[The study on the characteristics and particle densities of lightning discharge plasma].

PubMed

Wang, Jie; Yuan, Ping; Zhang, Hua-ming; Shen, Xiao-zhi

2008-09-01

According to the wavelengths, relative intensities and transition parameters of lines in cloud-to-ground lightning spectra obtained by a slit-less spectrograph in Qinghai province and Xizang municipality, and by theoretical calculations of plasma, the average temperature and electron density for individual lightning discharge channel were calculated, and then, using Saha equations, electric charge conservation equations and particle conservation equations, the particle densities of every ionized-state, the mass density, pressure and the average ionization degree were obtained. Moreover, the average ionization degree and characteristics of particle distributions in each lightning discharge channel were analyzed. Local thermodynamic equilibrium and an optically thin emitting gas were assumed in the calculations. The result shows that the characteristics of lightning discharge plasma have strong relationships with lightning intensities. For a certain return stroke channel, both temperatures and electron densities of different positions show tiny trend of falling away with increasing height along the discharge channel. Lightning channels are almost completely ionized, and the first ionized particles occupy the main station while N II has the highest particle density. On the other hand, the relative concentrations of N II and O II are near a constant in lightning channels with different intensities. Generally speaking, the more intense the lightning discharge, the higher are the values of channel temperature, electron density and relative concentrations of highly ionized particles, but the lower the concentration of the neutral atoms. After considering the Coulomb interactions between positive and negative particles in the calculations, the results of ionization energies decrease, and the particle densities of atoms and first ionized ions become low while high-ionized ions become high. At a temperature of 28000 K, the pressure of the discharge channel due to electrons, atoms and ions is about 10 atmospheric pressure, and it changes for different lightning stroke with different intensity. The mass density of channel is lower and changes from 0.01 to 0.1 compared to the mass density of air at standard temperature and pressure (STP).

Ab initio calculation of the neutron-proton mass difference

NASA Astrophysics Data System (ADS)

Borsanyi, Sz.; Durr, S.; Fodor, Z.; Hoelbling, C.; Katz, S. D.; Krieg, S.; Lellouch, L.; Lippert, T.; Portelli, A.; Szabo, K. K.; Toth, B. C.

2015-03-01

The existence and stability of atoms rely on the fact that neutrons are more massive than protons. The measured mass difference is only 0.14% of the average of the two masses. A slightly smaller or larger value would have led to a dramatically different universe. Here, we show that this difference results from the competition between electromagnetic and mass isospin breaking effects. We performed lattice quantum-chromodynamics and quantum-electrodynamics computations with four nondegenerate Wilson fermion flavors and computed the neutron-proton mass-splitting with an accuracy of 300 kilo-electron volts, which is greater than 0 by 5 standard deviations. We also determine the splittings in the Σ, Ξ, D, and Ξcc isospin multiplets, exceeding in some cases the precision of experimental measurements.

Studies on mass energy-absorption coefficients and effective atomic energy-absorption cross sections for carbohydrates

NASA Astrophysics Data System (ADS)

Ladhaf, Bibifatima M.; Pawar, Pravina P.

2015-04-01

We measured here the mass attenuation coefficients (μ/ρ) of carbohydrates, Esculine (C15H16O9), Sucrose (C12H22O11), Sorbitol (C6H14O6), D-Galactose (C6H12O6), Inositol (C6H12O6), D-Xylose (C5H10O5) covering the energy range from 122 keV up to 1330 keV photon energies by using gamma ray transmission method in a narrow beam good geometry set-up. The gamma-rays were detected using NaI(Tl) scintillation detection system with a resolution of 8.2% at 662 keV. The attenuation coefficient data were then used to obtain the total attenuation cross-section (σtot), molar extinction coefficients (ε), mass-energy absorption coefficients (μen/ρ) and effective (average) atomic energy-absorption cross section (σa,en) of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111).

PubMed

Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María; Alducin, Maite; Auerbach, Daniel J

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction ("EF") model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated "post" ("p") the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.

The ratio of molecular to atomic gas in spiral galaxies as a function of morphological type

NASA Technical Reports Server (NTRS)

Knezek, Patricia M.; Young, Judith S.

1990-01-01

In order to gain an understanding of the global processes which influence cloud and star formation in disk galaxies, it is necessary to determine the relative amounts of atomic, molecular, and ionized gas both as a function of position in galaxies and from galaxy to galaxy. With observations of the CO distributions in over 200 galaxies now completed as part of the Five College Radio Astronomy Observatory (FCRAO) Extragalactic CO Survey (Young et al. 1989), researchers are finally in a position to determine the type dependence of the molecular content of spiral galaxies, along with the ratio of molecular to atomic gas as a function of type. Do late type spirals really have more gas than early types when the molecular gas content is included. Researchers conclude that there is more than an order of magnitude decrease in the ratio of molecular to atomic gas mass as a function of morphological type from Sa-Sd; an average Sa galaxy has more molecular than atomic gas, and an average Sc has less. Therefore, the total interstellar gas mass to blue luminosity ratio, M sub gas/L sub B, increases by less than a factor of two as a function of type from Sa-Sd. The dominant effect found is that the phase of the gas in the cool interstellar medium (ISM) varies along the Hubble sequence. Researchers suggest that the more massive and centrally concentrated galaxies are able to achieve a molecular-dominated ISM through the collection of more gas in the potential. That gas may then form molecular clouds when a critical density is exceeded. The picture which these observations support is one in which the conversion of atomic gas to molecular gas is a global process which depends on large scale dynamics (cf Wyse 1986). Among interacting and merging systems, researchers find considerable scatter in the M(H2)/M(HI) ratio, with the mean ratio similar to that in the early type galaxies. The high global ratio of molecular to atomic gas could result from the removal of HI gas, the enhanced conversion of HI into H2, or both.

A one-kilogram quartz resonator as a mass standard.

PubMed

Vig, John; Howe, David

2013-02-01

The SI unit of mass, the kilogram, is defined by a single artifact, the International Prototype Kilogram. This artifact, the primary mass standard, suffers from long-term instabilities that are neither well understood nor easily monitored. A secondary mass standard consisting of a 1-kg quartz resonator in ultrahigh vacuum is proposed. The frequency stability of such a resonator is likely to be far higher than the mass stability of the primary mass standard. Moreover, the resonator would provide a link to the SI time-interval unit. When compared with a laboratory-grade atomic frequency standard or GPS time, the frequency of the resonator could be monitored, on a continuous basis, with 10(-15) precision in only a few days of averaging. It could also be coordinated, worldwide, with other resonator mass standards without the need to transport the standards.

Atomic Mass and Nuclear Binding Energy for I-131 (Iodine)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of the Supplement containing the complete sets of data of Subvolume A `Nuclei with Z = 1 - 54' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope I-131 (Iodine, atomic number Z = 53, mass number A = 131).

Atomic Mass and Nuclear Binding Energy for F-22 (Fluorine)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of the Supplement containing the complete sets of data of Subvolume A `Nuclei with Z = 1 - 54' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope F-22 (Fluorine, atomic number Z = 9, mass number A = 22).

Precise determination of cosmogenic Ne in CREU-1 quartz standard, using the Helix-MC Plus mass spectrometer

NASA Astrophysics Data System (ADS)

Hamilton, D.; Honda, M.; Zhang, X.; Phillips, D.; Matchan, E.

