Showing papers on "Proton published in 2017"

The Rydberg constant and proton size from atomic hydrogen

Abstract: At the core of the “proton radius puzzle” is a four–standard deviation discrepancy between the proton root-mean-square charge radii ( r p ) determined from the regular hydrogen (H) and the muonic hydrogen (µp) atoms. Using a cryogenic beam of H atoms, we measured the 2S-4P transition frequency in H, yielding the values of the Rydberg constant R ∞ = 10973731.568076(96) per meter and r p = 0.8335(95) femtometer. Our r p value is 3.3 combined standard deviations smaller than the previous H world data, but in good agreement with the µp value. We motivate an asymmetric fit function, which eliminates line shifts from quantum interference of neighboring atomic resonances.

Proton and Helium Spectra from the CREAM-III Flight

Abstract: Primary cosmic-ray elemental spectra have been measured with the balloon-borne Cosmic Ray Energetics And Mass (CREAM) experiment since 2004. The third CREAM payload (CREAM-III) flew for 29 days during the 2007–2008 Antarctic season. Energies of incident particles above 1 TeV are measured with a calorimeter. Individual elements are clearly separated with a charge resolution of ∼0.12 e (in charge units) and ∼0.14 e for protons and helium nuclei, respectively, using two layers of silicon charge detectors. The measured proton and helium energy spectra at the top of the atmosphere are harder than other existing measurements at a few tens of GeV. The relative abundance of protons to helium nuclei is 9.53 ± 0.03 for the range of 1 TeV/n to 63 TeV/n. This ratio is considerably smaller than other measurements at a few tens of GeV/n. The spectra become softer above ∼20 TeV. However, our statistical uncertainties are large at these energies and more data are needed.

Search for proton decay via p →e + π 0 and p →μ + π 0 in 0.31 megaton.years exposure of the Super-Kamiokande water Cherenkov detector

Abstract: We have searched for proton decay via p→e+π0 and p→μ+π0 using Super-Kamiokande data from April 1996 to March 2015, 0.306 megaton·years exposure in total. The atmospheric neutrino background rate in Super-Kamiokande IV is reduced to almost half that of phase I-III by tagging neutrons associated with neutrino interactions. The reach of the proton lifetime is further enhanced by introducing new signal criteria that select the decay of a proton in a hydrogen atom. No candidates were seen in the p→e+π0 search. Two candidates that passed all of the selection criteria for p→μ+π0 have been observed, but these are consistent with the expected number of background events of 0.87. Lower limits on the proton lifetime are set at τ/B(p→e+π0)>1.6×1034 years and τ/B(p→μ+π0)>7.7×1033 years at 90% confidence level.

Large-amplitude transfer motion of hydrated excess protons mapped by ultrafast 2D IR spectroscopy

Abstract: Solvation and transport of excess protons in aqueous systems play a fundamental role in acid-base chemistry and biochemical processes. We mapped ultrafast proton excursions along the proton transfer coordinate by means of two-dimensional infrared spectroscopy, both in bulk water and in a Zundel cation (H5O2)+ motif selectively prepared in acetonitrile. Electric fields from the environment and stochastic hydrogen bond motions induce fluctuations of the proton double-minimum potential. Within the lifetime of a particular hydration geometry, the proton explores a multitude of positions on a sub-100-femtosecond time scale. The proton transfer vibration is strongly damped by its 20- to 40-femtosecond population decay. Our results suggest a central role of Zundel-like geometries in aqueous proton solvation and transport.

High-Precision Measurement of the Proton's Atomic Mass.

Abstract: We report on the precise measurement of the atomic mass of a single proton with a purpose-built Penning-trap system. With a precision of 32 parts per trillion our result not only improves on the current CODATA literature value by a factor of 3, but also disagrees with it at a level of about 3 standard deviations.

