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08 HYDROGEN↗
SEARCH · Engineering Papers
Results for “proton science”
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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Resolving Heterogeneous Dynamics of Excess Protons in Aqueous Solution with Rate Theory
Rate theories have found great utility across the chemical sciences by providing a physically transparent way to analyze dynamical processes. Here we demonstrate the benefits of using transition state theory and Marcus theory to study the rate of proton transfer in HCl solutions. By using long ab initio molecular dynamics simulations we show that good agreement is obtained between these two different formulations of rate theory and how they can be used to study the pathways and life-time of proton transfer in aqueous solution. Since both rate theory formulations utilize identical sets of molecular data, this provides a self-consistent theoretical picture of the rates of aqueous phase proton transfer. Specifically, we isolate and quantify the rates of proton transfer, ion-pair dissociation, and solvent exchange in concentrated HCl solutions. Our analysis predicts a concentration dependence to both proton transfer and ion-pairing. Moreover, our estimate of the life-time for the Zundel species is 0.8 ps and 1.3 ps for 2M and 8M HCl, respectively. In this paper, we demonstrate that concentration effects, can indeed be quantified through the combination of state-of-the-art simulation and theory and provides a picture of the important correlations between the cation (hydronium) and the counter-ion in acid solutions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Development of the detector array for photons, protons, and exotic residues
Accurate neutron capture predictions are needed in fundamental and applied science. Empirical models are constrained largely for stable nuclei, but predictions far from stability are needed. Neutron transfer in (d,p) reactions in inverse kinematics with rare isotope beams offer a means to access key aspects of the capture process. To this end, the detector array for photons, protons, and exotic residues (DAPPER) has been designed, built, tested, and used for measurement at Texas A&M University.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Development of the Detector Array for Photons, Protons, and Exotic Residues
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McIntosh, A. B [Texas A& M University]↗
Chemical bond reorganization in intramolecular proton transfer revealed by ultrafast X-ray photoelectron spectroscopy
Time-resolved X-ray photoelectron spectroscopy (TR-XPS) is used in a simulation study to monitor the excited state intramolecular proton transfer between oxygen and nitrogen atoms in 2-(iminomethyl)phenol. Real-time monitoring of the chemical bond breaking and forming processes is obtained through the time evolution of excited-state chemical shifts. By employing individual atomic probes of the proton donor and acceptor atoms, we predict distinct signals with opposite chemical shifts of the donor and acceptor groups during proton transfer. Details of the ultrafast bond breaking and forming dynamics are revealed by extending the classical electron spectroscopy chemical analysis to real time. Through a comparison with simulated time-resolved photoelectron spectroscopy at the valence level, the distinct advantage of TR-XPS is demonstrated thanks to its atom specificity.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Development of a Platform at the Matter in Extreme Conditions End Station for Characterization of Matter Heated by Intense Laser-Accelerated Protons
High intensity short-pulse lasers have made possible the generation of energetic proton beams, unlocking numerous applications in high energy density science. One such application is uniform and isochoric heating of materials to the warm dense matter (WDM) state. We have developed a new experimental platform to simultaneously create and probe warm dense matter at the Matter in Extreme Conditions (MEC) end station at the Linac Coherent Light Source (LCLS). The short pulse optical laser (delivering up to 1 J in 45 fs) and the ultra-bright LCLS x-ray laser with tunable frequency respectively deliver high power required to heat materials to WDM and precision-timed high-resolution x-rays to probe them. The laser-accelerated proton beam driven from a flat 1.5 μm Cu foil was first measured then directed to a secondary sample of Al or polypropylene, typically 300-400 μm away. The time evolution of the sample electron temperature was measured using streaked optical pyrometry, where we observed a peak temperature of 0.9 0.15 eV on the rear surface of an Al sample heated by the proton beam. Here, the simulations using the hybrid-PIC code LSP and the rad-hydro code HELIOS show that a measured proton beam can heat Al to approximately 4 eV and polypropylene to 1 eV if instead focused by a hemispherical Cu target. Through additional LSP simulations, we anticipate creating hotter warm dense matter states (20 eV) by increasing the laser energy to 10 J and keeping the other laser parameters fixed.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
A mini-review on proton conduction of BaZrO 3 -based perovskite electrolytes
Abstract Proton conducting ceramics show promise in fuel cells, electrolyzers, permeation membranes, sensor applications, and membrane reactors. Among several types of materials that exhibit proton conduction, perovskite oxides show high proton conductivity at intermediate temperatures, presenting potential benefits for long-term use and lower costs for energy applications. Doped barium zirconate, BaZrO 3 , is a material that has shown high proton conductivity with encouraging chemical stability. Therefore, it is considered a promising material especially for proton-conducting solid oxide electrochemical cells. Although the proton conduction of doped BaZrO 3 has been extensively characterized, the specific phenomena behind its proton conduction are not fully understood. Only recently have specialized techniques and computational tools begun to elucidate the phenomena that determine the conduction properties of the material. In this mini review, an evaluation of the factors affecting the proton conductivity of doped BaZrO 3 perovskites and the phenomena governing variations in proton concentration and mobility are presented. Special attention is given to proton interactions with dopants and their resulting effect on hydration and transport properties. Technical strategies are provided to give some guidance on the development of protonic ceramics in energy conversion applications.
