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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Impact of Proton Activity on Fuel-Cell Performance (CRADA Final Report)

The key attribute that is being investigated is the dependence of the oxygen-reduction and hydrogen-oxidation reaction kinetics on proton activity. The influence of proton activity on the kinetics is also important in the determination of limiting factors that impact overall fuel-cell performance. At lower humidities, which are required to simplify fuel-cell water and thermal management (especially for higher-temperature operation) and enable next generation fuel cells, the ionomer water content will be different than that in today’s fuel cells. Such changes in water content directly impact the activity and concentration of protons. Thus, it is necessary to quantify this impact of proton activity on the reaction kinetics, and to determine means to mitigate any detrimental impacts to enable high performance. To realize the above goals of understanding the intrinsic interactions of proton activity on hydrogen-oxidation and oxygen-reduction kinetics, systematic investigations were carried out and a novel technique, a rapid microelectrode with environmental control, was realized. The experimental campaign at LBNL worked alongside that of TokyoTech and both were complemented by mathematical modeling of the key phenomena. The results demonstrated a robust method to analyze the kinetic behavior and an impact of proton activity, although greater delineation in terms of ion concentration versus activity was not obtained fully due in part to limited lab access during the COVID pandemic.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Impact of x-ray dose on track formation and data analysis for CR-39-based proton diagnostics

The nuclear track detector CR-39 is used extensively for charged particle diagnosis, in particular proton spectroscopy, at inertial confinement fusion facilities. These detectors can absorb x-ray doses from the experiments in the order of 1–100 Gy, the effects of which are not accounted for in the previous detector calibrations. X-ray dose absorbed in the CR-39 has previously been shown to affect the track size of alpha particles in the detector, primarily due to a measured reduction in the material bulk etch rate [Rojas-Herrera et al., Rev. Sci. Instrum. 86, 033501 (2015)]. Similar to the previous findings for alpha particles, protons with energies in the range 0.5–9.1 MeV are shown to produce tracks that are systematically smaller as a function of the absorbed x-ray dose in the CR-39. The reduction of track size due to x-ray dose is found to diminish with time between exposure and etching if the CR-39 is stored at ambient temperature, and complete recovery is observed after two weeks. Lastly, the impact of this effect on the analysis of data from existing CR-39-based proton diagnostics on OMEGA and the National Ignition Facility is evaluated and best practices are proposed for cases in which the effect of x rays is significant.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Technical Note: Spatial resolution of proton tomography: Impact of air gap between patient and detector

Purpose: Proton radiography and tomography were investigated since the early 1970s because of its low radiation dose, high density resolution, and ability to image directly proton stopping power. However, spatial resolution is still a limiting factor. In this note, preliminary results of the impact of an air gap between detector system and patient on spatial resolution are presented. Methods: Spatial resolution of proton radiography and tomography is governed by multiple Coulomb scattering (MCS) of the protons in the patient. In this note, the authors employ Monte Carlo simulations of protons traversing a 20 cm thick water box. Entrance and exit proton coordinate measurements were simulated for improved spatial resolution. The simulations were performed with and without a 5 cm air gap in front of and behind the patient. Loss of spatial resolution due to the air gap was studied for protons with different initial angular confusion. Results: It was found that spatial resolution is significantly deteriorated when a 5 cm air gap between the position sensitive detector and the patient is included. For a perfect parallel beam spatial resolution worsens by about 40%. Spatial resolution is getting worse with increasing angular confusion and can reach 80%. Conclusions: When proton radiographies are produced by measuring the entrance and exit coordinates of the protons in front of and behind the patient the air gap between the detector and the patient can significantly deteriorate the spatial resolution of the system by up to 80%. An alternative would be to measure in addition to the coordinates also the exit and entrance angles of each proton. In principle, using the air gap size and proton angle, images can be reconstructed with the same spatial resolution than without air gap.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Impact of proton irradiation on deep level states in n-GaN

Deep levels in 1.8 MeV proton irradiated n-type GaN were systematically characterized using deep level transient spectroscopies and deep level optical spectroscopies. The impacts of proton irradiation on the introduction and evolution of those deep states were revealed as a function of proton fluences up to 1.1 × 10{sup 13} cm{sup −2}. The proton irradiation introduced two traps with activation energies of E{sub C} - 0.13 eV and 0.16 eV, and a monotonic increase in the concentration for most of the pre-existing traps, though the increase rates were different for each trap, suggesting different physical sources and/or configurations for these states. Through lighted capacitance voltage measurements, the deep levels at E{sub C} - 1.25 eV, 2.50 eV, and 3.25 eV were identified as being the source of systematic carrier removal in proton-damaged n-GaN as a function of proton fluence.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Predicted impacts of proton temperature anisotropy on solar wind turbulence

