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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Pathways of proton transfer in the light-driven pump bacteriorhodopsin

The mechanism of proton transport in the light-driven pump bacteriorhodopsin is beginning to be understood. Light causes the all-trans to 13-cis isomerization of the retinal chromophore. This sets off a sequential and directed series of transient decreases in the pKa's of a) the retinal Schiff base, b) an extracellular proton release complex which includes asp-85, and c) a cytoplasmic proton uptake complex which includes asp-96. The timing of these pKa changes during the photoreaction cycle causes sequential proton transfers which result in the net movement of a proton across the protein, from the cytoplasmic to the extracellular surface.

NASA Discipline Number 52-30↗
NASA NTRS2005

A study of spacecraft charging due to exposure to interplanetary protons

The interplanetary space environment is composed mostly of plasma from the solar wind and high energy protons from solar events such as coronal mass ejections. Satellites orbiting Earth are shielded to some degree from these events by the Earth's magnetic field but spacecraft traveling between planets are exposed to these solar protons directly. A major concern for spacecraft is internal electrostatic discharge (IESD), a form of spacecraft charging. The majority of research regarding IESD has been concerned with the electrons in the space environment around the Earth and at Jupiter; little research has been done on the charging of spacecraft in interplanetary space due to solar event protons. This paper reviews the work done so far on IESD due to protons and provides a possible example of an anomaly due to a proton induced discharge in interplanetary space on the Galileo spacecraft.

proton↗
NASA NTRS2014

Criticality of Low-Energy Protons in Single-Event Effects Testing of Highly-Scaled Technologies

We report low-energy proton and low-energy alpha particle single-event effects (SEE) data on a 32 nm silicon-on-insulator (SOI) complementary metal oxide semiconductor (CMOS) latches and static random access memory (SRAM) that demonstrates the criticality of using low-energy protons for SEE testing of highly-scaled technologies. Low-energy protons produced a significantly higher fraction of multi-bit upsets relative to single-bit upsets when compared to similar alpha particle data. This difference highlights the importance of performing hardness assurance testing with protons that include energy distribution components below 2 megaelectron-volt. The importance of low-energy protons to system-level single-event performance is based on the technology under investigation as well as the target radiation environment.

random access memory↗
NASA NTRS2021

Hydroxylation of Apollo 17 Soil Sample 78421 by Solar Wind Protons

Hydroxylation by solar wind protons has been simulated in our laboratory on Apollo 17 lunar sample 78421, a very mature regolith sample that is rich with agglutinates (68%). The goal of this study was to determine the rate of hydroxyl formation and their thermal stability by monitoring changes in the SiOH (hydroxyl) stretching band near 3 μm using diffuse reflectance FTIR spectroscopy (DRIFTS). A 2 keV H2+ ion beam was used to simulate proton implantation on 78421 and on a crushed fused silica sample. We find that the OH band does not change unless the samples have been annealed in vacuum prior to irradiation. Qualitatively, the OH bands for the fused silica and 78421 are very different. The OH band for fused silica is centered at 2.74 μm and is relatively sharp ranging from 2.67 - 3.1 μm at full-width-at-half-maximum (FWHM), while the OH band for 78421 is centered at 3.0 μm and ranges from 2.74 - 3.37 μm at FWHM. The increase in wavelength and broadened nature of the OH band in 78421 may be associated with the OH’s proximity to surface defects and/or lattice vacancies. The lack of the H2O bending mode at 6.1 μm indicates that any adsorbed terrestrial H2O is below our detection limit, and therefore the H2O stretching mode at 2.9 μm is not significantly contributing to the broad 3 μm OH band and implies that proton implantation by itself does not lead to water formation. To simulate the maximum dayside temperature on the lunar surface, the lunar sample was heated after proton irradiation. The proton induced OH concentration was reduced by as much as 25% after heating to 400 K (127 °C).