2017-12-01

The Helix-MC Plus multi-collector noble gas mass spectrometer at the Australian National University is uniquely equipped with three high mass resolution collectors on H2, Axial and L2 positions. Their mass resolution and mass resolving power are as high as 1,800 and 8,000, respectively. The Helix-MC Plus can totally separate 20Ne+ from 40Ar++ isobaric interference and also partially separate 21Ne+ from 20NeH+ and 22Ne+ from 12C16O2++. By adjusting collector positions, we are able to measure interference-free Ne isotope intensities and have re-determined the 21Ne abundance in air [1]. Analyses by Honda et al. [1] demonstrated that 20Ne1H contributes approximately 2% to previously determined atmospheric 21Ne values [2], and a new atmospheric 21Ne/20Ne ratio of 0.002906 was calculated. Using the Helix-MC Plus mass spectrometer, we measured Ne abundances in the CREU-1 quartz standard [3] and determined cosmogenic concentrations by subtraction of atmospheric Ne with the new atmospheric 21Ne/20Ne value. The average concentration of cosmogenic 21Ne determined from four repeated analyses is 338 ± 12 × 106 atom/g (2σ). This compares with the average concentration of 348 ± 10 × 106 atom/g (2σ) from 45 analyses determined by several laboratories [3], where Ne isotope analyses were undertaken by conventional low resolution mass spectrometers and atmospheric Ne was subtracted using the conventional atmospheric 21Ne/20Ne [2]. On this basis, for a sample with abundant cosmogenic Ne, like CREU-1 quartz, previously measured by low mass resolution mass spectrometers are likely valid and their geological implications are unaffected. However, for low 21Ne concentration samples, combining new generation of mass spectrometers as well as the new atmospheric ratio may have significance for cosmogenic 21Ne surface exposure dating. References: [1] Honda M., et. al., International Journal of Mass Spectrometry, 387, 1 (2015). [2] Eberhardt P., et. al., Zeitschrift fur Naturforschung, 20a, 623 (1965). [3] Vermeesch P., et. al., Quaternary Geochronology, 26, 20 (2015).

Complexation of Uranium by Cells and S-Layer Sheets of Bacillus sphaericus JG-A12

PubMed Central

Merroun, Mohamed L.; Raff, Johannes; Rossberg, André; Hennig, Christoph; Reich, Tobias; Selenska-Pobell, Sonja

2005-01-01

Bacillus sphaericus JG-A12 is a natural isolate recovered from a uranium mining waste pile near the town of Johanngeorgenstadt in Saxony, Germany. The cells of this strain are enveloped by a highly ordered crystalline proteinaceous surface layer (S-layer) possessing an ability to bind uranium and other heavy metals. Purified and recrystallized S-layer proteins were shown to be phosphorylated by phosphoprotein-specific staining, inductive coupled plasma mass spectrometry analysis, and a colorimetric method. We used extended X-ray absorption fine-structure (EXAFS) spectroscopy to determine the structural parameters of the uranium complexes formed by purified and recrystallized S-layer sheets of B. sphaericus JG-A12. In addition, we investigated the complexation of uranium by the vegetative bacterial cells. The EXAFS analysis demonstrated that in all samples studied, the U(VI) is coordinated to carboxyl groups in a bidentate fashion with an average distance between the U atom and the C atom of 2.88 ± 0.02 Å and to phosphate groups in a monodentate fashion with an average distance between the U atom and the P atom of 3.62 ± 0.02 Å. Transmission electron microscopy showed that the uranium accumulated by the cells of this strain is located in dense deposits at the cell surface. PMID:16151146

Atomic Mass and Nuclear Binding Energy for U-287 (Uranium)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope U-287 (Uranium, atomic number Z = 92, mass number A = 287).

Atomic Mass and Nuclear Binding Energy for Ac-212 (Actinium)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Ac-212 (Actinium, atomic number Z = 89, mass number A = 212).

Geochemistry of CI chondrites: Major and trace elements, and Cu and Zn Isotopes

NASA Astrophysics Data System (ADS)

Barrat, J. A.; Zanda, B.; Moynier, F.; Bollinger, C.; Liorzou, C.; Bayon, G.

2012-04-01

In order to check the heterogeneity of the CI chondrites and determine the average composition of this group of meteorites, we analyzed a series of six large chips (weighing between 0.6 and 1.2 g) of Orgueil prepared from five different stones. In addition, one sample from each of Ivuna and Alais was analyzed. Although the sizes of the chips used in this study were “large”, our results show evidence for minor chemical heterogeneity in Orgueil, particularly for alkali elements and U. After removal of one outlier sample, the spread of the results is considerably reduced. For most of the 46 elements analyzed in this study, the average composition calculated for Orgueil is in very good agreement with previous CI estimates. This average, obtained with a “large” mass of samples, is analytically homogeneous and is suitable for normalization purposes. Finally, the Cu and Zn isotopic ratios are homogeneously distributed within the CI parent body with a spread of less than 100 ppm per atomic mass unit (amu).

A new baryonic equation of state at sub-nuclear densities for core-collapse simulations

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Yamada, Shoichi; Sumiyoshi, Kohsuke; Suzuki, Hideyuki

2012-11-01

We construct a new equation of state for baryons at sub-nuclear densities for the use in core-collapse simulations of massive stars. The formulation is based on the nuclear statistical equilibrium description and the liquid drop approximation of nuclei. The model free energy to minimize is calculated by using relativistic mean field theory for nucleons and the mass formula for nuclei with atomic number up to ~ 1000. We have also taken into account the pasta phase. We find that the free energy and other thermodynamical quantities are not very different from those given in the standard EOSs that adopt the single nucleus approximation. On the other hand, the average mass is systematically different, which may have an important effect to the rates of electron captures and coherent neutrino scatterings on nuclei in supernova cores. It is also interesting that the root mean square of the mass number is not very different from the average mass number, since the former is important for the evaluation of coherent scattering rates on nuclei but has been unavailable so far.

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kroes, Geert-Jan, E-mail: g.j.kroes@chem.leidenuniv.nl; Pavanello, Michele; Blanco-Rey, María

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of themore » incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction (“EF”) model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated “post” (“p”) the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.« less

Pulsed source of energetic atomic oxygen

NASA Technical Reports Server (NTRS)

Caledonia, George E.; Krech, Robert H.

1987-01-01

A pulsed high flux source of nearly monoenergetic atomic oxygen was designed, built, and successfully demonstrated. Molecular oxygen at several atmospheres pressure is introduced into an evacuated supersonic expansion nozzle through a pulsed molecular beam valve. An 18 J pulsed CO2 TEA laser is focused to intensities greater than 10(9) W/sq cm in the nozzle throat to generate a laser-induced breakdown. The resulting plasma is heated in excess of 20,000 K by a laser supported detonation wave, and then rapidly expands and cools. Nozzle geometry confines the expansion to provide rapid electron-ion recombination into atomic oxygen. Average O atom beam velocities from 5 to 13 km/s were measured at estimated fluxes to 10(18) atoms per pulse. Preliminary materials testing has produced the same surface oxygen enrichment in polyethylene samples as obtained on the STS-8 mission. Scanning electron microscope examinations of irradiated polymer surfaces reveal an erosion morphology similar to that obtained in low Earth orbit, with an estimated mass removal rate of approx. 10(-24) cu cm/atom. The characteristics of the O atom source and the results of some preliminary materials testing studies are reviewed.

Thomson scattering from a three-component plasma.

