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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

(Invited) Continuum Mathematical Modeling of Water Electrolysis: A Tutorial

Widespread use of hydrogen energy is contingent on the development of reliable and economical sources of hydrogen. Electrolysis from renewably-derived low-carbon electricity is a potentially viable method of hydrogen generation. Prime among the electrolysis technologies are those utilizing ion-conducting polymers (ionomers) including proton-exchange-membrane water electrolyzer (PEMWE). However, these technologies need to exhibit increased efficiency, performance, and durability to become commercially viable. Like most electrochemical devices, PEMWEs involve multiple components (e.g., catalyst, ionomer, transport layers, membrane, plates) and multiple phases, with phenomena occurring across different time and length scales. Furthermore, it is difficult to experimentally probe many of the species and phenomena during operation. Thus, mathematical modeling at the continuum level has been an invaluable aid in exploring, understanding, and optimizing PEMWE cell and components. Furthermore, this is especially true in the highly coupled and complex physics and chemistries that occur with the membrane-electrode assembly (MEA). The physics in a typical volume-averaged non-isothermal model include multiphase transport in porous media, concentrated-solution theory, Ohm's Law, and Butler-Volmer kinetics, and ion, gas, and water transport in the ionomer.

Dizon, Arthur↗
DOE OSTI2025

Proposal from the NA61/SHINE Collaboration for update of European Strategy for Particle Physics

Building on the current program's success and driven by new physics challenges, the NA61/SHINE Collaboration proposes to continue measuring hadron production properties in reactions induced by hadron and ion beams after CERN Long Shutdown 3. These measurements are of significant interest to the heavy-ion, cosmic-ray, and neutrino physics communities and will focus on: - Investigating hadron production in the light-ion systems to explore the diagram of high-energy nuclear collisions, and to obtain new insight into the unexpected violation of isospin (flavor) symmetry recently observed by the experiment; - Measuring charm-anticharm correlations to gain unique insights into the production locality of charm and anticharm quark pairs; - Examining strangeness and multi-strangeness production to improve our understanding of the early Universe's evolution and neutron star formation; - Measuring cross sections relevant for cosmic-ray measurements, significantly boosting searches for new physics in our Galaxy; - Conducting hadron production measurements with proton, pion, and kaon beams for neutrino physics, enhancing the precision of hadron production data needed for initial neutrino flux predictions in neutrino oscillation experiments; - Measuring hadron production processes relevant for understanding the flux of atmospheric neutrinos, as well as neutrinos and muons from spallation sources. To achieve these objectives, a detector upgrade and a beam upgrade are required, with data-taking planned for the period 2029-2032 and beyond.

Adhikary, H. [Jan Kochanowski U.] (ORCID:000000025↗
DOE OSTI2020

Bi-directional tuning of thermal transport in SrCoO x with electrochemically induced phase transitions

Unlike the wide-ranging dynamic control of electrical conductivity, there does not exist an analogous ability to tune thermal conductivity by means of electric potential. The traditional picture assumes that atoms inserted into a material’s lattice act purely as a source of scattering for thermal carriers, which can only reduce thermal conductivity. In contrast, here we show that the electrochemical control of oxygen and proton concentration in an oxide provides a new ability to bi-directionally control thermal conductivity. On electrochemically oxygenating the brownmillerite SrCoO 2.5 to the perovskite SrCoO 3–δ , the thermal conductivity increases by a factor of 2.5, whereas protonating it to form hydrogenated SrCoO 2.5 effectively reduces the thermal conductivity by a factor of four. This bi-directional tuning of thermal conductivity across a nearly 10 ± 4-fold range at room temperature is achieved by using ionic liquid gating to trigger the ‘tri-state’ phase transitions in a single device. We elucidated the effects of these anionic and cationic species, and the resultant changes in lattice constants and lattice symmetry on thermal conductivity by combining chemical and structural information from X-ray absorption spectroscopy with thermoreflectance thermal conductivity measurements and ab initio calculations. This ability to control multiple ion types, multiple phase transitions and electronic conductivity that spans metallic through to insulating behaviour in oxides by electrical means provides a new framework for tuning thermal transport over a wide range.