Apollo 17↗
DOE OSTI2026

Isospin symmetry holds beyond the proton drip line: First observation of excited states in 55Cu

Isospin symmetry, combined with shell-model description, has long been successful in reproducing nuclear structure and predicting mirror energy differences. However, these descriptions have been primarily limited to mirror nuclei with well-bound ground states. As one approaches the proton drip line, coupling to the continuum becomes important. Despite this, little is known about medium-mass nuclei at the drip line. Here we report the measurement of the excitation energies of several unbound states in a nucleus beyond the proton drip line, 55Cu, performed via γ-ray spectroscopy at the Radioactive Isotope Beam Factory (RIKEN). Several low-lying yrast states are observed to decay predominantly by γ-ray emission. In contrast, the state–predicted to be strongly populated in the one-proton knockout reaction–is notably absent, suggesting that it decays primarily via prompt proton emission. We show that even for such an unbound system, shell-model calculations based on a harmonic oscillator potential reproduce the observed mirror energy differences remarkably well in all the observed states. Based on this result, we propose that a general pattern might emerge where, in medium-mass systems at the proton drip line, the stronger Coulomb barrier together with the centrifugal barrier effectively confines the wave functions, so that the shell model is able to describe low-lying states, enabling accurate predictions of mirror energy differences between isobaric analogue states.

Pigliapoco, S [Dipartimento di Fisica e Astronomia↗
DOE OSTI2024

Intermolecular Proton Transfer Enabled Reactive CO 2 Capture by the Malononitrile Anion

Task-specific ionic liquids (ILs) employing carbanions represent a new class of ILs for carbon capture. The deprotonated malononitrile carbanion, [CH(CN) 2 ] - , has shown close to equimolar capacity for reactive CO 2 capture. Although the formation of the [C(CN) 2 COOH] - carboxylic acid was found to be the final product, how the hydrogen atom on the [CH(CN) 2 ] - carbanion transfers to the carboxylate group as a proton has not been fully understood. In this work, we employ density functional theory calculations with an implicit solvation model to investigate the proton transfer mechanisms in forming carboxylic acid from the reaction of the [CH(CN) 2 ] - carbanion with CO 2 . We find that the intramolecular proton-transfer pathway in [CH(CN) 2 COO] - to form [C(CN) 2 COOH] - is unlikely due to the high energy barrier of 152 kJ/mol. Instead, the intermolecular proton transfer pathway between two [CH(CN) 2 COO] - anions is more feasible to form two molecules of [C(CN) 2 COOH] - , with a significantly lower activation energy of 50 kJ/mol. Moreover, the [C(CN) 2 COOH] - dimer is further stabilized by the intermolecular hydrogen bonds of the two –COOH groups in the Z-configuration of the π-conjugated planar geometry. This insight of reactive CO 2 capture enabled by intermolecular proton transfer will be useful in designing novel carbanions and ILs for carbon capture and conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering

Proton-transfer processes build the foundation of many chemical processes. In Excited State Intramolecular Proton Transfer (ESIPT) processes the proton transfer process is impulsively started through light. Here, in this study, we explore the changes in coupled atomic and electronic motions during and following ESIPT through computational time-resolved Resonant Inelastic X-ray Scattering (trRIXS). Excited-state Ab Initio Molecular Dynamics (AIMD) simulations combined with Time-Dependent Density Functional Theory (TDDFT) calculations were performed for 10-hydroxybenzo[h]quinoline to obtain trRIXS signatures. RIXS at both the nitrogen and oxygen K-edges were computed to resolve the dynamics electronic structure from both the proton donor and acceptor perspective. The results show how RIXS can reveal the local electronic structure, the coupling between different electronic states and how electronic structure and coupling change during the proton transfer process. Additionally, we observe a strong correlation between spectral changes and structural changes during ESIPT.

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

Stable laser-acceleration of high-flux proton beams with plasma collimation

Laser-plasma acceleration of protons offers a compact, ultra-fast alternative to conventional ac- celeration techniques, and is being widely pursued for potential applications in medicine, industry and fundamental science. Creating a stable, collimated beam of protons at high repetition rates presents a key challenge. Here, we demonstrate the generation of multi-MeV proton beams from a fast-replenishing ambient-temperature liquid sheet. The beam has an unprecedentedly low diver- gence of 1◦ (≤ 20 mrad), resulting from magnetic self-guiding of the proton beam during propagation through a low density vapour. The proton beams, generated at a repetition rate of 5 Hz using only 190 mJ of laser energy, exhibit a hundred-fold increase in flux compared to beams from a solid target. Coupled with the high shot-to-shot stability of this source, this represents a crucial step towards applications.

