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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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Neutron diffraction, thermogravimetry, and high temperature solution calorimetry measurements reveal insights into proton and oxygen-ion kinetics in BaCo 0.4 Fe 0.4 Zr 0.2− X Y X O 3− δ triple ionic–electronic conducting ceramics.
Entanglement entropy has emerged as a novel tool for probing nonperturbative quantum chromodynamics (QCD) phenomena, such as color confinement in protons. While recent studies have demonstrated its significant capability in describing hadron production in deep inelastic scatterings, the QCD evolution of entanglement entropy remains unexplored. Here, in this work, we investigate the differential rapidity-dependent entanglement entropy within the proton and its connection to final-state hadrons, aiming to elucidate its QCD evolution. Our analysis reveals a strong agreement between the rapidity dependence of von Neumann entropy, obtained from QCD evolution equations, and the corresponding experimental data on hadron entropy. These findings provide compelling evidence for the emergence of a maximally entangled state, offering new insights into the nonperturbative structure of protons.
Mitochondria are central to the intrinsic apoptotic pathway of programmed cell death. Commitment to cell death occurs upon mitochondrial outer membrane permeabilization, and dysregulation of this vital apoptotic control point is implicated in various pathologies. Provided herein are novel sensors which can detect, in real time and with great sensitivity, the release of protons from intact mitochondria caused by mitochondrial outer membrane permeabilization. Embodiments include graphene based ion-sensitive field effect transistors.
Here, the appearance of oxygenic photosynthesis 3–4 billion years ago is arguably one of the most important evolutionary developments which radically transformed both the biotic and abiotic landscapes of Earth. The presence of molecular oxygen enabled the evolution of complex lifeforms requiring large amounts of chemical energy which could only be produced by aerobic respiration. Additionally, molecular oxygen remodeled the geochemistry of the planet during its transition from a reducing to an oxidizing atmosphere during the Great Oxidation Event. Central to these processes is Photosystem II (PS II), the light energy-driven, water-plastoquinone oxidoreductase which initially evolved in cyanobacteria and subsequently was incorporated, along with Photosystem I (PS I), the cytochrome b 6 f complex and the Ndh complex, into all algae and higher plants by the process of endosymbiosis. This membrane protein complex releases molecular oxygen and protons as the byproducts of water splitting and produces plastoquinol, which provides reducing equivalents that are used sequentially by the cytochrome b 6 /f complex, PS I, and ultimately, as NADPH + H + , by the Calvin–Benson–Bassham cycle. Additionally, the protons released by PS II (and those pumped by the cytochrome b 6 /f complex and the NDH complex (during cyclic electron transfer)) form the proton motive force that drives ATP synthesis via the ATP Synthase, thus providing the chemical energy source for carbon fixation.
Persistent photoresponses require optical excitations to metastable states, which are rare of ionic origin due to the indirect photon-ion interaction. In this work, we explore the photoinduced metastable proton states in the proton-transfer type molecular ferroelectric croconic acid.We observe that, after the photoexcitation, the changes of structural and ferroelectric properties relax in ~10 3 s, indicating persistent photoresponses of ionic origin. In contrast, the photoconductivity relaxes within 1 s. The 10 3 s timescale suggests that the ionic metastable states result from proton transfer both along and out of the hydrogen bonds. Furthermore, this discovery unveils an ionic mechanism for the phototunability, which offers persistent opto-ferroelectric control for proton-transfer type molecular ferroelectrics.
Abstract Hydrogen fuel cells and electrolyzers operating below 600 °C, ideally below 400 °C, are essential components in the clean energy transition. Yttrium‐doped barium zirconate BaZr 0.8 Y 0.2 O 3‐d (BZY) has attracted a lot of attention as a proton‐conducting solid oxide for electrochemical devices due to its high chemical stability and proton conductivity in the desired temperature range. Grain interfaces and topological defects modulate bulk proton conductivity and hydration, especially at low temperatures. Therefore, understanding the nanoscale crystal structure dynamics in situ is crucial to achieving high proton transport, material stability, and extending the operating range of proton‐conducting solid oxides. Here, Bragg coherent X‐ray diffractive imaging is applied to investigate in situ and in 3D nanoscale dynamics in BZY during hydration over 40 h at 200 °C, in the low‐temperature range. An unexpected activity of topological defects and subsequent cracking is found on a nanoscale covered by the macroscale stability. The rearrangements in structure correlate with emergent regions of different lattice constants, suggesting heterogeneous hydration. The results highlight the extent and impact of nanoscale processes in proton‐conducting solid oxides, informing future development of low‐temperature protonic ceramic electrochemical cells.