36 MATERIALS SCIENCE↗
DOE OSTI2025

NSUF RTE completion report for 23-4780: Microstructural Defect Induced Thermal Conductivity Reduction in Uranium Nitride and Thorium Nitride

Uranium nitride (UN) is known to have a higher thermal conductivity than traditional oxide fuels, which could lead to a more efficient energy transport and lower local temperature during its lifetime. But the thermal transport performance of UN in extreme environments has not been systematic studied. This study investigated the irradiation induced microstructural defects in UN and the impacts on thermal conductivity. The samples were produced by spark plasma sintering at University of Texas-San Antonio (UTSA), Los Alamos National Laboratory (LANL), and Idaho National Laboratory (INL). Thermal conductivity of UN before and after 2MeV proton irradiation were measured by using laser metrology at INL in a temperature range of 77-295K. Thermal conductivity measurements in this wide, cryogenic temperature range is critical to understand the phonon scattering mechanisms between the thermal energy carrier, phonons, and different types of irradiation-induced defects. In order to ensure the measurements were conducted in the same grains and minimize the impact of the local heterogeneities, the measurement locations were highlighted by fiducial marks using the focused ion beam (FIB) with grain orientation identified using the electron backscatter diffraction (EBSD) at the Center of Advanced Energy Studies (CAES). Irradiation experiment was conducted at the Ion Beam Laboratory at Texas A&M University (TAMU). A total of 6 samples were irradiated with different irradiation doses and temperatures. After irradiation, the microstructure was characterized by using Transmission Electron Microscope (TEM) at CAES (also in the FIB marks).

36 - MATERIALS SCIENCE↗
DOE OSTI2021

Favorable morphology and electronic conductivity of functional sublayers for highly efficient water splitting electrodes

Low electronic conductivities and improper morphologies of anode electrodes greatly limit the reaction area, catalyst utilization and efficiency in proton exchange membrane water electrolyzers. In this study, conductive sublayers with different conductivities and morphologies were introduced into anode electrodes in membrane-based water electrolyzers. In-situ and ex-situ investigation results showed that conductive sublayers (Au mesh and carbon nanotube (CNT) film) augmented the sheet conductivity of anode electrodes by up to 4000 times (from 2000 to 0.5 ohm square -1 ), and the ohmic resistance of water electrolyzers was reduced to 1/3 when inserting conductive sublayers. In addition, CNT film provided a higher electrochemical active area than Au mesh, because of favorable morphologies (large porosity and surface area) of CNT fibers on CNT films. Therefore, the current density of water splitting was increased by 3 times (from 4.55 mA cm -2 to 14.83 mA cm -2 ) at 2.5 V compared to a conventional anode electrode. Visualizations on bubble dynamics showed improved performances with conductive sublayers; this was mainly due to greatly increased number of reaction sites, highly spread reaction area (from 50 to 1000 um), and reduced activation overpotential. Therefore, a balance between high electronic conductivity and nanoporous morphology is essential to the anode electrode for larger reaction sites and areas in highly efficient water electrolyzers.

25 ENERGY STORAGE↗
DOE OSTI2026

Search for a boosted Higgs boson decaying to bottom quark pairs in association with a W or Z boson in proton-proton collisions at $\sqrt{s}$ = 13TeV

A search is conducted for standard model Higgs bosons with large transverse momentum ($p_\mathrm{T}$) decaying to bottom quark pairs and produced in association with a hadronically decaying W or Z boson at the LHC. The result is based on a dataset of proton-proton collisions at a center-of-mass energy of 13 TeV collected with the CMS detector in 2016$-$2018, corresponding to an integrated luminosity of 138 fb$^{-1}$. Boosted Higgs, W, and Z boson decays are reconstructed using large-radius jets with $p_\mathrm{T}$$\gt$ 450 GeV and identified with heavy-flavor classifiers based on a graph convolutional neural network. The observed signal strength relative to the standard model expectation is $μ$ = 0.72 $^{+0.75}_{-0.71}$ including statistical and systematic uncertainties.

