetospheric plasma on the upper ionosphere is suggested as a basic principle of polar ionospheric condition forecasting. It is concluded that the processes of the magnetosphere/ionosphere interaction appear to play a predominant role in the creation of the polar ionosphere.

Besprozvannaya, A. S.↗