Particle velocity distributions measured in the weakly collisional solar wind are frequently found to be non-Maxwellian, but how these non-Maxwellian distributions impact the physics of plasma turbulence in the solar wind remains unanswered. Using numerical solutions of the linear dispersion relation for a collisionless plasma with a bi-Maxwellian proton velocity distribution, we present a unified framework for the four proton temperature anisotropy instabilities, identifying the associated stable eigenmodes, highlighting the unstable region of wavevector space and presenting the properties of the growing eigenfunctions. Based on physical intuition gained from this framework, we address how the proton temperature anisotropy impacts the nonlinear dynamics of the Alfvénic fluctuations underlying the dominant cascade of energy from large to small scales and how the fluctuations driven by proton temperature anisotropy instabilities interact nonlinearly with each other and with the fluctuations of the large-scale cascade. We find that the nonlinear dynamics of the large-scale cascade is insensitive to the proton temperature anisotropy and that the instability-driven fluctuations are unlikely to cause significant nonlinear evolution of either the instability-driven fluctuations or the turbulent fluctuations of the large-scale cascade.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2005

Satellite Measurements of Middle Atmospheric Impacts by Solar Proton Events in Solar Cycle 23

Solar proton events (SPEs) are known to have caused changes in constituents in the Earth's neutral polar middle atmosphere in the most recent solar maximum period (solar cycle 23). The highly energetic protons produced ionizations, excitations, dissociations, and dissociative ionizations of the background constituents in the polar cap regions (greater than 60 degrees geomagnetic latitude), which led to the production of HOx (H, OH, HO2) and NOy (N, NO, NO2, NO3, N2O5, HNO3, HO2NO2, ClONO2, BrONO2). The HOx increases led to short-lived ozone decreases in the polar mesosphere and upper stratosphere due to the short lifetimes of the HOx constituents. Polar middle mesospheric ozone decreases greater than 50% were observed and computed to last for hours to days due to the enhanced HOx. The NOy increases led to long-lived polar stratospheric ozone changes because of the long lifetime of the NOy family in this region. Upper stratospheric ozone decreases of greater than 10% were computed to last for several months past the solar events in the winter polar regions because of the enhanced NOy. Solar cycle 23 was especially replete with SPEs and huge fluxes of high energy protons occurred in July and November 2000, September and November 2001, April 2002, October 2003, and January 2005. Smaller, but still substantial, proton fluxes impacted the Earth during other months in this cycle. Observations by the Upper Atmosphere Research Satellite (UARS) Halogen Occultation Experiment (HALOE) and Solar Backscatter Ultraviolet 2 (SBUV/2) instruments along with GSFC 2D Model predictions will be shown in this talk.

Jackman, C.↗
DOE OSTI2026

Direct Ab Initio Simulation of the Synthesis of BaZrO 3 and the Microstructure Impacts on Proton Transport

Controlling and predicting the processing-structure-performance relationship in functional materials is a grand challenge in materials science, with important implications for a wide range of emerging applications; a high fidelity understanding of the performance impact of microstructures formed under synthesis conditions is required to develop advanced materials, such as solid-state fuel cells and electrolyzers. Using the ceramic BaZrO 3 as a case study, we directly simulate the synthesis and investigate how proton transport is dictated by microstructures. We develop a framework that couples density functional theory (DFT), machine-learning interatomic potential (MLIP) driven molecular dynamics, and grand canonical Monte Carlo to perform large-scale, microstructure-resolved, atomistic simulations of proton transport in experimentally representative polycrystalline structures. Our fully ab initio approach, using a MLIP as a proxy for DFT, allows us to quantify the competition between two distinct diffusion mechanisms: one associated with grain-boundary regions and another within grains. When the impacts of grain boundaries are taken into account, proton transport exhibits substantial deviation from the bulk oxide limit. This addresses long-standing discrepancies between theory and experiments. Our integrated approach provides atomistic insight into microstructure-dependent proton pathways in BaZrO 3 and establishes a general protocol for predicting processing-structure-performance relationships.

organic↗
DOE OSTI2018

Impact of proton irradiation on conductivity and deep level defects in β-Ga 2 O 3