CMS↗
DOE OSTI2024

Mechanisms of proton transport in aqueous acid solutions

The fundamental understanding of proton transport, specifically the Grotthuss-like mechanism, is critical for many technological applications. The present study presents a comprehensive analysis of proton transport in aqueous solutions of sulfuric and phosphoric acids using quasielastic neutron and light scattering, broadband dielectric spectroscopy, rheology, pulsed-field gradient-NMR measurements, and ab initio molecular dynamic simulations. Results show that in all systems, proton transport occurs through short “jumps” of ~0.5 Å that are faster than structural relaxation. However, proton hopping appears to be coupled to structural relaxation in aqueous solutions of sulfuric acid, while these processes are decoupled in phosphoric acid. Neutron scattering indicates that all protons have the same fast mobility in phosphoric acid systems, while at least one proton per sulfuric molecule remains slower than other protons. Analysis reveals correlated proton jumps, but these correlations suppress conductivity, suggesting that expected Grotthuss-like enhancement of conductivity is unlikely in bulk liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Theoretical understanding of stability of the oxygen electrode in a proton-conductor based solid oxide electrolysis cell

The oxygen electrode in a proton-conductor based solid oxide cells is often a triple-conducting material that enables the transport and exchange of electrons (e - ), oxygen ions (O 2- ), and protons (H + ), thus expanding active areas to enhance the oxygen electrode activity. In this work, a theoretical model was developed to understand stability of tri-conducting oxygen electrode by studying chemical potentials of neutral species (i.e., μ o 2 , μ H 2 , and μ H 2 O ) as functions of transport properties, operating parameters, and cell geometry. Our theoretical understanding shows that (1): In a conventional oxygen-ion based solid oxide cell, a high μ o 2 (thus high oxygen partial pressure) exists in the oxygen electrode during the electrolysis mode, which may lead to the formation of cracks at the electrode/electrolyte interface. Further, while in a proton-conductor based solid oxide cell, the μ o 2 is reduced significantly, suppressing the crack formation, and resulting in improved performance stability (2). In a typical proton-conductor based solid oxide electrolyzer, the dependence of μ o 2 on the Faradaic efficiency is negligible. Hence, approaches to block the electronic current can improve the electrolysis efficiency while achieving stability (3). The difference of the μ o 2 (thus p o 2 ) between the oxygen electrode and gas phase can be reduced by using higher ionic conducting components and improving electrode kinetics, which lead to further improvement of electrode stability.

08 HYDROGEN↗
DOE OSTI2020

Search for a light charged Higgs boson in the H$^\pm$ $\to $ cs channel in proton-proton collisions at $\sqrt{s} =$ 13 TeV

A search is conducted for a low-mass charged Higgs boson produced in a top quark decay and subsequently decaying into a charm and a strange quark. The data sample was recorded in proton-proton collisions at s=13 TeV by the CMS experiment at the LHC and corresponds to an integrated luminosity of 35.9 fb-1. The search is performed in the process of top quark pair production, where one top quark decays to a bottom quark and a charged Higgs boson and the other to a bottom quark and a W boson. With the W boson decaying to a charged lepton (electron or muon) and a neutrino, the final state comprises an isolated lepton, missing transverse momentum, and at least four jets, of which two are tagged as b jets. To enhance the search sensitivity, one of the jets originating from the charged Higgs boson is required to satisfy a charm tagging selection. No significant excess beyond standard model predictions is found in the dijet invariant mass distribution. An upper limit in the range 1.68%–0.25% is set on the branching fraction of the top quark decay to the charged Higgs boson and bottom quark for a charged Higgs boson mass between 80 and 160 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

High-gradient performance of a prototype accelerator cavity for a 3 GeV proton radiography booster

This paper reports the design, fabrication, and results of the high-gradient conditioning and testing for a two-cell, π -mode, standing wave normal-conducting prototype booster cavity for the proposed 3 GeV proton linac upgrade at Los Alamos Neutron Science Center. Increasing the energy of proton beam from the existing 800 MeV to 3 GeV will improve resolution of the proton radiography by up to 10 times. The proposed energy boost can be achieved with a compact normal-conducting high-gradient radio-frequency (rf) linac section. The C-band section of the booster linac was designed with optimized-shaped copper accelerator cavities with distributed rf coupling. A short two-cell test prototype structure was designed for the frequency of 5.712 GHz, fabricated, and tested at the C-band Engineering Research Test Facility in New Mexico (CERF-NM) at Los Alamos National Laboratory. The maximum klystron power coupled into the test structure was 8.3 MW with 1 μ s pulse length and 100 Hz repetition rate. The breakdown probabilities were recorded as functions of the accelerating gradient and peak surface fields. Operation of the test cavity at accelerating gradients of up to 100 MV / m was demonstrated. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Molecular determinants of pH sensing in the proton-activated chloride channel