Glenn, G. D. [SLAC National Accelerator Laboratory↗
DOE OSTI2026

Revealing ultrafast proton-transfer-mediated autoionization as a source of low-energy electrons in hydrogen-bonded systems

Ionizing radiation can trigger ultrafast proton transfer, a central mechanism in many chemical and biological functions, that in turn can enable or suppress electron relaxation processes and consequently cause abrupt changes in the reaction pathway. This study combines theory and experiment to probe ultrafast relaxation and dissociation in water dimers following inner- and outer-valence photoionization. By tracking electron and nuclear motion simultaneously, we reveal competing fragmentation pathways that produce low-energy electrons, which are key agents in radiation-induced chemistry, including DNA damage. While low-energy electrons are known to arise via intermolecular Coulombic decay, here we identify a faster relaxation mechanism gated by proton transfer following inner-valence ionization, which we call proton-transfer-mediated autoionization. Occurring within 10 femtoseconds, this process alters fragmentation outcomes, yielding either D 3 O + + OD + or D 2 O + + D 2 O + , depending on the interplay of proton migration and hydrogen back-transfer. Our findings underscore the intricate coupling between electronic and nuclear dynamics in hydrogen-bonded systems and establish proton-transfer-mediated autoionization as a significant pathway for low-energy electron generation.

Atomic and molecular interactions with photons↗
DOE OSTI2025

Proton transfer during reduction of the catalytic metallo-cofactors of the three nitrogenase isozymes

Nitrogenase catalyzes biological nitrogen fixation, the conversion of atmospheric N 2 into bioavailable ammonia. The three nitrogenase isozymes—Mo-nitrogenase, V-nitrogenase, and Fe-nitrogenase—utilize catalytic cofactors distinguished by their metal composition (Fe 7 M, M = Mo, V, or Fe; denoted FeM-co). Their catalytic cycles involve stepwise addition of 8[e−/H+] to FeM-co, generating intermediates designated E n , where n is the number of [e − /H + ] delivered. The electron-transfer has been extensively characterized, but the proton delivery has not. Here, we investigate [e − /H + ] delivery during early-stage conversions, primarily E 0 → E 1 (H), for each of the three nitrogenases, using as reductants γ-ray-generated thermolyzed, mobile electrons at 77 K, and radiation-generated solvent radicals during subsequent annealing to higher temperatures. Our results show E 0 → E 1 (H) conversion differs among the three MFe-proteins. The FeMo-co of MoFe-protein accepts an electron (ET) during 77 K γ-irradiation, but proton transfer (PT) to generate E 1 (H) is only enabled by conformational or thermodynamic activation upon cryoannealing to ∼200 K(ET/PT). For VFe-protein, E 1 (H) forms during annealing at-and-above 210 K by electron-transfer to FeV-co from radicals through proton-coupled electron transfer (PCET), which too is enabled by activated proton transfer. FeFe-protein differs in directly exhibiting delivery of protons at 77 K, which together with the mobile electrons react to form E 1 (H). This could well occur by PCET at 77 K, but does not preclude the possibility of sequential 77 K electron/proton transfer (ET/PT). In addition, 450 nm photolysis reveals the E 1 (H) state of FeV-co, like that of FeFe-co, contains a hydride bound to a formally oxidized cofactor. The mechanistic differences observed here provide a contribution towards understanding the sources of catalytic differences among the three nitrogenase isozymes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Diameter-dependent multiple proton jumps dictate hydronium and hydroxide transport in carbon nanotubes

Nanofluidic channels impose extreme confinement on water, giving rise to unusual transport phenomena of the liquid. However, how the transport of hydroxide and hydronium ions is influenced by such confinement is still not fully understood. This study employs machine learning-accelerated simulations, based on the SCAN density functional, to investigate proton transfer dynamics in CNTs of varying diameters (0.8 nm to 2.8 nm). The extreme confinement of water inside a 0.8 nm CNT not only enhances the probability of multiple consecutive proton jumps, but also reverses the relative diffusion coefficient of hydronium and hydroxide ions in bulk water. In CNTs with diameters larger than 0.8 nm, hydronium diffuses slightly faster than in bulk water, whereas hydroxide diffusion slows because of its localization near CNT walls, hindering multiple proton jumps. This work highlights the significant impact of nanoscale confinement on proton transfer dynamics, with implications for designing nanoscale systems with controlled proton transport.