Single crystalline bulk and epitaxially grown gallium oxide (β–Ga 2 O 3 ) was irradiated by 0.6 and 1.9 MeV protons to doses ranging from 5 × 10 9 to 6 × 10 14 cm -2 in order to study the impact on charge carrier concentration and electrically active defects. Samples irradiated to doses at or above 2 × 10 13 cm -2 showed a complete removal of free charge carriers in their as-irradiated state, whereas little or no influence was observed below doses of 6 × 10 12 cm -2 . From measurements at elevated temperatures, a thermally activated recovery process is seen for the charge carriers, where the activation energy for recovery follow a second-order kinetics with an activation energy of ~1.2 eV. Combining the experimental results with hybrid functional calculations, we propose that the charge carrier removal can be explained by Fermi-level pinning far from the conduction band minimum (CBM) due to gallium interstitials (Ga i ), vacancies (V Ga ), and antisites (Ga O ), while migration and subsequent passivation of V Ga via hydrogen-derived or V O defects may be responsible for the recovery. Following the recovery, deep level transient spectroscopy (DLTS) reveals generation of two deep levels, with energy positions around 0.75 and 1.4 eV below the CBM. Of these two levels, the latter is observed to disappear after the initial DLTS measurements, while the concentration of the former increases. Here, we discuss candidate possibilities and suggest that the origins of these levels are more likely due to a defect complex than an isolated point defect.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Impact of proton irradiation on 4H-SiC Low Gain Avalanche Detectors (LGADs)

Silicon carbide (SiC) particle detectors have the potential to provide time resolutions and robust performance in extreme environments which exceed that of silicon detectors. In this work 4H-SiC low gain avalanche detectors (LGADs) and complementary PiN diodes were irradiated with 2.5 GeV protons at fluences up to 3.33 × 10 14 p/cm 2 . The electrostatic performance of both irradiated and non-irradiated devices was evaluated using I-V and C-V measurements. Moreover, charge collection measurements using α particles were also conducted. SiC LGADs displayed a loss in rectification, high ON-state resistances >10 10 Ω-cm 2 , and the complete removal of gain when exposed to the highest proton fluence. Additionally, the reductions in capacitance and OFF-state current pointed to compensation of the gain layer as a gain reducing mechanism. The introduction of radiation-induced defects also hinders carrier acceleration, which reduces impact ionization and further gain reduction. LGADs exposed to a fluence of 1 × 10 14 p/cm 2 experienced a partial recovery in gain (originally having a value of ∼ 2) with a value of ∼ 1.65 when applying a bias of 500 V. Charge trapping was also seen in the reduction of charge collection efficiency (CCE) to ∼ 65% for the PiN diode. However, despite the reduction in device performance, the demonstration of a measurable signal after irradiation points to the potential of SiC LGAD detectors for future high energy physics applications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics from Molecular Dynamics Simulations and Milestoning Theory

We report atomically detailed molecular dynamics simulations of the permeation of the lethal factor (LF) N-terminal segment through the anthrax channel. The N-terminal chain is unstructured and leads the permeation process for the LF protein. The simulations were conducted in explicit solvent with milestoning theory, making it possible to extract kinetic information from nanosecond to millisecond time scales. Here, we illustrate that the initial event is strongly influenced by the protonation states of the permeating amino acids. While the N-terminal segment passes easily at high protonation state through the anthrax channel (and the Φ clamp), the initial permeation represents a critical step, which can be irreversible and establishes a hook in the channel mouth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Pressure-induced amorphization of a dense coordination polymer and its impact on proton conductivity

The proton conductivity of a dense coordination polymer (CP) was investigated under high-pressure conditions. Impedance measurements under high pressures revealed that the proton conductivity of the CP decreased more than 1000-fold at pressures of 3–7 GPa and that the activation energy for proton conduction almost doubled compared with that at ambient pressure. A synchrotron X-ray study under high pressure identified the amorphization process of the CP during compression, which rationally explains the decrease in conductivity and increase in activation energy. This phenomenon is categorized as reversible pressure-induced amorphization of a dense CP and is regarded as a demonstration of the coupling of the mechanical and electrical properties of a CP.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Imaging the Impact of Proton Irradiation on Edge Terminations in Vertical GaN pin Diodes

Devices based on GaN have shown great promise for high power electronics, including their potential use as radiation tolerant components. An important step to realizing high power diodes is the design and implementation of an edge termination to mitigate field crowding, which can lead to premature breakdown. However, little is known about the effects of radiation on edge termination functionality. We experimentally examine the effects of proton irradiation on multiple field ring edge terminations in high power vertical GaN pin diodes using in operando imaging with electron beam induced current (EBIC). We find that exposure to proton irradiation influences field spreading in the edge termination as well as carrier transport near the anode. By using depth-dependent EBIC measurements of hole diffusion length in homoepitaxial n-GaN we demonstrate that the carrier transport effect is due to a reduction in hole diffusion length following proton irradiation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Impact of proton irradiation on dc performance of AlGaN/GaN high electron mobility transistors