08 HYDROGEN↗
Defining the Mechanism of Proton Pumping in Heme-Copper Oxidases
During this award, progress was made in two distinct areas of science, one was within the context of bioinorganic chemistry and another in the context of biomimetic, small molecule chemistry. The overarching goals of this work was to understand the fundamental mechanistic drivers for biological reactions specifically, proton transfer reactions. In the biochemical sphere, this goal was investigated through investigation of the bacterial proton pump, ubiquinol oxidase (UbO). Further work in the bioinorganic space was completed in collaboration with the Bandarian group on a novel natural peptide product. While in the biomimetic space, this work was explored through a computational collaborative study with the Riordan group relating to proton coupled electron transfers in iron complexes as relating to the heme active site in proton pumping enzymes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A TOPAS model for lens-based proton radiography
Abstract Objective. Proton Radiography can be used in conjunction with proton therapy for patient positioning, real-time estimates of stopping power, and adaptive therapy in regions with motion. The modeling capability shown here can be used to evaluate lens-based radiography as an instantaneous proton-based radiographic technique. The utilization of user-friendly Monte Carlo program TOPAS enables collaborators and other users to easily conduct medical- and therapy- based simulations of the Los Alamos Neutron Science Center (LANSCE). The resulting transport model is an open-source Monte Carlo package for simulations of proton and heavy ion therapy treatments and concurrent particle imaging. Approach. The four-quadrupole, magnetic lens system of the 800-MeV proton beamline at LANSCE is modeled in TOPAS. Several imaging and contrast objects were modelled to assess transmission at energies from 230–930 MeV and different levels of particle collimation. At different proton energies, the strength of the magnetic field was scaled according to βγ, the inverse product of particle relativistic velocity and particle momentum. Main results. Materials with high atomic number, Z, (gold, gallium, bone-equivalent) generated more contrast than materials with low-Z (water, lung-equivalent, adipose-equivalent). A 5-mrad collimator was beneficial for tissue-to-contrast agent contrast, while a 10-mrad collimator was best to distinguish between different high-Z materials. Assessment with a step-wedge phantom showed water-equivalent path length did not scale directly according to predicted values but could be mapped more accurately with calibration. Poor image quality was observed at low energies (230 MeV), but improved as proton energy increased, with sub-mm resolution at 630 MeV. Significance. Proton radiography becomes viable for shallow bone structures at 330 MeV, and for deeper structures at 630 MeV. Visibility improves with use of high-Z contrast agents. This modality may be particularly viable at carbon therapy centers with accelerators capable of delivering high energy protons and could be performed with carbon therapy.
60 APPLIED LIFE SCIENCES↗
Search for an s -wave resonance in Li 7 just above the proton-decay threshold
Near-threshold resonances play an important role in nucleosynthesis and applied nuclear science. The study of nuclei removed from stability has greatly extended the list of resonances close to decay thresholds. The no core shell model with continuum (NCSMC) recently predicted an s-wave resonance just above the proton-decay threshold of 7 Li at an excitation energy of 10.2 MeV. This potential case of a near-threshold resonance is dependent on the quantum mechanics of the p + 6 He fragments extended into the continuum. Further, the 6 He(d,n) 7 Li* reaction was employed in an attempt to populate this resonance and search for its proton decay via the invariant-mass method. No evidence of this resonance was found. However, the data collected in this search led to better constraints on the energy and width of the isobaric analog state (IAS) with (J π ,T) = (3/2 - , 3/2) and revealed a new weak resonance just above the IAS in energy, predicted by the NCSMC as a (J π , T ) = (3/2 – , 1/2) state and potentially a part of the antianalog structure.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Water, Protons, and the Gating of Voltage-Gated Potassium Channels
Ion channels are ubiquitous throughout all forms of life. Potassium channels are even found in viruses. Every cell must communicate with its surroundings, so all cells have them, and excitable cells, in particular, especially nerve cells, depend on the behavior of these channels. Every channel must be open at the appropriate time, and only then, so that each channel opens in response to the stimulus that tells that channel to open. One set of channels, including those in nerve cells, responds to voltage. There is a standard model for the gating of these channels that has a section of the protein moving in response to the voltage. However, there is evidence that protons are moving, rather than protein. Water is critical as part of the gating process, although it is hard to see how this works in the standard model. Here, we review the extensive evidence of the importance of the role of water and protons in gating these channels. Our principal example, but by no means the only example, will be the Kv1.2 channel. Evidence comes from the effects of D2O, from mutations in the voltage sensing domain, as well as in the linker between that domain and the gate, and at the gate itself. There is additional evidence from computations, especially quantum calculations. Structural evidence comes from X-ray studies. The hydration of ions is critical in the transfer of ions in constricted spaces, such as the gate region and the pore of a channel; we will see how the structure of the hydrated ion fits with the structure of the channel. In addition, there is macroscopic evidence from osmotic experiments and streaming current measurements. The combined evidence is discussed in the context of a model that emphasizes the role of protons and water in gating these channels.