Better than real: Complex-valued neural nets for MRI fingerprinting

Abstract: The task of MRI fingerprinting is to identify tissue parameters from complex-valued MRI signals. The prevalent approach is dictionary based, where a test MRI signal is compared to stored MRI signals with known tissue parameters and the most similar signals and tissue parameters retrieved. Such an approach does not scale with the number of parameters and is rather slow when the tissue parameter space is large. Our first novel contribution is to use deep learning as an efficient nonlinear inverse mapping approach. We generate synthetic (tissue, MRI) data from an MRI simulator, and use them to train a deep net to map the MRI signal to the tissue parameters directly. Our second novel contribution is to develop a complex-valued neural network with new cardioid activation functions. Our results demonstrate that complex-valued neural nets could be much more accurate than real-valued neural nets at complex-valued MRI fingerprinting.

Double-trap measurement of the proton magnetic moment at 0.3 parts per billion precision.

Abstract: Precise knowledge of the fundamental properties of the proton is essential for our understanding of atomic structure as well as for precise tests of fundamental symmetries. We report on a direct high-precision measurement of the magnetic moment μ p of the proton in units of the nuclear magneton μ N . The result, μ p = 2.79284734462 (±0.00000000082) μ N , has a fractional precision of 0.3 parts per billion, improves the previous best measurement by a factor of 11, and is consistent with the currently accepted value. This was achieved with the use of an optimized double–Penning trap technique. Provided a similar measurement of the antiproton magnetic moment can be performed, this result will enable a test of the fundamental symmetry between matter and antimatter in the baryonic sector at the 10 −10 level.

Influence of High-Energy Proton Irradiation on β-Ga2O3 Nanobelt Field-Effect Transistors

Abstract: The robust radiation resistance of wide-band gap materials is advantageous for space applications, where the high-energy particle irradiation deteriorates the performance of electronic devices. We report on the effects of proton irradiation of β-Ga2O3 nanobelts, whose energy band gap is ∼4.85 eV at room temperature. Back-gated field-effect transistor (FET) based on exfoliated quasi-two-dimensional β-Ga2O3 nanobelts were exposed to a 10 MeV proton beam. The proton-dose- and time-dependent characteristics of the radiation-damaged FETs were systematically analyzed. A 73% decrease in the field-effect mobility and a positive shift of the threshold voltage were observed after proton irradiation at a fluence of 2 × 1015 cm–2. Greater radiation-induced degradation occurs in the conductive channel of the β-Ga2O3 nanobelt than at the contact between the metal and β-Ga2O3. The on/off ratio of the exfoliated β-Ga2O3 FETs was maintained even after proton doses up to 2 × 1015 cm–2. The radiation-induced damage in the β...

Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries

Abstract: Nuclear quantum effects such as zero point energy play a critical role in computational chemistry and often are included as energetic corrections following geometry optimizations. The nuclear–electronic orbital (NEO) multicomponent density functional theory (DFT) method treats select nuclei, typically protons, quantum mechanically on the same level as the electrons. Electron–proton correlation is highly significant, and inadequate treatments lead to highly overlocalized nuclear densities. A recently developed electron–proton correlation functional, epc17, has been shown to provide accurate nuclear densities for molecular systems. Herein, the NEO-DFT/epc17 method is used to compute the proton affinities for a set of molecules and to examine the role of nuclear quantum effects on the equilibrium geometry of FHF–. The agreement of the computed results with experimental and benchmark values demonstrates the promise of this approach for including nuclear quantum effects in calculations of proton affinities, pK...

Measurement of the transverse momentum spectra of weak vector bosons produced in proton-proton collisions at √s=8 TeV

Abstract: The transverse momentum spectra of weak vector bosons are measured in the CMS experiment at the LHC. The measurement uses a sample of proton-proton collisions at sqrt(s) = 8 TeV, collected during a special low-luminosity running that corresponds to an integrated luminosity of 18.4 inverse-picobarns. The production of W bosons is studied in both electron and muon decay modes, while the production of Z bosons is studied using only the dimuon decay channel. The ratios of W- to W+ and Z to W differential cross sections are also measured. The measured differential cross sections and ratios are compared with theoretical predictions up to next-to-next leading order in QCD.