Here, we have experimentally demonstrated the first non-intrusive 1-GeV proton beam extraction for the generation of muons with a temporal structure optimized for Muon Spin Relaxation/Rotation/Resonance (μSR) applications. The proton pulses are extracted based on the laser neutralization of 1 GeV hydrogen ion (H - ) beam in the high energy beam transport of the Spallation Neutron Source (SNS) accelerator. The maximum flux of the extracted proton beam based on laser neutralization causes only 0.2% reduction of the total proton beam used for neutron production, a marked difference from the 20% reduction at other co-located muon and neutron facilities, and thus the proposed method will result in negligible impact on the SNS operation. This paper describes the development of a fiber/solid-state hybrid laser system that has high flexibility of pulse structure and output power, initial experiments on laser neutralization of beam and separation of H 0 beam from the existing SNS accelerator beam line, conversion of H 0 to proton at the SNS linac dump, and measurement results of 30 ns/50 kHz proton pulses. This system conclusively demonstrates the feasibility of laser-based proton beam extraction to power a world-leading μSR facility at the SNS.
The accuracy of the density-functional tight-binding (DFTB) method in describing noncovalent interactions is limited due to its reliance on monopole-based spherical charge densities. In this study, we present a multipole-extended second-order DFTB (mDFTB2) method that takes into account atomic dipole and quadrupole interactions. Furthermore, we combine the multipole expansion with the monopole-based third-order contribution, resulting in the mDFTB3 method. To assess the accuracy of mDFTB2 and mDFTB3, we evaluate their performance in describing noncovalent interactions, proton transfer barriers, and dipole moments. Here, our benchmark results show promising improvements even when using the existing electronic parameters optimized for the original DFTB3 model. Both mDFTB2 and mDFTB3 outperform their monopole-based counterparts, DFTB2 and DFTB3, in terms of accuracy. While mDFTB2 and mDFTB3 perform comparably for neutral and positively charged systems, mDFTB3 exhibits superior performance over mDFTB2 when dealing with negatively charged systems and proton transfers. Overall, the incorporation of the multipole expansion significantly enhances the accuracy of the DFTB method in describing noncovalent interactions and proton transfers.
Proton-conducting materials are essential to the emerging hydrogen economy. Covalent triazine frameworks (CTFs) are promising proton-conducting materials at high temperatures but need more effective sites to strengthen interaction for proton carriers. However, their construction and design in a concise condition are still challenges. Herein, we show a low temperature approach to synthesize CTFs via a direct cyclotrimerization of aromatic aldehyde using ammonium iodide as facile nitrogen source. Among the CTFs, the perfluorinated CTF (CTF-TF) was successfully synthesized with much lower temperature ( ≤ 160 °C) and open-air atmosphere. Due to the additional hydrogen-bonding interaction between fluorine atoms and proton carriers (H 3 PO 4 ), the CTF-TF achieves a proton conductivity of 1.82 × 10 -1 S cm -1 at 150 °C after H 3 PO 4 loading. Moreover, the CTF-TF can be readily integrated into mixed matrix membranes, displaying high proton conduction abilities and good mechanical strength. This work provides an alternative strategy for rational design of proton conducting media.
Metal pyrophosphates (MPPs) in general, and tin pyrophosphate (TPP) in particular, have received significant interest in the last decade due to their potential as proton conductors for electrolyte application in intermediate temperature (IT)-fuel cells. However, for MPP based electrolytes, despite high reported proton conductivities, achieving good fuel cell performance and high open circuit voltage (OCV) remains a challenge with synthesis methods playing a crucial role in determining the final proton conductivity. Here we report the role of phosphate precursor in determining the TPP proton conductivity by examining five different precursors: (1) phosphoric acid (TPP-PA), (2) ammonium hydroxide + phosphoric acid (TPP-NH 4 OH), (3) diammonium phosphate (TPP-DAP), (4) tetramethylammonium sulphate + phosphoric acid (TPP-TMAP), and (5) tetrabutylammonium phosphate (TPP-TBAP), where a maximum conductivity of 88 mS cm -1 at 200 °C was obtained for TPP prepared from the TBAP precursor. TPP prepared from all of the different precursors formed the crystalline cubic Pa-3 with combining macron] phase after sintering at 650 °C for 2.5 hours. Furthermore, TPP-TBAP/Nafion® composite membranes prepared with a 90 : 10 ratio exhibited an OCV of 0.98 V and produced a maximum peak power density (PPD) of 630 mW cm -2 at an operating temperature of 220 °C. Our results demonstrate the significant impact of the TPP precursor on proton conductivity and fuel cell performance.
Polarized ion beams at the Electron Ion Collider (EIC) are essential to address some of the most important open questions at the twenty-first century frontiers of understanding of the fundamental structure of matter. Here, in this work, we summarize the science case and identify polarized 2 H, 3 He, 6 Li, and 7 Li ion beams as critical technology that will enable experiments which address the most important science. Furthermore, we discuss the required ion polarimetry and spin manipulation at the EIC. The current EIC accelerator design is presented. We identify a significant research and development effort across national and international laboratories and universities that is required over about a decade to realize the polarized ion beams and estimate (based on previous experience) that it will require about 20 full-time equivalent (FTE) over 10 years (or a total of about 200 FTE-years) of personnel, including graduate students, postdoctoral researchers, technicians, and engineers. Attracting, educating, and training a new generation of physicists in experimental spin techniques will be essential for the successful realization. Artificial intelligence and machine learning are seen as having significant potential for both acceleration of research and development and amplification of discovery in the optimal realization of this unique quantum technology on a cutting-edge collider. The research and development effort is synergistic with research in atomic physics and fusion energy science.