59 BASIC BIOLOGICAL SCIENCES↗
Proposal for a dedicated search for millicharged and fractionally charged particles at LANL
In this paper, we propose an experiment, LANSCE-mQ, aiming to detect fractionally charged and millicharged particles (mCPs) using an 800 MeV proton beam fixed target at the Los Alamos Neutron Science Center (LANSCE) facility at Los Alamos National Laboratory. This search can shed new light on numerous fundamental questions, including charge quantization, the predictions of string theories and grand unification theories, the gauge symmetry of the Standard Model, dark sector models, and the tests of cosmic reheating. We propose to install two-layer scintillation detectors made of plastic (such as EJ-200) or CeBr 3 to search for mCPs. Dedicated geant4 detector simulations and in situ measurements have been conducted to obtain a preliminary determination of the background rate. The dominant backgrounds are beam-induced neutrons and coincident dark current signals from the photomultiplier tubes, while beam-induced high-energy photons ( γ ’s) and cosmic muons are subdominant. We determined that LANSCE-mQ, the dedicated mCP experiment, has the leading mCP sensitivity for mass between ∼ 1 and 300 MeV.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Experimental Studies of Single Invariant Quasi-Integrable Nonlinear Optics at IOTA
The Integrable Optics Test Accelerator is a research electron and proton storage ring recently commissioned at the Fermilab Accelerator Science and Technology facility. Its research program is focused on testing novel techniques for improving beam stability and quality, notably the concept of non-linear integrable optics. In this paper, we report on run 1 results of experimental studies of a quasi-integrable transverse focusing system with one invariant of motion, a Henon-Heiles type system implemented with octupole magnets. Good agreement with simulations is demonstrated on key parameters of achievable tune spread, dynamic aperture, and invariant conservation. We also outline current simulation and hardware improvement efforts for run 2, planned for fall of 2019.
43 PARTICLE ACCELERATORS↗
Twentieth Exotic Beam Summer School (EBSS2023)
The study of unstable nuclei with unusual ratios of protons to neutrons is one of the frontiers of science. Investigating these rare isotopes is critical for understanding the synthesis of the chemical elements in stellar explosions as well as the fundamental nature of the nuclear forces that bind atomic nuclei together. Scientific progress in this field is driven by the development of exotic beams in present and next-generation rare-isotope beam facilities including the Facility for Rare Isotope Beams (FRIB). Nuclear physics is a broad discipline, influencing our knowledge on subjects as diverse as weakly-bound nuclei, many-body quantum theory, the super heavy elements, and the inner structure of neutron stars. Applications based on nuclear science and technologies include medical diagnostics and therapies, materials science, and national security. The major goal achieved in this project was to hold Exotic Beam Summer School 2023 (EBSS2023), the twentieth installment of EBSS series, July 9-15, 2023 at the Facility for Rare Isotope Beams on the campus of Michigan State University to educate and train the next generation of scientists that will drive research with rare-isotope beams. FRIB became operational in 2022 and is now providing beams of exotic nuclei that will ramp up to unmatched intensities, exceeding what is available today by orders of magnitude. Beams available at FRIB are facilitating a wide variety of studies in nuclear structure, astrophysics, fundamental symmetries and societal applications. There is a large community of scientists interested in working with rare isotope beams; for example, the FRIB User Organization currently has over 1,700 members. In order to maximize the scientific output of FRIB, there must be a workforce continuously trained in both the physics of exotic beams and in the practical techniques of carrying out an experiment. This summer school series is designed to specifically address this need - to ensure that new generations of scientists from a broad range of institutions and backgrounds is trained, motivated, and equipped to push the field forward to new and important breakthroughs.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Modelling Beam Loss Within the LANSCE Proton Storage Ring
Several upgrades are being considered for the proton storage ring (PSR) at the Los Alamos Neutron Science Center (LANSCE) to reduce beam loss and thereby reduce the cooldown period of the PSR following a beam run. First, we have considered an increased beam pipe diameter would reduce beam loss due to beam scraping caused by misalignments and tuning errors. However, this would require increased pole-to-pole gap height within the dipoles and quadrupoles, which would change their effective length and alter their fringe fields. The effect of different magnet gaps on the beam optical parameters and on beam loss was studied using the simulation codes MAD-X and PyORBIT. Second, we are developing a detailed particle tracking model within the framework of the simulation package General Particle Tracer (GPT) for the PSR H - stripping system. This model will be used to study the effect of the stripper foil parameters (position, composition, areal density, depth, etc.) on first-turn losses, where most of the observed beam loss and emittance growth occurs due to foil scattering, foil stripping, and Lorentz stripping. The model implements C++ custom elements created to model foil scattering, foil stripping, and Lorentz stripping, as these are not built-in features of GPT. The preliminary results of the MAD-X and PyORBIT simulations, as well as the GPT simulation model, is described in this tech note.