PubMed

Johnson, W R; Nilsen, J

2014-02-01

A model for a three-component plasma consisting of two distinct ionic species and electrons is developed and applied to study x-ray Thomson scattering. Ions of a specific type are assumed to be identical and are treated in the average-atom approximation. Given the plasma temperature and density, the model predicts mass densities, effective ionic charges, and cell volumes for each ionic type, together with the plasma chemical potential and free-electron density. Additionally, the average-atom treatment of individual ions provides a quantum-mechanical description of bound and continuum electrons. The model is used to obtain parameters needed to determine the dynamic structure factors for x-ray Thomson scattering from a three-component plasma. The contribution from inelastic scattering by free electrons is evaluated in the random-phase approximation. The contribution from inelastic scattering by bound electrons is evaluated using the bound-state and scattering wave functions obtained from the average-atom calculations. Finally, the partial static structure factors for elastic scattering by ions are evaluated using a two-component version of the Ornstein-Zernike equations with hypernetted chain closure, in which electron-ion interactions are accounted for using screened ion-ion interaction potentials. The model is used to predict the x-ray Thomson scattering spectrum from a CH plasma and the resulting spectrum is compared with experimental results obtained by Feltcher et al. [Phys. Plasmas 20, 056316 (2013)].

Nonequilibrium forces between atoms and dielectrics mediated by a quantum field

NASA Astrophysics Data System (ADS)

Behunin, Ryan O.; Hu, Bei-Lok

2011-07-01

In this paper we give a first principles microphysics derivation of the nonequilibrium forces between an atom, treated as a three-dimensional harmonic oscillator, and a bulk dielectric medium modeled as a continuous lattice of oscillators coupled to a reservoir. We assume no direct interaction between the atom and the medium but there exist mutual influences transmitted via a common electromagnetic field. By employing concepts and techniques of open quantum systems we introduce coarse-graining to the physical variables—the medium, the quantum field, and the atom’s internal degrees of freedom, in that order—to extract their averaged effects from the lowest tier progressively to the top tier. The first tier of coarse-graining provides the averaged effect of the medium upon the field, quantified by a complex permittivity (in the frequency domain) describing the response of the dielectric to the field in addition to its back action on the field through a stochastic forcing term. The last tier of coarse-graining over the atom’s internal degrees of freedom results in an equation of motion for the atom’s center of mass from which we can derive the force on the atom. Our nonequilibrium formulation provides a fully dynamical description of the atom’s motion including back-action effects from all other relevant variables concerned. In the long-time limit we recover the known results for the atom-dielectric force when the combined system is in equilibrium or in a nonequilibrium stationary state.

MISSE 2 PEACE Polymers Experiment Atomic Oxygen Erosion Yield Error Analysis

NASA Technical Reports Server (NTRS)

McCarthy, Catherine E.; Banks, Bruce A.; deGroh, Kim, K.

2010-01-01

Atomic oxygen erosion of polymers in low Earth orbit (LEO) poses a serious threat to spacecraft performance and durability. To address this, 40 different polymer samples and a sample of pyrolytic graphite, collectively called the PEACE (Polymer Erosion and Contamination Experiment) Polymers, were exposed to the LEO space environment on the exterior of the International Space Station (ISS) for nearly 4 years as part of the Materials International Space Station Experiment 1 & 2 (MISSE 1 & 2). The purpose of the PEACE Polymers experiment was to obtain accurate mass loss measurements in space to combine with ground measurements in order to accurately calculate the atomic oxygen erosion yields of a wide variety of polymeric materials exposed to the LEO space environment for a long period of time. Error calculations were performed in order to determine the accuracy of the mass measurements and therefore of the erosion yield values. The standard deviation, or error, of each factor was incorporated into the fractional uncertainty of the erosion yield for each of three different situations, depending on the post-flight weighing procedure. The resulting error calculations showed the erosion yield values to be very accurate, with an average error of 3.30 percent.

Formation of the lunar helium corona and atmosphere

NASA Technical Reports Server (NTRS)

Hodges, R. R., Jr.

1977-01-01

Helium is one of the dominant gases of the lunar atmosphere. Its presence is easily identified in data from the mass spectrometer at the Apollo 17 landing site. The major part of these data was obtained in lunar nighttime, where helium concentration reaches the maximum of its diurnal cyclic variation. The large night to day concentration ratio agrees with the basic theory of exospheric lateral transport reported by Hodges and Johnson (1968). A reasonable fraction of atmospheric helium atoms has a velocity in excess of the gravitational escape velocity. The result is a short average lifetime and a tenuous helium atmosphere. A description is presented of an investigation which shows that the atmosphere of the moon has two distinct components including low energy atoms, which are gravitationally bound in trajectories that intersect the lunar surface, and higher energy atoms, which are trapped in satellite orbits. The total helium abundance in the lunar corona is shown to be about 1.3 times 10 to the 30th power atoms.

Atomic Oxygen (ATOX) simulation of Teflon FEP and Kapton H surfaces using a high intensity, low energy, mass selected, ion beam facility

NASA Technical Reports Server (NTRS)

Vered, R.; Grossman, E.; Lempert, G. D.; Lifshitz, Y.

1994-01-01

A high intensity (greater than 10(exp 15) ions/sq cm) low energy (down to 5 eV) mass selected ion beam (MSIB) facility was used to study the effects of ATOX on two polymers commonly used for space applications (Kapton H and Teflon FEP). The polymers were exposed to O(+) and Ne(+) fluences on 10(exp 15) - 10(exp 19) ions/sq cm, using 30eV ions. A variety of analytical methods were used to analyze the eroded surfaces including: (1) atomic force microscopy (AFM) for morphology measurements; (2) total mass loss measurements using a microbalance; (3) surface chemical composition using x-ray photoelectron spectroscopy (XPS), and (4) residual gas analysis (RGA) of the released gases during bombardment. The relative significance of the collisional and chemical degradation processes was evaluated by comparing the effects of Ne(+) and O(+) bombardment. For 30 eV ions it was found that the Kapton is eroded via chemical mechanisms while Teflon FEP is eroded via collisional mechanisms. AFM analysis was found very powerful in revealing the evolution of the damage from its initial atomic scale (roughness of approx. 1 nm) to its final microscopic scale (roughness greater than 1 micron). Both the surface morphology and the average roughness of the bombarded surfaces (averaged over 1 micron x 1 micron images by the system's computer) were determined for each sample. For 30 eV a non linear increase of the Kapton roughness with the O(+) fluence was discovered (a slow increase rate for fluences phi less than 5 x 10(exp 17) O(+)/sq cm, and a rapid increase rate for phi greater than 5 x 10(exp 17) O(+)/sq cm). Comparative studies on the same materials exposed to RF and DC oxygen plasmas indicate that the specific details of the erosion depend on the simulation facility emphasizing the advantages of the ion beam facility.

Equilibrium vortex lattices of a binary rotating atomic Bose–Einstein condensate with unequal atomic masses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Biao; Wang, Lin-Xue; Chen, Guang-Ping

We perform a detailed numerical study of the equilibrium ground-state structures of a binary rotating Bose–Einstein condensate with unequal atomic masses. Our results show that the ground-state distribution and its related vortex configurations are complex events that differ markedly depending strongly on the strength of rotation frequency, as well as on the ratio of atomic masses. We also discuss the structures and radii of the clouds, the number and the size of the core region of the vortices, as a function of the rotation frequency, and of the ratio of atomic masses, and the analytical results agree well with ourmore » numerical simulations. This work may open an alternate way in the quantum control of the binary rotating quantum gases with unequal atomic masses. - Highlights: • A binary quantum gases with unequal atomic masses is considered. • Effects of the ratio of atomic masses and rotation frequency are discussed in full parameter space. • The detailed information about both the cloud and vortices are also discussed.« less

Atomic masses 1993. The 1993 atomic mass evaluation

NASA Astrophysics Data System (ADS)

Audi, G.; Wapstra, A. H.

1993-11-01

The 1993 atomic mass evaluation by G. Audi and A.H. Wapstra is documented. The resulting data files containing recommended values of atomic masses, obtained by experiment of systematics, and related data such as reaction and separation energies are described. The data files can be obtained through online services from several nuclear data centers or on magnetic tape, free of charge.