The effects of proton irradiation dose on dc characteristics and the reliability of AlGaN/GaN high electron mobility transistors (HEMTs) were investigated. The HEMTs were irradiated with protons at a fixed energy of 5 MeV and doses ranging from 109 to 2 1014 cm-2. For the dc characteristics, there was only minimal degradation of saturation drain current (IDSS), transconductance (gm), electron mobility and sheet carrier concentration at doses below 2 1013 cm-2, while the reduction of these parameters were 15%, 9%, 41% and 16.6%, respectively, at a dose of 2 1014 cm-2. At this same dose condition, increases of 37% in drain breakdown voltage (VBR) and of 45% in critical voltage (Vcri) were observed. The improvement of device reliability was attributed to the modification of the depletion region due to the introduction of a higher density of defects after irradiation at a higher dose.

Liu, L.↗
DOE OSTI2014

TH-A-19A-03: Impact of Proton Dose Calculation Method On Delivered Dose to Lung Tumors: Experiments in Thorax Phantom and Planning Study in Patient Cohort

Purpose: Evaluate Monte Carlo (MC) dose calculation and the prediction of the treatment planning system (TPS) in a lung phantom and compare them in a cohort of 20 lung patients treated with protons. Methods: A 2-dimensional array of ionization chambers was used to evaluate the dose across the target in a lung phantom. 20 lung cancer patients on clinical trials were re-simulated using a validated Monte Carlo toolkit (TOPAS) and compared to the TPS. Results: MC increases dose calculation accuracy in lung compared to the clinical TPS significantly and predicts the dose to the target in the phantom within ±2%: the average difference between measured and predicted dose in a plane through the center of the target is 5.6% for the TPS and 1.6% for MC. MC recalculations in patients show a mean dose to the clinical target volume on average 3.4% lower than the TPS, exceeding 5% for small fields. The lower dose correlates significantly with aperture size and the distance of the tumor to the chest wall (Spearman's p=0.0002/0.004). For large tumors MC also predicts consistently higher V{sub 5} and V{sub 10} to the normal lung, due to a wider lateral penumbra, which was also observed experimentally. Critical structures located distal to the target can show large deviations, though this effect is very patient-specific. Conclusion: Advanced dose calculation techniques, such as MC, would improve treatment quality in proton therapy for lung cancer by avoiding systematic overestimation of target dose and underestimation of dose to normal lung. This would increase the accuracy of the relationships between dose and effect, concerning tumor control as well as normal tissue toxicity. As the role of proton therapy in the treatment of lung cancer continues to be evaluated in clinical trials, this is of ever-increasing importance. This work was supported by National Cancer Institute Grant R01CA111590.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1972

Ionization of multielectron atoms by fast charged particles.

Using plane waves to describe the incident and scattered particles, and screened hydrogenic and Coulomb functions to describe the atomic electrons before and after ejections, we have calculated the differential and total ionization cross sections of 11 atoms and one ion by electron impact, and ionization of helium by proton impact. The effective charges of the screened hydrogenic functions are fixed by the Hartree-Fock calculations. Calculations have been carried out for the atomic s, p, and d electrons. For low atomic numbers, we find reasonable agreement with the experimental data. For intermediate atomic numbers, we expect our results to overestimate the actual cross sections, since our choice of a unit charge for the Coulomb function of the ejected electrons will overestimate the atomic dipole potential strength, and in turn the high-energy cross sections. The advantage of the method presented here is that the ionization amplitude is given in analytic form. This may allow further analysis on this amplitude, and facilitates extension of the numerical integration for the cross section to high impact energies.

Omidvar, K.↗
DOE OSTI2021

Proton-Coupled Defects Impact O–H Bond Dissociation Free Energies on Metal Oxide Surfaces

Proton-coupled electron transfer (PCET) reactions on metal oxides require coupling between proton transfer at the solid-liquid interface and electron transfer involving defects at or near the band edge. Herein, hybrid functional periodic density functional theory is used to elucidate the impact of proton-coupled defects on the bond dissociation free energies (BDFEs) of O-H bonds on anatase TiO 2 surfaces. These O-H BDFEs are directly related to interfacial PCET thermochemistry. Comparison between geometrically similar O-H bonds associated with different defect types, namely conduction d-band electrons or valence p-band holes, reveals that the BDFEs differ by ~81 kcal/mol (3.50 eV), comparable to the wide TiO 2 band gap. These differences are shown to be determined primarily by differences in electron transfer driving forces, which are analyzed by using band energies and inner-sphere reorganization energies within a Marcus theory framework. Furthermore, these fundamental insights about the impact of proton-coupled defects on PCET thermochemistry at semiconductor surfaces have broad implications for electrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