The main objective of the FOOT (FragmentatiOn of Target) experimentis to measure the double differential cross-sections with respect to the kineticenergy and the angle of emission of fragments produced in nuclear interactions withan accuracy of 5%. Measurements will use the inverse kinematics approach to studythe interaction of heavy ions with proton-rich targets and will be performed in twoenergy regions, one up to 400 MeV/u, to assess the effects of nuclear fragmentationin hadrontherapy treatment with proton beams, and up to 700 MeV/u, to improvethe knowledge of the fragmentation of ions on nuclei to help with the design of spacevehicles shielding.
We investigate the alpha-decay width of a near proton-threshold resonance in 11 B by the excitation functions of 7 Li(α, α) and 7 Li(α, α’) reactions. This resonance is an example of loosely bound atomic nuclei, understood as small open quantum systems, that exhibit properties significantly influenced by their coupling to the continuum. The present experiment focuses on the formation of a specific state in 11 B at excitation energy in the region near 11.4 MeV by bombarding a 7 Li target with a 4 He beam at energies ranging from 3.92 to 4.56 MeV in the laboratory frame. The study provides data complementary to previous observations of the proton emission in the β-decay of the neutron-rich halo nucleus 11 Be. An R-matrix fit to the data provides resonance energy and partial widths consistent with J π =1/2 + for a narrow near-threshold state in 11 B at 11.400(20) MeV, that is 171(20) keV above the proton emission threshold, with partial α-decay width Γ α =2.5$^{+3.5}_{–1.5}$ keV in elastic scattering and Γ α' =15.8$^{+1.9}_{–0.4}$ keV in inelastic scattering. These findings contribute to the understanding of the structure of this open quantum system resonance.
Oxidation of cysteine residues constitutes an important regulatory mechanism in the function of biological systems. Much of this behavior is controlled by the specific chemical properties of the thiol side-chain group, where reac-tions with reactive oxygen species take place. Herein, we in-vestigated the entire cysteine oxidation cycle Cys-SH ? Cys-SOnH (n = 1, 2, 3) using cryogenic negative ion photoelectron spectroscopy and quantum-chemical calculations. The conven-tional view on the first reversible oxidation step (n = 1) is as-sociated with sulfinate species. Yet our results indicate that an alternative option exists in the form of novel distonic radical anion •OS-CH2CH(NH2)-COO- with an unpaired electron on the thiol group and excess negative charge on the carboxylate. Higher order oxidation states (n = 2, 3) are thought to be asso-ciated with irreversible oxidative damage, and our results show that excess negative charge in those cases migrates to -SOn- group. Furthermore, these species are stable towards 1e oxidation, as opposed to the n = 1 case that undergoes intra-molecular proton transfer. The molecular level insights report-ed in this work provide direct spectroscopic evidences towards unique chemical versatility of Cys-sulfenic acid (Cys-SOH) in post-translational modifications of protein systems. This research was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences (X.-B. W. and M. V.) and was performed at the EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory. Z. B. Q. acknowledges additional support from the National Natural Science Foundation of China (Grant No. 21873003 and 21503003) and the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase) (Grant No. U1501501) and Super Computation of Shenzhen.
Sources of negative ions such as H - are essential elements of proton accelerators and tokamaks. They have limited lifetime. The replacement of an ion source is a costly process causing delays in the operation of the entire machine. The hot tungsten filament is the key element that limits the lifetime of the H - ion source at the Los Alamos Neutron Science Center (LANSCE) facility. An accurate model, which describes the filament physics and provides a reliable estimate on its lifetime, may significantly improve the operation of the facility. In this report we describe such a model, including a comprehensive list of relevant physical processes from first principles. The model can be used to describe different regimes of operation using diagnostics data as input parameters. It has been benchmarked against the data collected during the production cycle at LANSCE and shows good agreement with experimental data.
Materials with field-tunable polarization are of broad interest to condensed matter sciences and solid-state device technologies. Here, using hydrogen (H) donor doping, we modify the room temperature metallic phase of a perovskite nickelate NdNiO 3 into an insulating phase with both metastable dipolar polarization and space-charge polarization. We then demonstrate transient negative differential capacitance in thin film capacitors. The space-charge polarization caused by long-range movement and trapping of protons dominates when the electric field exceeds the threshold value. First-principles calculations suggest the polarization originates from the polar structure created by H doping. We find that polarization decays within ~1 second which is an interesting temporal regime for neuromorphic computing hardware design, and we implement the transient characteristics in a neural network to demonstrate unsupervised learning. These discoveries open new avenues for designing ferroelectric materials and electrets using light-ion doping.
The goal of the Multi-Probe experimental campaign is to assess the feasibility of using multiple probe types (x ray, proton, neutron, and electron) in future LANL radiographic facilities. The experiments proposed for FY23 will begin developing a neutron source for radiography at Omega EP.