The study of trace metal absoption using stable isotopes and mass spectrometry

NASA Astrophysics Data System (ADS)

Fennessey, P. V.; Lloyd-Kindstrand, L.; Hambidge, K. M.

1991-12-01

The absorption and excretion of zinc stable isotopes have been followed in more than 120 human subjects. The isotope enrichment determinations were made using a standard VG 7070E HF mass spectrometer. A fast atom gun (FAB) was used to form the ions from a dry residue on a pure silver probe tip. Isotope ratio measurements were found to have a precision of better than 2% (relative standard deviation) and required a sample size of 1-5 [mu]g. The average true absorption of zinc was found to be 73 ± 12% (2[sigma]) when the metal was taken in a fasting state. This absorption figure was corrected for tracer that had been absorbed and secreted into the gastrointestinal (GI) tract over the time course of the study. The average time for a majority of the stable isotope tracer to pass through the GI tract was 4.7 ± 1.9 (2[sigma]) days.

1986-87 atomic mass predictions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haustein, P.E.

A project to perform a comprehensive update of the atomic mass predictions has recently been concluded and will be published shortly in Atomic Data and Nuclear Data Tables. The project evolved from an ongoing comparison between available mass predictions and reports of newly measured masses of isotopes throughout the mass surface. These comparisons have highlighted a variety of features in current mass models which are responsible for predictions that diverge from masses determined experimentally. The need for a comprehensive update of the atomic mass predictions was therefore apparent and the project was organized and began at the last mass conferencemore » (AMCO-VII). Project participants included: Pape and Anthony; Dussel, Caurier and Zuker; Moeller and Nix; Moeller, Myers, Swiatecki and Treiner; Comay, Kelson, and Zidon; Satpathy and Nayak; Tachibana, Uno, Yamada and Yamada; Spanier and Johansson; Jaenecke and Masson; and Wapstra, Audi and Hoekstra. An overview of the new atomic mass predictions may be obtained by written request.« less

The 1986-87 atomic mass predictions

NASA Astrophysics Data System (ADS)

Haustein, P. E.

1987-12-01

A project to perform a comprehensive update of the atomic mass predictions has recently been concluded and will be published shortly in Atomic Data and Nuclear Data Tables. The project evolved from an ongoing comparison between available mass predictions and reports of newly measured masses of isotopes throughout the mass surface. These comparisons have highlighted a variety of features in current mass models which are responsible for predictions that diverge from masses determined experimentally. The need for a comprehensive update of the atomic mass predictions was therefore apparent and the project was organized and began at the last mass conference (AMCO-VII). Project participants included: Pape and Anthony; Dussel, Caurier and Zuker; Möller and Nix; Möller, Myers, Swiatecki and Treiner; Comay, Kelson, and Zidon; Satpathy and Nayak; Tachibana, Uno, Yamada and Yamada; Spanier and Johansson; Jänecke and Masson; and Wapstra, Audi and Hoekstra. An overview of the new atomic mass predictions may be obtained by written request.

Effects of the crustal magnetic fields on the Martian atmospheric ion escape rate

NASA Astrophysics Data System (ADS)

Ramstad, R.; Barbash, S.; Futaana, Y.; Nilsson, H.; Holmstrom, M.

2015-12-01

Eight years (2007-2015) of ion flux measurements from Mars Express are used to empirically investigate the influence of the Martian crustal magnetic fields on the atmospheric ion escape rate. We combine ASPERA-3/IMA (Analyzer of Space Plasmas and Energetic Atoms/Ion Mass Analyzer) measurements taken during nominal upstream solar wind and solar Extreme Ultraviolet (EUV) conditions to compute global average ion distribution functions for varying solar zenith angles (SZA) of the strongest crustal field. Escape rates are subsequently calculated from each of the average distribution functions. A statistically significant increase in escape rate is found for high dayside SZA, compared to low SZA.

Beyond-Born-Oppenheimer effects in sub-kHz-precision photoassociation spectroscopy of ytterbium atoms

NASA Astrophysics Data System (ADS)

Borkowski, Mateusz; Buchachenko, Alexei A.; Ciuryło, Roman; Julienne, Paul S.; Yamada, Hirotaka; Kikuchi, Yuu; Takahashi, Kakeru; Takasu, Yosuke; Takahashi, Yoshiro

2017-12-01

We present high-resolution two-color photoassociation spectroscopy of Bose-Einstein condensates of ytterbium atoms. The use of narrow Raman resonances and careful examination of systematic shifts enabled us to measure 13 bound-state energies for three isotopologues of the ground-state ytterbium molecule with standard uncertainties of the order of 500 Hz. The atomic interactions are modeled using an ab initio based mass-scaled Born-Oppenheimer potential whose long-range van der Waals parameters and total WKB phase are fitted to experimental data. We find that the quality of the fit of this model, of about 112.9 kHz (rms) can be significantly improved by adding the recently calculated beyond-Born-Oppenheimer (BBO) adiabatic corrections [J. J. Lutz and J. M. Hutson, J. Mol. Spectrosc. 330, 43 (2016), 10.1016/j.jms.2016.08.007] and by partially treating the nonadiabatic effects using distance-dependent reduced masses. Our BBO interaction model represents the experimental data to within about 30.2 kHz on average, which is 3.7 times better than the "reference" Born-Oppenheimer model. We calculate the s -wave scattering lengths for bosonic isotopic pairs of ytterbium atoms with error bars over two orders of magnitude smaller than previous determinations. For example, the s -wave scattering length for 174Yb is +5.55812 (50 ) nm.

Composition Studies with the Telescope Array Surface Detector

NASA Astrophysics Data System (ADS)

Kuznetsov, Mikhail; Piskunov, Maxim; Rubtsov, Grigory; Troitsky, Sergey; Zhezher, Yana

The results on ultra-high-energy cosmic-ray chemical composition based on the data from the Telescope Array surface-detector are presented. The method is based on the multivariate boosted decision tree (BDT) analysis which uses surface-detector observables. The results on average atomic mass in the energy range 1018.0-1020.0 eV are presented. A comparison with the Telescope Array hybrid results and the Pierre Auger Observatory surface detector results is shown.

Isospin splittings in the light-baryon octet from lattice QCD and QED.

PubMed

Borsanyi, Sz; Dürr, S; Fodor, Z; Frison, J; Hoelbling, C; Katz, S D; Krieg, S; Kurth, Th; Lellouch, L; Lippert, Th; Portelli, A; Ramos, A; Sastre, A; Szabo, K

2013-12-20

While electromagnetic and up-down quark mass difference effects on octet baryon masses are very small, they have important consequences. The stability of the hydrogen atom against beta decay is a prominent example. Here, we include these effects by adding them to valence quarks in a lattice QCD calculation based on Nf=2+1 simulations with five lattice spacings down to 0.054 fm, lattice sizes up to 6 fm, and average up-down quark masses all the way down to their physical value. This allows us to gain control over all systematic errors, except for the one associated with neglecting electromagnetism in the sea. We compute the octet baryon isomultiplet mass splittings, as well as the individual contributions from electromagnetism and the up-down quark mass difference. Our results for the total splittings are in good agreement with experiment.