Chemistry↗
DOE OSTI2026

FLASH-therapy suitable single-pulse proton generation using TiH 2 under nanosecond laser irradiation

We investigated proton emission from titanium hydride (TiH 2 ) targets irradiated in vacuum by a 6-ns, 1064-nm Nd:YAG laser. Time-of-flight measurements with a Faraday cup and an electrostatic ion analyzer resolved distinct proton peaks at high pulse energies, with yields on the order of 10 9 protons per shot. Systematic scans over pulse energy and up to 1000 repeated shots showed that, while the peak amplitude gradually decreased, the integrated proton number remained nearly constant. This behavior is consistent with surface-induced broadening of the plasma expansion while bulk hydrogen is replenished by diffusion and repeated ablation of fresh TiH 2 layers. Using the measured proton numbers and pulse widths, a simple direct-plasma-injection-style scaling indicates peak currents of ∼100 mA and sub-microsecond pulse durations. The pulse structure and yield satisfy key ultra-high-dose-rate criteria and, together with sustained output over 1000 shots, support TiH 2 -based laser ion sources as practical candidates for FLASH-therapy (ultra-high-dose-rate)-oriented studies and injector development using direct plasma injection.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Valence 1⁢𝑠−0⁢𝑑 proton vacancy of the 32 Si ground state

The 32 Si( 3 He,d) 33 P reaction was studied in inverse kinematics at 6.3 MeV/u. States in 33 P corresponding to the proton 1s-0d single-particle orbitals were identified up to ≈ 4.5 MeV in excitation energy. The ( 3 He,d) spectroscopic factors were determined from distorted-wave Born approximation calculations. When combined with complementary neutron-adding data, the 1s-0d proton vacancies in the 32 Si ground state were extracted. In conjunction with a reanalysis of data from previous single-particle measurements, the trends in proton and neutron vacancy were explored across the 28,30,32,34 Si isotopes. Both proton and neutron vacancy data show gradual changes in their occupancies. The proton 1s 1/2 orbitals in 32 Si and 34 Si are both consistent with being empty. In conclusion, the ground-state nucleon distributions are described by shell-model calculations constrained to the 1s-0d model space.

Watwood, N. [Argonne National Laboratory (ANL), Ar↗
DOE OSTI2024

Proton and neutron density distributions at supranormal density in low- and medium-energy heavy-ion collisions. II. Central Pb + Pb collisions

This paper represents a continuation of our investigation into the limitations on total, proton, and neutron particle number densities, as well as the asymmetry of proton and neutron density distributions achievable in central heavy-ion collisions. We explore these aspects at low and medium energies within the framework of the Boltzmann-Uhlenbeck-Uehling (pBUU) transport and time-dependent Hartree-Fock (TDHF) models. Previous studies, focusing on symmetric and asymmetric collisions of Ca and Sn nuclei [1], and initial results on Pb-nuclei collisions [2], emphasized the role of the Coulomb interaction in these events. Our findings indicated that: (i) the highest total densities predicted at 𝐸 beam = 800 MeV/nucleon were on the order of ≈ 2.5⁢𝜌 0 (𝜌 0 = 0.16 fm −3 ), (ii) the proton-neutron asymmetry for maximal densities, 𝛿=(𝜌$^{max}_{n}$− 𝜌$^{max}_{p}$)/(𝜌$^{max}_{n}$+𝜌$^{max}_{p}$), did not generally exceed the asymmetry in the initial state of the collision at all beam energies and tended to decrease during the reaction, and (iii) a significant portion of this asymmetry had its microscopic origin in Coulomb forces, masking the pure nuclear contribution. These new findings, particularly relevant in the astrophysical context, are further examined in this work, focusing on the heaviest target-projectile combination 212,208 Pb accessible in an experiment. We introduce the SkT3 Skyrme force model, not previously used for the Pb system, and compare it to the SV-bas and SV-sym34 models to explore the symmetry-energy dependence of the results. Contour plots of nucleonic densities are presented, contrasting the time evolution of the density distributions in low (TDHF) and high (pBUU) models. We also present the evolution of normalized maximal proton, neutron, and total nucleon number density with increasing beam energy in the full pBUU model and the Vlasov approximation, aiming to explore the impact of correlations in the reaction. The time evolution of the proton and neutron density distributions in the plane transverse to the beam direction is illustrated at both low and high beam energy. In conclusion, our detailed examination of the Pb system in this work provides further essential evidence that the aforementioned findings (i)–(iii) are only weakly dependent on system size and a symmetry-energy model, and thus, they are of more general importance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Proton emission in ultraperipheral Pb-Pb collisions at $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 5.02 TeV