Defect Dynamics in Proton Irradiated CH3NH3PbI3 Perovskite Solar Cells

Abstract: Perovskite solar cells have been shown to be of extraordinary radiation hardness, considering high energetic (68 MeV) proton irradiation with doses up to 1013 p cm−2. In this study electrical and photoelectrical properties of perovskite solar cells with and without proton irradiation are analyzed in detail. The results reveal that proton irradiation improves the open circuit voltage, fill factor, and recombination lifetime of photogenerated charge carriers in perovskite solar cells. These enhancements are mainly a result of the lower nonradiative recombination losses in the proton irradiated devices. The proton treatment creates shallow traps, which may be associated with the proton induced point defects due to the displacements of atoms in the inorganic Pb–I framework, which act as unintentional doping sources and partially compensate deep traps originated from the photodegradation of methylammonium molecules.

The limits of the nuclear landscape explored by the relativistic continuum Hatree-Bogoliubov theory

Abstract: The ground-state properties of nuclei with 8 $\le$ Z $\le$ 120 from the proton drip line to the neutron drip line have been investigated using the relativistic continuum Hartree-Bogoliubov (RCHB) theory with the relativistic density functional PC-PK1. With the effects of the continuum included, there are totally 9035 nuclei predicted to be bound, which largely extends the existing nuclear landscapes predicted with other methods. The calculated binding energies, separation energies, neutron and proton Fermi surfaces, root-mean-square (rms) radii of neutron, proton, matter, and charge distributions, ground-state spins and parities are tabulated. The extension of the nuclear landscape obtained with RCHB is discussed in detail, in particular for the neutron-rich side, in comparison with the relativistic mean field calculations without pairing correlations and also other predicted landscapes. It is found that the coupling between the bound states and the continuum due to the pairing correlations plays an essential role in extending the nuclear landscape. The systematics of the separation energies, radii, densities, potentials and pairing energies of the RCHB calculations are also discussed. In addition, the alpha-decay energies and proton emitters based on the RCHB calculations are investigated.

Boosting laser-ion acceleration with multi-picosecond pulses

Abstract: Using one of the world most powerful laser facility, we demonstrate for the first time that high-contrast multi-picosecond pulses are advantageous for proton acceleration. By extending the pulse duration from 1.5 to 6 ps with fixed laser intensity of 1018 W cm-2, the maximum proton energy is improved more than twice (from 13 to 33 MeV). At the same time, laser-energy conversion efficiency into the MeV protons is enhanced with an order of magnitude, achieving 5% for protons above 6 MeV with the 6 ps pulse duration. The proton energies observed are discussed using a plasma expansion model newly developed that takes the electron temperature evolution beyond the ponderomotive energy in the over picoseconds interaction into account. The present results are quite encouraging for realizing ion-driven fast ignition and novel ion beamlines.

Decomposition of the Experimental Raman and Infrared Spectra of Acidic Water into Proton, Special Pair, and Counterion Contributions.

Abstract: Textbooks describe excess protons in liquid water as hydronium (H3O+) ions, although their true structure remains lively debated. To address this question, we have combined Raman and infrared (IR) multivariate curve resolution spectroscopy with ab initio molecular dynamics and anharmonic vibrational spectroscopic calculations. Our results are used to resolve, for the first time, the vibrational spectra of hydrated protons and counterions and reveal that there is little ion-pairing below 2 M. Moreover, we find that isolated excess protons are strongly IR active and nearly Raman inactive (with vibrational frequencies of ∼1500 ± 500 cm–1), while flanking water OH vibrations are both IR and Raman active (with higher frequencies of ∼2500 ± 500 cm–1). The emerging picture is consistent with Georg Zundel’s seminal work, as well as recent ultrafast dynamics studies, leading to the conclusion that protons in liquid water are primarily hydrated by two flanking water molecules, with a broad range of proton hydrogen ...

A proton density bubble in the doubly magic 34 Si nucleus

Abstract: Many properties of the atomic nucleus, such as vibra- 21 tions, rotations and incompressibility can be interpreted 22 as due to a two-component quantum liquid of protons and 23 neutrons. Electron scattering measurements on stable nu- 24 clei demonstrate that their central densities are saturated, 25 as for liquid drops. In exotic nuclei near the limits of mass 26 and charge, with large imbalances in their proton and neu- 27 tron numbers, the possibility of a depleted central density, 28 or a “bubble” structure, was discussed in a recurrent man- 29 ner since the seventies. Here we report first experimental 30 evidence that points to a depletion of the central density of protons in the short-lived nucleus 34 31 Si. The proton-toneutron density asymmetry in 34 32 Si offers the possibility to 33 place constraints on the density and isospin dependence 34 of the spin-orbit force - on which nuclear models have dis- 35 agreed for decades- and on its stabilizing effect towards 36 limits of nuclear existence

Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities.