In response to acidic pH, the widely expressed proton-activated chloride (PAC) channel opens and conducts anions across cellular membranes. By doing so, PAC plays an important role in both cellular physiology (endosome acidification) and diseases associated with tissue acidosis (acid-induced cell death). Despite the available structural information, how proton binding in the extracellular domain (ECD) leads to PAC channel opening remains largely unknown. Here, through comprehensive mutagenesis and electrophysiological studies, we identified several critical titratable residues, including two histidine residues (H130 and H131) and an aspartic acid residue (D269) at the distal end of the ECD, together with the previously characterized H98 at the transmembrane domain–ECD interface, as potential pH sensors for human PAC. Mutations of these residues resulted in significant changes in pH sensitivity. Some combined mutants also exhibited large basal PAC channel activities at neutral pH. By combining molecular dynamics simulations with structural and functional analysis, we further found that the β12 strand at the intersubunit interface and the associated “joint region” connecting the upper and lower ECDs allosterically regulate the proton-dependent PAC activation. Our studies suggest a distinct pH-sensing and gating mechanism of this new family of ion channels sensitive to acidic environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Calculations versus measurements for residual dose rates from SNS spent structures

Here, residual dose rate measurements were conducted on target vessel #13 and proton beam window #5 after extraction from their service locations. These measurements are used to verify calculation methods of radionuclide inventory assessment that are typically performed for nuclear waste characterization and transportation of these structures. Neutronics analyses for predicting residual dose rates are carried out using the transport code MCNPX and the transmutation code CINDER90. For transport analyses a complex and rigorous geometry model of the structures and their surroundings are applied. The neutronics analyses are carried out using the Bertini and CEM high energy physics models for simulating particles interactions above the table-based cross section range. Finally, obtained calculational results are analyzed and compared to the measured dose rates and overall show good agreement within 25%, which shows applicability of the methods used in analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics

The recent development of the Ehrenfest dynamics approach in the nuclear-electronic orbital (NEO) framework provides a promising way to simulate coupled nuclear-electronic dynamics. Our previous study showed that the NEO-Ehrenfest approach with a semi- classical traveling proton basis method yields accurate predictions of molecular vibrational frequencies. In this work, we provide a more thorough analysis of the semiclassical traveling proton basis method to elucidate its validity and convergence behavior. We also conduct NEO-Ehrenfest dynamics simulations to study an excited state intramolecular proton transfer process. These simulations reveal that nuclear quantum effects influence the predictions of proton transfer reaction rates and kinetic isotope effects due to the intrinsic delocalized nature of the quantum nuclear wave function. This work illustrates the importance of nuclear quantum effects in coupled nuclear-electronic dynamical processes and shows that the NEO-Ehrenfest approach can be a powerful tool to provide insights and predictions for these processes.

Zhao, Luning↗
DOE OSTI2022

Self-Adhesive Ionomers for Alkaline Electrolysis: Optimized Hydrogen Evolution Electrode

Hydrogen produced through low-temperature water electrolysis using anion exchange membranes (AEM) combines the benefits of liquid-electrolyte alkaline electrolysis and solid-polymer proton exchange membrane electrolysis. The anion conductive ionomers in the oxygen-producing anode and hydrogen-producing cathode are a critical part of the three-dimensional electrodes. The ionomer in the hydrogen-producing cathode facilitates hydroxide ion conduction from the cathode catalyst to the anode catalyst, and water transport from the anode to the cathode catalyst through the AEM. This ionomer also binds the catalyst particles to the porous transport layer. Here in this study, the cathode durability was improved by use of a self-adhesive cathode ionomer to chemically bond the cathode catalyst particles to the porous transport layer. It was found that the cathode ionomers with high ion exchange capacity (IEC) were more effective than low IEC ionomers because of the need to transport water to the cathode catalyst and transport hydroxide away from the cathode. The cathode durability was improved by using ionomers which were soluble in the spray-coated cathode ink. Optimization of the catalyst and ionomer content within the cathode led to electrolysis cells which were both mechanically durable and operated at low voltage.