Isospin Splittings in the Light-Baryon Octet from Lattice QCD and QED

NASA Astrophysics Data System (ADS)

Borsanyi, Sz.; Dürr, S.; Fodor, Z.; Frison, J.; Hoelbling, C.; Katz, S. D.; Krieg, S.; Kurth, Th.; Lellouch, L.; Lippert, Th.; Portelli, A.; Ramos, A.; Sastre, A.; Szabo, K.; Budapest-Marseille-Wuppertal Collaboration

2013-12-01

While electromagnetic and up-down quark mass difference effects on octet baryon masses are very small, they have important consequences. The stability of the hydrogen atom against beta decay is a prominent example. Here, we include these effects by adding them to valence quarks in a lattice QCD calculation based on Nf=2+1 simulations with five lattice spacings down to 0.054 fm, lattice sizes up to 6 fm, and average up-down quark masses all the way down to their physical value. This allows us to gain control over all systematic errors, except for the one associated with neglecting electromagnetism in the sea. We compute the octet baryon isomultiplet mass splittings, as well as the individual contributions from electromagnetism and the up-down quark mass difference. Our results for the total splittings are in good agreement with experiment.

Atomization efficiency and photon yield in laser-induced breakdown spectroscopy analysis of single nanoparticles in an optical trap

NASA Astrophysics Data System (ADS)

Purohit, Pablo; Fortes, Francisco J.; Laserna, J. Javier

2017-04-01

Laser-induced breakdown spectroscopy (LIBS) was employed for investigating the influence of particle size on the dissociation efficiency and the absolute production of photons per mass unit of airborne solid graphite spheres under single-particle regime. Particles of average diameter of 400 nm were probed and compared with 2 μm particles. Samples were first catapulted into aerosol form and then secluded in an optical trap set by a 532 nm laser. Trap stability was quantified before subjecting particles to LIBS analysis. Fine alignment of the different lines comprising the optical catapulting-optical trapping-laser-induced breakdown spectroscopy instrument and tuning of excitation parameters conditioning the LIBS signal such as fluence and acquisition delay are described in detail with the ultimate goal of acquiring clear spectroscopic data on masses as low as 75 fg. The atomization efficiency and the photon yield increase as the particle size becomes smaller. Time-resolved plasma imaging studies were conducted to elucidate the mechanisms leading to particle disintegration and excitation.

High-Precision Mass Measurement of Cu 56 and the Redirection of the r p -Process Flow

NASA Astrophysics Data System (ADS)

Valverde, A. A.; Brodeur, M.; Bollen, G.; Eibach, M.; Gulyuz, K.; Hamaker, A.; Izzo, C.; Ong, W.-J.; Puentes, D.; Redshaw, M.; Ringle, R.; Sandler, R.; Schwarz, S.; Sumithrarachchi, C. S.; Surbrook, J.; Villari, A. C. C.; Yandow, I. T.

2018-01-01

We report the mass measurement of Cu 56 , using the LEBIT 9.4 T Penning trap mass spectrometer at the National Superconducting Cyclotron Laboratory at Michigan State University. The mass of Cu 56 is critical for constraining the reaction rates of the Ni 55 (p ,γ ) Cu 56 (p ,γ ) Zn 57 (β+) Cu 57 bypass around the Ni 56 waiting point. Previous recommended mass excess values have disagreed by several hundred keV. Our new value, ME =-38 626.7 (7.1 ) keV , is a factor of 30 more precise than the extrapolated value suggested in the 2012 atomic mass evaluation [Chin. Phys. C 36, 1603 (2012), 10.1088/1674-1137/36/12/003], and more than a factor of 12 more precise than values calculated using local mass extrapolations, while agreeing with the newest 2016 atomic mass evaluation value [Chin. Phys. C 41, 030003 (2017), 10.1088/1674-1137/41/3/030003]. The new experimental average, using our new mass and the value from AME2016, is used to calculate the astrophysical Ni 55 (p ,γ ) and Cu 56 (p ,γ ) forward and reverse rates and perform reaction network calculations of the r p process. These show that the r p -process flow redirects around the Ni 56 waiting point through the Ni 55 (p ,γ ) route, allowing it to proceed to higher masses more quickly and resulting in a reduction in ashes around this waiting point and an enhancement to higher-mass ashes.

Introducing a non-pixelated and fast centre of mass detector for differential phase contrast microscopy.

PubMed

Schwarzhuber, Felix; Melzl, Peter; Pöllath, Simon; Zweck, Josef

2018-06-10

With the advent of probe corrected STEM machines it became possible to probe specimens on a scale of less than 50 pm resolution. This opens completely new horizons for research, as it is e.g. possible to probe the electrostatic fields between individual rows of atoms, using differential phase contrast (DPC). However, in contrast to conventional DPC, where one deals with extended fields which can be assumed constant across the electron probe, this is not possible for sub-atomic probes in DPC. For the latter case it was shown [1,2], that the strongly inhomogeneous field distribution within the probe diameter, which usually is caused by the nuclear potentials of an atomic column, leads to a complicated intensity redistribution within the diffraction disk. The task is then to determine the intensity weighted centre of the diffraction disk pattern (frequently also called centre of mass, COM), which is proportional to the average lateral momentum gained by the average electron, transmitted through the probe diameter. In first reported measurements, the determination of this COM was achieved using a pixelated detector in combination with a software-based evaluation of the COM. This suffers from two disadvantages: first, the nowadays available pixelated detectors are still not very fast (approximately 1000 fps) and quite expensive, and second, the amount of data to be processed after acquisition is comparatively huge. In this paper we report on an alternative to a pixelated detector, which is able to directly deliver the COM of a diffraction disk's intensity distribution with frequencies up to 200 kHz. We present measurements on the sensitivity of this detector as well as first results from DPC imaging. From these results we expect the detector also to serve well in sub-atomic DPC field sensing, possibly replacing today's segmented or pixelated detectors. Copyright © 2018 Elsevier B.V. All rights reserved.

Triacylglycerols profiling in plant oils important in food industry, dietetics and cosmetics using high-performance liquid chromatography-atmospheric pressure chemical ionization mass spectrometry.

PubMed

Lísa, Miroslav; Holcapek, Michal

2008-07-11

Optimized non-aqueous reversed-phase high-performance liquid chromatography method using acetonitrile-2-propanol gradient elution and the column coupling in the total length of 45 cm has been applied for the high resolution separation of plant oils important in food industry, dietetics and cosmetics. Positive-ion atmospheric pressure chemical ionization mass spectrometry is used for the unambiguous identification and also the reliable quantitation with the response factors approach. Based on the precise determination of individual triacyglycerol concentrations, the calculation of average parameters important in the nutrition is performed, i.e. average carbon number, average double bond number, relative concentrations of essential, saturated, monounsaturated and polyunsaturated fatty acids. Results are reported in the form of both chromatographic fingerprints and tables containing relative concentrations for all triacylglycerols and fatty acids in individual samples. In total, 264 triacylglycerols consisting of 28 fatty acids with the alkyl chain length from 6 to 26 carbon atoms and 0 to 4 double bonds have been identified in 26 industrial important plant oils.

Preliminary investigation of electrothermal vaporization sample introduction for inductively coupled plasma time-of-flight mass spectrometry.

PubMed

Mahoney, P P; Ray, S J; Li, G; Hieftje, G M

1999-04-01

The coupling of an electrothermal vaporization (ETV) apparatus to an inductively coupled plasma time-of-flight mass spectrometer (ICP-TOFMS) is described. The ability of the ICP-TOFMS to produce complete elemental mass spectra at high repetition rates is experimentally demonstrated. A signal-averaging data acquisition board is employed to rapidly record complete elemental spectra throughout the vaporization stage of the ETV temperature cycle; a solution containing 34 elements is analyzed. The reduction of both molecular and atomic isobaric interferences through the temperature program of the furnace is demonstrated. Isobaric overlaps among the isotopes of cadmium, tin, and indium are resolved by exploiting differences in the vaporization characteristics of the elements. Figures of merit for the system are defined with several different data acquisition schemes capable of operating at the high repetition rate of the TOF instrument. With the use of both ion counting and a boxcar averager, the dynamic range is shown to be linear over a range of at least 6 orders of magnitude. A pair of boxcar averagers are used to measure the isotope ratio for silver with a precision of 1.9% RSD, despite a cycle-to-cycle precision of 19% RSD. Detection limits of 10-80 fg are calculated for seven elements, based upon a 10-microL injection.