Abstract: Multicomponent density functional theory (DFT) enables the consistent quantum mechanical treatment of both electrons and protons. A major challenge has been the design of electron-proton correlation (epc) functionals that produce even qualitatively accurate proton densities. Herein an electron-proton correlation functional, epc17, is derived analogously to the Colle-Salvetti formalism for electron correlation and is implemented within the nuclear-electronic orbital (NEO) framework. The NEO-DFT/epc17 method produces accurate proton densities efficiently and is promising for diverse applications.

IR spectral assignments for the hydrated excess proton in liquid water

Abstract: The local environmental sensitivity of infrared (IR) spectroscopy to a hydrogen-bonding structure makes it a powerful tool for investigating the structure and dynamics of excess protons in water. Although of significant interest, the line broadening that results from the ultrafast evolution of different solvated proton-water structures makes the assignment of liquid-phase IR spectra a challenging task. In this work, we apply a normal mode analysis using density functional theory of thousands of proton-water clusters taken from reactive molecular dynamics trajectories of the latest generation multistate empirical valence bond proton model (MS-EVB 3.2). These calculations are used to obtain a vibrational density of states and IR spectral density, which are decomposed on the basis of solvated proton structure and the frequency dependent mode character. Decompositions are presented on the basis of the proton sharing parameter δ, often used to distinguish Eigen and Zundel species, the stretch and bend character of the modes, the mode delocalization, and the vibrational mode symmetry. We find there is a wide distribution of vibrational frequencies spanning 1200-3000 cm-1 for every local proton configuration, with the region 2000-2600 cm-1 being mostly governed by the distorted Eigen-like configuration. We find a continuous red shift of the special-pair O⋯H+⋯O stretching frequency, and an increase in the flanking water bending intensity with decreasing δ. Also, we find that the flanking water stretch mode of the Zundel-like species is strongly mixed with the flanking water bend, and the special pair proton oscillation band is strongly coupled with the bend modes of the central H5O2+moiety.

Measurement of the beam asymmetry Σ for π0 and η photoproduction on the proton at Eγ=9 GeV

Abstract: We report measurements of the photon beam asymmetry Σ for the reactions γ - p→pπ0 and γ - p→pη from the GlueX experiment using a 9 GeV linearly polarized, tagged photon beam incident on a liquid hydrogen target in Jefferson Lab's Hall D. The asymmetries, measured as a function of the proton momentum transfer, possess greater precision than previous π0 measurements and are the first η measurements in this energy regime. The results are compared with theoretical predictions based on t-channel, quasiparticle exchange and constrain the axial-vector component of the neutral meson production mechanism in these models.

Dose-response of EBT3 radiochromic films to proton and carbon ion clinical beams.

Abstract: We investigated the dose-response of the external beam therapy 3 (EBT3) films for proton and carbon ion clinical beams, in comparison with conventional radiotherapy beams; we also measured the film response along the energy deposition-curve in water. We performed measurements at three hadrontherapy centres by delivering monoenergetic pencil beams (protons: 63-230 MeV; carbon ions: 115-400 MeV/u), at 0.4-20 Gy dose to water, in the plateau of the depth-dose curve. We also irradiated the films to clinical MV-photon and electron beams. We placed the EBT3 films in water along the whole depth-dose curve for 148.8 MeV protons and 398.9 MeV/u carbon ions, in comparison with measurements provided by a plane-parallel ionization chamber. For protons, the response of EBT3 in the plateau of the depth-dose curve is not different from that of photons, within experimental uncertainties. For carbon ions, we observed an energy dependent under-response of EBT3 film, from 16% to 29% with respect to photon beams. Moreover, we observed an under-response in the Bragg peak region of about 10% for 148.8 MeV protons and of about 42% for 398.9 MeV/u carbon ions. For proton and carbon ion clinical beams, an under-response occurs at the Bragg peak. For carbon ions, we also observed an under-response of the EBT3 in the plateau of the depth-dose curve. This effect is the highest at the lowest initial energy of the clinical beams, a phenomenon related to the corresponding higher LET in the film sensitive layer. This behavior should be properly modeled when using EBT3 films for accurate 3D dosimetry.