08 HYDROGEN↗
DOE OSTI2020

Meso-Structured Polymer Electrolyte Fuel Cell Electrode

Increasing the utilization of Pt and Pt alloy catalysts in polymer electrolyte fuel cell cathodes is critical to improving the high power density operation, particularly at low Pt loadings. State of the art electrodes are fabricated in an ink deposition process that leads to uncontrolled electrode architecture with random aggregates of functional domains (catalyst, ionomer, and pore volume) (1). The randomness in the domains induces high tortuosity transport pathways for ions and fluids, which cause severe transport resistance during high current density operation. Thin ionomer films cause additional transport resistance and poisoning of the Pt catalyst, which becomes more significant at low Pt loadings. Reducing the amount of ionomer in the catalyst domain without affecting the ionic transport resistance is key to improving the utilization of the Pt and reducing the transport resistance at low Pt loading. Rational design of the electrode structure with controlled low tortuous ionic transport pathways could improve performance. The introduction of the ionomer pathways could also enable reduction of the ionomer volume in the catalyst domain, reducing the transport resistance. Middelmen et al. proposed electrode structures consisting of aligned components in a low tortuosity configuration to improve performance (2). In this work, we present an alternative electrode structure based on a vertically aligned array of Nafion pillars in the cathode catalyst layer, as shown in Figure 1a. Figure 1b shows the SEM image of the Nafion pillars. Furthermore, Pt supported on carbon catalyst was deposited on the Nafion pillars to fabricate a meso-structured electrode. Nafion pillars provide high conductive and low tortuous pathways for protons, reducing the effective transport distance, and enabling reduction of the ionomer binder in the catalyst domain.

25 ENERGY STORAGE↗
DOE OSTI2023

Tuning Alkaline Anion Exchange Membranes through Crosslinking: A Review of Synthetic Strategies and Property Relationships

Alkaline anion exchange membranes (AAEMs) are an enabling component for next-generation electrochemical devices, including alkaline fuel cells, water and CO2 electrolyzers, and flow batteries. While commercial systems, notably fuel cells, have traditionally relied on proton-exchange membranes, hydroxide-ion conducting AAEMs hold promise as a method to reduce cost-per-device by enabling the use of non-platinum group electrodes and cell components. AAEMs have undergone significant material development over the past two decades; however, challenges remain in the areas of durability, water management, high temperature performance, and selectivity. In this review, we survey crosslinking as a tool capable of tuning AAEM properties. While crosslinking implementations vary, they generally result in reduced water uptake and increased transport selectivity and alkaline stability. We survey synthetic methodologies for incorporating crosslinks during AAEM fabrication and highlight necessary precautions for each approach.

08 HYDROGEN↗
DOE OSTI2022

Thermodynamic, Kinetic and Electrochemical Studies on Mixed Proton, Oxygen Ion and Electron (Hole) Conductors

The report contains a summary of work done during the period of performance September 1, 2015 through August 31, 2021. The principal objective of the work was to conduct thermodynamic, kinetic and electrochemical studies on mixed proton, oxygen ion and electron (hole) conductors. The project also involved studies on cation conductors such as Li + and Na + ion conductors of particular relevance to batteries. The work involved theory and experiments. Since any use of ionic conductors necessarily entails two electrodes, electrode reactions are central to the overall transport processes from one electrode, through the electrolyte, to the other electrode. The role of interfaces and electrochemical reactions is thus of central importance. Transport processes in fuel cells, electrolyzers, lithium batteries and sodium batteries were examined using linear non-equilibrium thermodynamics, which is based on the assumption of small departures from thermodynamic equilibrium. The main approach involved expressing transport processes using the Onsager equations which naturally include coupling of thermodynamic flows and thermodynamic forces. The basic tenet of linear nonequilibrium thermodynamics is the existence of local thermodynamic equilibrium which means that all thermodynamic functions are locally defined. Thus, chemical potentials of various species are defined locally as a function of position and also of time. The existence of local thermodynamic equilibrium has fundamental implications concerning transport of electronic species through a predominantly ionic conductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Hohlraum fields with monoenergetic proton radiography at OMEGA

A more complete understanding of laser-driven hohlraum plasmas is critical for the continued development and improvement of ICF experiments. In these hohlraums, self-generated electric and magnetic fields can play an important role in modifying plasma properties such as heat transport; however, the strength and distribution of electromagnetic fields in such hohlraums remain largely uncertain. To explore this question, we conducted experiments at the OMEGA laser facility, using monoenergetic proton radiography to probe laser-driven vacuum hohlraums. We then utilized reconstructive methods to recover information about proton deflections. To interpret these reconstructions, a new technique for detangling the contributions of electric and magnetic fields to proton deflections was developed. This work was supported in part by the U.S. Department of Energy, the National Laser Users’ Facility, and the Laboratory for Laser Energetics.

Pearcy, Jacob A. (ORCID:0000000155817219)↗