Method for quantitative determination and separation of trace amounts of chemical elements in the presence of large quantities of other elements having the same atomic mass

DOEpatents

Miller, C.M.; Nogar, N.S.

1982-09-02

Photoionization via autoionizing atomic levels combined with conventional mass spectroscopy provides a technique for quantitative analysis of trace quantities of chemical elements in the presence of much larger amounts of other elements with substantially the same atomic mass. Ytterbium samples smaller than 10 ng have been detected using an ArF* excimer laser which provides the atomic ions for a time-of-flight mass spectrometer. Elemental selectivity of greater than 5:1 with respect to lutetium impurity has been obtained. Autoionization via a single photon process permits greater photon utilization efficiency because of its greater absorption cross section than bound-free transitions, while maintaining sufficient spectroscopic structure to allow significant photoionization selectivity between different atomic species. Separation of atomic species from others of substantially the same atomic mass is also described.

Overview of the 1986--1987 atomic mass predictions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haustein, P.E.

1988-07-01

The need for a comprehensive update of earlier sets of atomic mass predictions is documented. A project that grew from this need and which resulted in the preparation of the 1986--1987 Atomic Mass Predictions is summarized. Ten sets of new mass predictions and expository text from a variety of types of mass models are combined with the latest evaluation of experimentally determined atomic masses. The methodology employed in constructing these mass predictions is outlined. The models are compared with regard to their reproduction of the experimental mass surface and their use of varying numbers of adjustable parameters. Plots are presented,more » for each set of predictions, of differences between model calculations and the measured masses. These plots may be used to estimate the reliability of the new mass predictions in unmeasured regions that border the experimetally known mass surface. copyright 1988 Academic Press, Inc.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meierbachtol, K.; Tovesson, F.; Shields, D.

We developed the SPectrometer for Ion DEtermination in fission Research (SPIDER) for measuring mass yield distributions of fission products from spontaneous and neutron-induced fission. The 2E–2v method of measuring the kinetic energy (E) and velocity (v) of both outgoing fission products has been utilized, with the goal of measuring the mass of the fission products with an average resolution of 1 atomic mass unit (amu). Moreover, the SPIDER instrument, consisting of detector components for time-of-flight, trajectory, and energy measurements, has been assembled and tested using 229Th and 252Cf radioactive decay sources. For commissioning, the fully assembled system measured fission productsmore » from spontaneous fission of 252Cf. Individual measurement resolutions were met for time-of-flight (250 ps FWHM), spacial resolution (2 mm FHWM), and energy (92 keV FWHM for 8.376 MeV). Finally, these mass yield results measured from 252Cf spontaneous fission products are reported from an E–v measurement.« less

Mass effects and internal space geometry in triatomic reaction dynamics

NASA Astrophysics Data System (ADS)

Yanao, Tomohiro; Koon, Wang S.; Marsden, Jerrold E.

2006-05-01

The effect of the distribution of mass in triatomic reaction dynamics is analyzed using the geometry of the associated internal space. Atomic masses are appropriately incorporated into internal coordinates as well as the associated non-Euclidean internal space metric tensor after a separation of the rotational degrees of freedom. Because of the non-Euclidean nature of the metric in the internal space, terms such as connection coefficients arise in the internal equations of motion, which act as velocity-dependent forces in a coordinate chart. By statistically averaging these terms, an effective force field is deduced, which accounts for the statistical tendency of geodesics in the internal space. This force field is shown to play a crucial role in determining mass-related branching ratios of isomerization and dissociation dynamics of a triatomic molecule. The methodology presented can be useful for qualitatively predicting branching ratios in general triatomic reactions, and may be applied to the study of isotope effects.

Enthalpy Distributions of Arc Jet Flow Based on Measured Laser Induced Fluorescence, Heat Flux and Stagnation Pressure Distributions

NASA Technical Reports Server (NTRS)

Suess, Leonard E.; Milhoan, James D.; Oelke, Lance; Godfrey, Dennis; Larin, Maksim Y.; Scott, Carl D.; Grinstead, Jay H.; DelPapa, Steven

2011-01-01

The centerline total enthalpy of arc jet flow is determined using laser induced fluorescence of oxygen and nitrogen atoms. Each component of the energy, kinetic, thermal, and chemical can be determined from LIF measurements. Additionally, enthalpy distributions are inferred from heat flux and pressure probe distribution measurements using an engineering formula. Average enthalpies are determined by integration over the radius of the jet flow, assuming constant mass flux and a mass flux distribution estimated from computational fluid dynamics calculations at similar arc jet conditions. The trends show favorable agreement, but there is an uncertainty that relates to the multiple individual measurements and assumptions inherent in LIF measurements.

Effective coating of titania nanoparticles with alumina via atomic layer deposition

NASA Astrophysics Data System (ADS)

Azizpour, H.; Talebi, M.; Tichelaar, F. D.; Sotudeh-Gharebagh, R.; Guo, J.; van Ommen, J. R.; Mostoufi, N.

2017-12-01

Alumina films were deposited on titania nanoparticles via atomic layer deposition (ALD) in a fluidized bed reactor at 180 °C and 1 bar. Online mass spectrometry was used for real time monitoring of effluent gases from the reactor during each reaction cycle in order to determine the optimal dosing time of precursors. Different oxygen sources were used to see which oxygen source, in combination with trimethyl aluminium (TMA), provides the highest alumina growth per cycle (GPC). Experiments were carried out in 4, 7 and 10 cycles using the optimal dosing time of precursors. Several characterization methods, such as high resolution transmission electron microscopy (HRTEM), Brunauer-Emmett-Teller (BET), energy dispersive X-ray spectroscopy (EDX), Fourier transform infrared (FTIR), X-ray diffraction (XRD) and instrumental neutron activation analysis (INAA), were conducted on the products. Formation of the alumina film was confirmed by EDX mapping and EDX line profiling, FTIR and TEM. When using either water or deuterium oxide as the oxygen source, the thickness of the alumina film was greater than that of ozone. The average GPC measured by TEM for the ALD of TMA with water, deuterium oxide and ozone was about 0.16 nm, 0.15 nm and 0.11 nm, respectively. The average GPC calculated using the mass fraction of aluminum from INAA was close to those measured from TEM images. Excess amounts of precursors lead to a higher average growth of alumina film per cycle due to insufficient purging time. XRD analysis demonstrated that amorphous alumina was coated on titania nanoparticles. This amorphous layer was easily distinguished from the crystalline core in the TEM images. Decrease in the photocatalytic activity of titania nanoparticles after alumina coating was confirmed by measuring degradation of Rhodamine B by ultraviolet irradiation.

Thermal motion in proteins: Large effects on the time-averaged interaction energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goethe, Martin, E-mail: martingoethe@ub.edu; Rubi, J. Miguel; Fita, Ignacio

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothingmore » effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.« less

Thermal motion in proteins: Large effects on the time-averaged interaction energies

NASA Astrophysics Data System (ADS)

Goethe, Martin; Fita, Ignacio; Rubi, J. Miguel

2016-03-01

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothing effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.

RADIOACTIVE ELEMENTS IN THE STANDARD ATOMIC WEIGHTS TABLE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holden, N.E.; Holden, N.; Holden,N.E.