Development of a Practical Multicomponent Density Functional for Electron-Proton Correlation to Produce Accurate Proton Densities

Abstract: Multicomponent density functional theory (DFT) enables the consistent quantum mechanical treatment of both electrons and protons. A major challenge has been the design of electron-proton correlation functionals that produce even qualitatively accurate proton densities. Herein an electron-proton correlation functional, epc17, is derived analogously to the Colle-Salvetti formalism for electron correlation and is implemented within the nuclear-electronic orbital (NEO) framework. The NEO-DFT/epc17 method produces accurate proton densities efficiently and is promising for diverse applications.

XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction

Abstract: The M2 proton channel of influenza A is a drug target that is essential for the reproduction of the flu virus. It is also a model system for the study of selective, unidirectional proton transport across a membrane. Ordered water molecules arranged in "wires" inside the channel pore have been proposed to play a role in both the conduction of protons to the four gating His37 residues and the stabilization of multiple positive charges within the channel. To visualize the solvent in the pore of the channel at room temperature while minimizing the effects of radiation damage, data were collected to a resolution of 1.4 A using an X-ray free-electron laser (XFEL) at three different pH conditions: pH 5.5, pH 6.5, and pH 8.0. Data were collected on the Inwardopen state, which is an intermediate that accumulates at high protonation of the His37 tetrad. At pH 5.5, a continuous hydrogen-bonded network of water molecules spans the vertical length of the channel, consistent with a Grotthuss mechanism model for proton transport to the His37 tetrad. This ordered solvent at pH 5.5 could act to stabilize the positive charges that build up on the gating His37 tetrad during the proton conduction cycle. The number of ordered pore waters decreases at pH 6.5 and 8.0, where the Inwardopen state is less stable. These studies provide a graphical view of the response of water to a change in charge within a restricted channel environment.

Measurement of charged pion, kaon, and proton production in proton-proton collisions at √s = 13 TeV

Abstract: Transverse momentum spectra of charged pions, kaons, and protons are measured in proton-proton collisions at root s = 13 TeV with the CMS detector at the LHC. The particles, identified via their energy loss in the silicon tracker, are measured in the transverse momentum range of p(T) approximate to 0.1-1.7 GeV/c and rapidities vertical bar y vertical bar < 1. The pT spectra and integrated yields are compared to previous results at smaller ffiffiffi root s and to predictions of Monte Carlo event generators. The average pT increases with particle mass and charged particle multiplicity of the event. Comparisons with previous CMS results at root s = 0.9, 2.76, and 7 TeV show that the average pT and the ratios of hadron yields feature very similar dependences on the particle multiplicity in the event, independently of the center-of-mass energy of the pp collision.

Backbone assignment of perdeuterated proteins by solid-state NMR using proton detection and ultrafast magic-angle spinning

Abstract: Solid-state NMR (ssNMR) is a technique that allows the study of protein structure and dynamics at atomic detail. In contrast to X-ray crystallography and cryo-electron microscopy, proteins can be studied under physiological conditions-for example, in a lipid bilayer and at room temperature (0-35 °C). However, ssNMR requires considerable amounts (milligram quantities) of isotopically labeled samples. In recent years, 1H-detection of perdeuterated protein samples has been proposed as a method of alleviating the sensitivity issue. Such methods are, however, substantially more demanding to the spectroscopist, as compared with traditional 13C-detected approaches. As a guide, this protocol describes a procedure for the chemical shift assignment of the backbone atoms of proteins in the solid state by 1H-detected ssNMR. It requires a perdeuterated, uniformly 13C- and 15N-labeled protein sample with subsequent proton back-exchange to the labile sites. The sample needs to be spun at a minimum of 40 kHz in the NMR spectrometer. With a minimal set of five 3D NMR spectra, the protein backbone and some of the side-chain atoms can be completely assigned. These spectra correlate resonances within one amino acid residue and between neighboring residues; taken together, these correlations allow for complete chemical shift assignment via a 'backbone walk'. This results in a backbone chemical shift table, which is the basis for further analysis of the protein structure and/or dynamics by ssNMR. Depending on the spectral quality and complexity of the protein, data acquisition and analysis are possible within 2 months.