43 PARTICLE ACCELERATORS↗
Finding the path to a better Mars rover
A Microrover Flight Experiment (MFEX) based on a basic Rocky 4 design and conducted in the framework of the NASA Mars Environmental Survey (MESUR) Pathfinder program is described. The MFEX rover design features six powered wheels attached by a set of 'bogie levers' to a single body. The rover is designed to perform technology, science, and mission experiments. Instruments on the rover mechanisms will determine wheel-soil interactions, detect hazards, and determine navigational errors. Science data will be gathered using an alpha-proton-X-ray spectrometer against one or more rocks, and possible soil. The pathfinder will also serve as an engineering test of a transport and landing system for the MESUR network mission and the rover will image the lander to assess its condition.
Pivirotto, Donna S.↗
Corrosion Testing Of Additively Manufactured Stainless Steel 316H In Molten Salt Environments
The development of a new ASTM standard for evaluating the corrosion resistance of additive manufactured (AM) stainless steel (SS) 316H in chloride molten salts is critical for the use of these materials in extreme environments such as molten salt reactors (MSRs). This report pertains to a work package of the Advaned Materials and Manufacturing Technologies (AMMT) developing a systematic methodology to link changes in AM fabrication parameters, namely surface finishing, porosity, microstructure, and chemical heterogeneity, to corrosion performance in NaCl-MgCl2 salt, a proposed secondary coolant for MSRs. During Fiscal Year 2024, Idaho National Laboratory investigators in the AMMT program, utilized SS316H bars, fabricated with laser bed powder fusion at Los Alamos National Laboratory, to establish and optimize the workflow for evaluating these process-to-performance relationships. Standard practices for specimen preparation were established using these specimens, with particular focus on descaling and sectioning methods that align with ASTM guidelines. A comprehensive experimental design for static corrosion testing was developed, with pre- and post-exposure analysis utilizing optical microscopy and scanning electron microscopy. So far standard descaling techniques were optimized, one static corrosion test was conducted on the LANL AM SS316H specimens, and pre- and post-corrosion practices were established. In addition, the work package yielded a review paper on corrosion testing gaps for AM materials in nuclear applications and submitted a proposal for a rapid-turnaround experiment to the Nuclear Science User Facilities Program to investigate the combined effects of proton irradiation and corrosion on AM SS316H. This work package establishes a foundation for evaluating processing-to-performance relationships for AM SS316H in harsh conditions, contributing to the safe and efficient design of components for next-generation nuclear reactors. The creation of a standardized methodology and the generation of relevant publications and future research pathways represent significant strides towards integrating AM materials into critical applications where corrosion resistance is paramount.
36 MATERIALS SCIENCE↗
Multi–length scale characterization of point defects in thermally oxidized, proton irradiated iron oxides
A key for the success of safe nuclear power generation system is to consider structural materials that are economical, meet mechanical property needs, possess good corrosion resistance, and are radiation tolerant. Nevertheless, fundamental insights that elucidate the details of radiation damage on materials corrosion performance are lacking. This includes the behavior of surface oxides which often regulate corrosion. For example, it is unclear how non-equilibrium point defects, oxide structure, mass transport in oxides, and subsequent oxidation behavior are altered by the radiation. Here, in this work, some of the effects of proton irradiation on the attributes of point defects, iron oxide microstructures, and the physical nature of the oxidation product were correlated with corrosion behavior. Iron oxides, fabricated by thermal oxidation in air at 400°C and 800°C for 1 h, were subjected to 200 keV, 0.03 dpa (displacements per atom) of proton irradiation, and subjected to corrosion reactivity assessment using AC and DC electrochemical methods. Experimental methods that target materials information at different length scales, such as positron annihilation spectroscopy (atomistic), transmission electron microscopy (mesoscopic), and electrochemical methods (macroscopic), were coupled to shed light on the impact of radiation-induced defect modifications and structural changes in oxides on corrosion reactivity which ultimately affects durability in harsh environments.
36 MATERIALS SCIENCE↗