2011-07-27

In the 1949 Report of the Atomic Weights Commission, a series of new elements were added to the Atomic Weights Table. Since these elements had been produced in the laboratory and were not discovered in nature, the atomic weight value of these artificial products would depend upon the production method. Since atomic weight is a property of an element as it occurs in nature, it would be incorrect to assign an atomic weight value to that element. As a result of that discussion, the Commission decided to provide only the mass number of the most stable (or longest-lived) known isotopemore » as the number to be associated with these entries in the Atomic Weights Table. As a function of time, the mass number associated with various elements has changed as longer-lived isotopes of a particular element has been found in nature, or as improved half-life values of an element's isotopes might cause a shift in the longest-lived isotope from one mass to another. In the 1957 Report of the Atomic Weights Commission, it was decided to discontinue the listing of the mass number in the Atomic Weights Table on the grounds that the kind of information supplied by the mass number is inconsistent with the primary purpose of the Table, i.e., to provide accurate values of 'these constants' for use in various chemical calculations. In addition to the Table of Atomic Weights, the Commission included an auxiliary Table of Radioactive Elements for the first time, where the entry would be the isotope of that element which was the most stable, i.e., the one with the longest known half-life. In their 1973 Report, the Commission noted that the users of the main Table of Atomic Weights were dissatisfied with the omission of values for some elements in that Table and it was decided to reintroduce the mass number for the radioactive elements into the main Table. In their 1983 Report, the Commission decided that radioactive elements were considered to lack a characteristic terrestrial isotopic composition, from which an atomic weight value could be calculated to five or more figure accuracy, without prior knowledge of the sample involved. These elements were again listed in the Atomic Weights Table with no further information, i.e., with no mass number or atomic weight value. For the elements, which have no stable characteristic terrestrial isotopic composition, the data on the half-lives and the relative atomic masses for the nuclides of interest for those elements have been evaluated. The values of the half-lives with their uncertainties are listed in the table. The uncertainties are given for the last digit quoted of the half-life and are given in parentheses. A half-life entry for the Table having a value and an uncertainty of 7 {+-} 3 is listed in the half-life column as 7 (3). The criteria to include data in this Table, is to be the same as it has been for over sixty years. It is the same criteria, which are used for all data that are evaluated for inclusion in the Standard Table of Atomic Weights. If a report of data is published in a peer-reviewed journal, that data is evaluated and considered for inclusion in the appropriate table of the biennial report of the Atomic Weights Commission. As better data becomes available in the future, the information that is contained in either of the Tables of Standard Atomic Weights or in the Table of Radioactive Elements may be modified. It should be noted that the appearance of any datum in the Table of the Radioactive Elements is merely for the purposes of calculating an atomic mass value for any sample of a radioactive material, which might have a variety of isotopic compositions and it has no implication as to the priority for claiming discovery of a given element and is not intended to. The atomic mass values have been taken primarily from the 2003 Atomic Mass Table. Mass values for those radioisotopes that do not appear in the 2003 Atomic mass Table have been taken from preliminary data of the Atomic Mass Data Center. Most of the quoted half-lives.« less

Formation of manganese nanoclusters in a sputtering/aggregation source and the roles of individual operating parameters

NASA Astrophysics Data System (ADS)

Khojasteh, Malak; Kresin, Vitaly V.

2016-12-01

We describe the production of size selected manganese nanoclusters using a dc magnetron sputtering/aggregation source. Since nanoparticle production is sensitive to a range of overlapping operating parameters (in particular, the sputtering discharge power, the inert gas flow rates, and the aggregation length) we focus on a detailed map of the influence of each parameter on the average nanocluster size. In this way it is possible to identify the main contribution of each parameter to the physical processes taking place within the source. The discharge power and argon flow supply the atomic vapor, and argon also plays the crucial role in the formation of condensation nuclei via three-body collisions. However, neither the argon flow nor the discharge power have a strong effect on the average nanocluster size in the exiting beam. Here the defining role is played by the source residence time, which is governed by the helium supply and the aggregation path length. The size of mass selected nanoclusters was verified by atomic force microscopy of deposited particles.

Launch Vehicle Performance for Bipropellant Propulsion Using Atomic Propellants With Oxygen

NASA Technical Reports Server (NTRS)

Palaszewski, Bryan

2000-01-01

Atomic propellants for bipropellant launch vehicles using atomic boron, carbon, and hydrogen were analyzed. The gross liftoff weights (GLOW) and dry masses of the vehicles were estimated, and the 'best' design points for atomic propellants were identified. Engine performance was estimated for a wide range of oxidizer to fuel (O/F) ratios, atom loadings in the solid hydrogen particles, and amounts of helium carrier fluid. Rocket vehicle GLOW was minimized by operating at an O/F ratio of 1.0 to 3.0 for the atomic boron and carbon cases. For the atomic hydrogen cases, a minimum GLOW occurred when using the fuel as a monopropellant (O/F = 0.0). The atomic vehicle dry masses are also presented, and these data exhibit minimum values at the same or similar O/F ratios as those for the vehicle GLOW. A technology assessment of atomic propellants has shown that atomic boron and carbon rocket analyses are considered to be much more near term options than the atomic hydrogen rockets. The technology for storing atomic boron and carbon has shown significant progress, while atomic hydrogen is not able to be stored at the high densities needed for effective propulsion. The GLOW and dry mass data can be used to estimate the cost of future vehicles and their atomic propellant production facilities. The lower the propellant's mass, the lower the overall investment for the specially manufactured atomic propellants.

The dynamics of the Cl+C2H6→HCl(v',j')+C2H5 reaction at 0.24 eV: Is ethyl a spectator?

NASA Astrophysics Data System (ADS)

Bass, M. J.; Brouard, M.; Vallance, C.; Kitsopoulos, T. N.; Samartzis, P. C.; Toomes, R. L.

2003-10-01

The hydrogen atom abstraction reaction between Cl(2P3/2) and ethane has been studied at a mean collision energy of 0.24 eV. The experiments were performed in a coexpansion of molecular chlorine and ethane, with the atomic Cl reactants generated by laser photodissociation of Cl2 at 355 nm. HCl(v',j') products were detected quantum state selectively using (2+1) resonantly enhanced multiphoton ionization, coupled with velocity-map ion imaging. The ion images were used to determine center-of-mass angular and kinetic energy release distributions. Several analysis methods were employed and have been carefully assessed. It is shown that the single beam experiments can be used with confidence to determine both center-of-mass angular and energy release distributions. For the title reaction the angular distribution is found to be forward peaking, with on average 22% of the available energy channeled into internal excitation of the ethyl coproducts. Possible sources of this internal excitation are discussed.

Collisional Cooling of Light Ions by Cotrapped Heavy Atoms.

PubMed

Dutta, Sourav; Sawant, Rahul; Rangwala, S A

2017-03-17

We experimentally demonstrate cooling of trapped ions by collisions with cotrapped, higher-mass neutral atoms. It is shown that the lighter ^{39}K^{+} ions, created by ionizing ^{39}K atoms in a magneto-optical trap (MOT), when trapped in an ion trap and subsequently allowed to cool by collisions with ultracold, heavier ^{85}Rb atoms in a MOT, exhibit a longer trap lifetime than without the localized ^{85}Rb MOT atoms. A similar cooling of trapped ^{85}Rb^{+} ions by ultracold ^{133}Cs atoms in a MOT is also demonstrated in a different experimental configuration to validate this mechanism of ion cooling by localized and centered ultracold neutral atoms. Our results suggest that the cooling of ions by localized cold atoms holds for any mass ratio, thereby enabling studies on a wider class of atom-ion systems irrespective of their masses.

A simple scaling law for the equation of state and the radial distribution functions calculated by density-functional theory molecular dynamics

NASA Astrophysics Data System (ADS)

Danel, J.-F.; Kazandjian, L.