High repetition rate, multi-MeV proton source from cryogenic hydrogen jets

Abstract: We report on a high repetition rate proton source produced by high-intensity laser irradiation of a continuously flowing, cryogenic hydrogen jet. The proton energy spectra are recorded at 1 Hz for Draco laser powers of 6, 20, 40, and 100 TW. The source delivers ∼1013 protons/MeV/sr/min. We find that the average proton number over one minute, at energies sufficiently far from the cut-off energy, is robust to laser-target overlap and nearly constant. This work is therefore a first step towards pulsed laser-driven proton sources for time-resolved radiation damage studies and applications which require quasi-continuous doses at MeV energies.

Measurement of two-photon exchange effect by comparing elastic e±p cross sections

Abstract: [Background] The electromagnetic form factors of the proton measured by unpolarized and polarized electron scattering experiments show a significant disagreement that grows with the squared four momentum transfer ($Q^{2}$). Calculations have shown that the two measurements can be largely reconciled by accounting for the contributions of two-photon exchange (TPE). TPE effects are not typically included in the standard set of radiative corrections since theoretical calculations of the TPE effects are highly model dependent, and, until recently, no direct evidence of significant TPE effects has been observed. [Purpose] We measured the ratio of positron-proton to electron-proton elastic-scattering cross sections in order to determine the TPE contribution to elastic electron-proton scattering and thereby resolve the proton electric form factor discrepancy. [Methods] We produced a mixed simultaneous electron-positron beam in Jefferson Lab's Hall B by passing the 5.6 GeV primary electron beam through a radiator to produce a bremsstrahlung photon beam and then passing the photon beam through a convertor to produce electron/positron pairs. The mixed electron-positron (lepton) beam with useful energies from approximately 0.85 to 3.5 GeV then struck a 30-cm long liquid hydrogen (LH$_2$) target located within the CEBAF Large Acceptance Spectrometer (CLAS). By detecting both the scattered leptons and the recoiling protons we identified and reconstructed elastic scattering events and determined the incident lepton energy. A detailed description of the experiment is presented.

Separating Proton and Electron Transfer Effects in Three-Component Concerted Proton-Coupled Electron Transfer Reactions.

Abstract: Multiple-site concerted proton-electron transfer (MS-CPET) reactions were studied in a three-component system. 1-Hydroxy-2,2,6,6-tetramethylpiperidine (TEMPOH) was oxidized to the stable radical TEMPO by electron transfer to ferrocenium oxidants coupled to proton transfer to various pyridine bases. These MS-CPET reactions contrast with the usual reactivity of TEMPOH by hydrogen atom transfer (HAT) to a single e-/H+ acceptor. The three-component reactions proceed by pre-equilibrium formation of a hydrogen-bonded adduct between TEMPOH and the pyridine base, and the adduct is then oxidized by the ferrocenium in a bimolecular MS-CPET step. The second-order rate constants, measured using stopped-flow kinetic techniques, spanned 4 orders of magnitude. An advantage of this system is that the MS-CPET driving force could be independently varied by changing either the pKa of the base or the reduction potential (E°) of the oxidant. Changes in ΔG°MS-CPET from either source had the same effect on the MS-CPET rate constants, and a combined Bronsted plot of ln(kMS-CPET) vs ln(Keq) was linear with a slope of 0.46. These results imply a synchronous concerted mechanism, in which the proton and electron transfer components of the CPET process make equal contributions to the rate constants. The only outliers to the Bronsted correlation are the reactions with sterically hindered pyridines, which apparently hinder the close approach of proton donor and acceptor that facilitates MS-CPET. These three-component reactions are compared with a related HAT reaction of TEMPOH, with the 2,4,6-tri-tert-butylphenoxyl radical. The MS-CPET and HAT oxidations of TEMPOH at the same driving force occurred with similar rate constants. While this is an imperfect comparison, the data suggest that the separation of the proton and electron to different reagents does not significantly inhibit the proton-coupled electron transfer process.