The first measurements of proton emission accompanied by neutron emission in the electromagnetic dissociation (EMD) of 208 Pb nuclei in the ALICE experiment at the Large Hadron Collider are presented. The EMD protons and neutrons emitted at very forward rapidities are detected by the proton and neutron zero degree calorimeters of the ALICE experiment. The emission cross sections of zero, one, two, and three protons accompanied by at least one neutron were measured in ultraperipheral 208 Pb − 208 Pb collisions at a center-of-mass energy per nucleon pair $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 5.02TeV. The 0p and 3p cross sections are described by the RELDIS model within their measurement uncertainties, while the 1p and 2p cross sections are underestimated by the model by 17–25%. According to this model, these 0p, 1p, 2p, and 3p cross sections are associated, respectively, with the production of various isotopes of Pb, Tl, Hg, and Au in the EMD of 208 Pb . The cross sections of the emission of a single proton accompanied by the emission of one, two, or three neutrons in EMD were also measured. The data are significantly overestimated by the RELDIS model, which predicts that the (1p,1n), (1p,2n), and (1p,3n) cross sections are very similar to the cross sections for the production of the thallium isotopes 206,205,204 Tl.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Precision Mass Measurement of the Proton Dripline Halo Candidate 22 Al

Here, we report the first mass measurement of the proton-halo candidate 22 Al performed with the low energy beam ion trap facility’s 9.4 T Penning trap mass spectrometer at facility for rare isotope beams. This measurement completes the mass information for the lightest remaining proton-dripline nucleus achievable with Penning traps. 22 Al has been the subject of recent interest regarding a possible halo structure from the observation of an exceptionally large isospin asymmetry [J. Lee et al ., Large isospin asymmetry in Si22/O22 Mirror Gamow-Teller transitions reveals the halo structure of 22 Al , Phys. Rev. Lett. 125, 192503 (2020).]. The measured mass excess value of ME=18 092.5⁢(3) keV, corresponding to an exceptionally small proton separation energy of 𝑆𝑝=100.4⁢(8) keV, is compatible with the suggested halo structure. Our result agrees well with predictions from 𝑠⁢𝑑-shell USD Hamiltonians. While USD Hamiltonians predict deformation in the 22 Al ground state with minimal 1⁢𝑠 1/2 occupation in the proton shell, a particle-plus-rotor model in the continuum suggests that a proton halo could form at large quadrupole deformation. These results emphasize the need for a charge radius measurement to conclusively determine the halo nature.

binding energy↗
DOE OSTI2024

First Simultaneous Measurement of Differential Muon-Neutrino Charged-Current Cross Sections on Argon for Final States with and without Protons Using MicroBooNE Data

We report the first double-differential neutrino-argon cross section measurement made simultaneously for final states with and without protons for the inclusive muon neutrino charged-current interaction channel. The proton kinematics of this channel are further explored with a differential cross section measurement as a function of the leading proton’s kinetic energy that extends across the detection threshold. These measurements use data collected with the MicroBooNE detector from 6.4 × 10 20 protons on target from the Fermilab booster neutrino beam with a mean neutrino energy of ∼ 0.8 GeV . Extensive data-driven model validation utilizing the conditional constraint formalism is employed. This motivates enlarging the uncertainties with an empirical reweighting approach to minimize the possibility of extracting biased cross section results. The extracted nominal flux-averaged cross sections are compared to widely used event generator predictions revealing severe mismodeling of final states without protons for muon neutrino charged-current interactions, possibly from insufficient treatment of final state interactions. These measurements provide a wealth of new information useful for improving event generators which will enhance the sensitivity of precision measurements in neutrino experiments. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

IOTA experiment for proton pulse compression at extreme space-charge

The longitudinal compression of intense proton bunches with strong space-charge force is an essential component of a proton driver for a muon collider. We propose a proton bunch compression experiment at the Integrable Optics Test Accelerator (IOTA) storage ring at Fermilab to explore optimal radio frequency (RF) cavity and lattice configurations. IOTA is a compact fixed-energy storage ring dedicated to beam physics R&D that can circulate a 2.5-MeV proton beam with extreme space-charge. Using ImpactX and its 3D space-charge solver, simulations indicate that bunch length can be rapidly reduced by a factor of at least two, without appreciable degradation in transverse beam quality, even under strong space-charge conditions. However, longitudinal defocusing presents a large effect in short-pulsed proton beams, and the optimization of bunch compression under such conditions is discussed.

Simons, Benjamin [Northern Illinois U.; Fermilab]↗