2018-06-01

It is shown that the equation of state (EOS) and the radial distribution functions obtained by density-functional theory molecular dynamics (DFT-MD) obey a simple scaling law. At given temperature, the thermodynamic properties and the radial distribution functions given by a DFT-MD simulation remain unchanged if the mole fractions of nuclei of given charge and the average volume per atom remain unchanged. A practical interest of this scaling law is to obtain an EOS table for a fluid from that already obtained for another fluid if it has the right characteristics. Another practical interest of this result is that an asymmetric mixture made up of light and heavy atoms requiring very different time steps can be replaced by a mixture of atoms of equal mass, which facilitates the exploration of the configuration space in a DFT-MD simulation. The scaling law is illustrated by numerical results.

Measuring the internal energies of species emitted from hypervelocity nanoprojectile impacts on surfaces using recalibrated benzylpyridinium probe ions

NASA Astrophysics Data System (ADS)

DeBord, J. Daniel; Verkhoturov, Stanislav V.; Perez, Lisa M.; North, Simon W.; Hall, Michael B.; Schweikert, Emile A.

2013-06-01

We present herein a framework for measuring the internal energy distributions of vibrationally excited molecular ions emitted from hypervelocity nanoprojectile impacts on organic surfaces. The experimental portion of this framework is based on the measurement of lifetime distributions of "thermometer" benzylpyridinium ions dissociated within a time of flight mass spectrometer. The theoretical component comprises re-evaluation of the fragmentation energetics of benzylpyridinium ions at the coupled-cluster singles and doubles with perturbative triples level. Vibrational frequencies for the ground and transition states of select molecules are reported, allowing for a full description of vibrational excitations of these molecules via Rice-Ramsperger-Kassel-Marcus unimolecular fragmentation theory. Ultimately, this approach is used to evaluate the internal energy distributions from the measured lifetime distributions. The average internal energies of benzylpyridinium ions measured from 440 keV Au400+4 impacts are found to be relatively low (˜0.24 eV/atom) when compared with keV atomic bombardment of surfaces (1-2 eV/atom).

Evaluation of Oxygen Interactions with Materials 3: Mission and induced environments

NASA Technical Reports Server (NTRS)

Koontz, Steven L.; Leger, Lubert J.; Rickman, Steven L.; Hakes, Charles L.; Bui, David T.; Hunton, Donald; Cross, Jon B.

1995-01-01

The Evaluation of Oxygen Interactions with Materials 3 (EOIM-3) flight experiment was developed to obtain benchmark atomic oxygen/material reactivity data. The experiment was conducted during Space Shuttle mission 46 (STS-46), which flew July 31 to August 7, 1992. Quantitative interpretation of the materials reactivity measurements requires a complete and accurate definition of the space environment exposure, including the thermal history of the payload, the solar ultraviolet exposure, the atomic oxygen fluence, and any spacecraft outgassing contamination effects. The thermal history of the payload was measured using twelve thermocouple sensors placed behind selected samples and on the EOIM-3 payload structure. The solar ultraviolet exposure history of the EOIM-3 payload was determined by analysis of the as-flown orbit and vehicle attitude combined with daily average solar ultraviolet and vacuum ultraviolet (UV/VUV) fluxes. The atomic oxygen fluence was assessed in three different ways. First, the O-atom fluence was calculated using a program that incorporates the MSIS-86 atmospheric model, the as-flown Space Shuttle trajectory, and solar activity parameters. Second, the oxygen atom fluence was estimated directly from Kapton film erosion. Third, ambient oxygen atom measurements were made using the quadrupole mass spectrometer on the EOIM-3 payload. Our best estimate of the oxygen atom fluence as of this writing is 2.3 +/- 0.3 x 10(exp 20) atoms/sq cm. Finally, results of post-flight X-ray photoelectron spectroscopy (XPS) surface analyses of selected samples indicate low levels of contamination on the payload surface.

Mass and heat transfer between evaporation and condensation surfaces: Atomistic simulation and solution of Boltzmann kinetic equation.

PubMed

Zhakhovsky, Vasily V; Kryukov, Alexei P; Levashov, Vladimir Yu; Shishkova, Irina N; Anisimov, Sergey I

2018-04-16

Boundary conditions required for numerical solution of the Boltzmann kinetic equation (BKE) for mass/heat transfer between evaporation and condensation surfaces are analyzed by comparison of BKE results with molecular dynamics (MD) simulations. Lennard-Jones potential with parameters corresponding to solid argon is used to simulate evaporation from the hot side, nonequilibrium vapor flow with a Knudsen number of about 0.02, and condensation on the cold side of the condensed phase. The equilibrium density of vapor obtained in MD simulation of phase coexistence is used in BKE calculations for consistency of BKE results with MD data. The collision cross-section is also adjusted to provide a thermal flux in vapor identical to that in MD. Our MD simulations of evaporation toward a nonreflective absorbing boundary show that the velocity distribution function (VDF) of evaporated atoms has the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase layer between bulk phase and vapor is much smaller than the cohesive energy in the condensed phase. Indeed, the calculated temperature and density profiles within the interphase layer indicate that the averaged kinetic energy of atoms remains near-constant with decreasing density almost until the interphase edge. Using consistent BKE and MD methods, the profiles of gas density, mass velocity, and temperatures together with VDFs in a gap of many mean free paths between the evaporation and condensation surfaces are obtained and compared. We demonstrate that the best fit of BKE results with MD simulations can be achieved with the evaporation and condensation coefficients both close to unity.

Feasibility of detection and identification of individual bioaerosols using laser-induced breakdown spectroscopy.

PubMed

Dixon, P B; Hahn, D W

2005-01-15

The detection and identification of individual bioaerosols using laser-induced breakdown spectroscopy (LIBS) is investigated using aerosolized Bacillus spores. Spores of Bacillus atrophaeous, Bacillus pumilus, and Bacillus stearothemophilus were introduced into an aerosol flow stream in a prescribed manner such that single-particle LIBS detection was realized. Bacillus spores were successfully detected based on the presence of the 393.4- and 396.9-nm calcium atomic emission lines. Statistical analyses based on the aerosol number density, the LIBS-based spore sampling frequency, and the distribution of the resulting calcium mass loadings support the conclusion of individual spore detection within single-shot laser-induced plasmas. The average mass loadings were in the range of 2-3 fg of calcium/Bacillus spore, which corresponds to a calcium mass percentage of approximately 0.5%. While individual spores were detected based on calcium emission, the resulting Bacillus spectra were free from CN emission bands, which has implications for the detection of elemental carbon, and LIBS-based detection of single spores based on the presence of magnesium or sodium atomic emission was unsuccessful. Based on the current instrumental setup and analyses, real-time LIBS-based detection and identification of single Bacillus spores in ambient (i.e., real life) conditions appears unfeasible.

Evaluation of a tunable bandpass reaction cell for an inductively coupled plasma mass spectrometer for the determination of chromium and vanadium in serum and urine

NASA Astrophysics Data System (ADS)

Nixon, David E.; Neubauer, Kenneth R.; Eckdahl, Steven J.; Butz, John A.; Burritt, Mary F.

2002-05-01

A Dynamic Reaction Cell™ inductively coupled argon plasma mass spectrometer (DRC-ICP-MS) was evaluated for the determination of chromium and vanadium in serum and urine. Reaction cell conditions were evaluated for the elimination of ArC + and ClOH + interferences on chromium at mass 52 and OCl + on vanadium at mass 51. A diluent containing only 1% nitric acid and internal standards (Y and Ga) was used to prepare serum and urine for analysis. Instrument response calibration was achieved by using aqueous acidic standards spiked into pooled sera or urine matrices. The slopes of the calibration curves prepared in urine and serum matrices were nearly identical. On average, chromium detection limits are 2.5 times lower using the DRC than Zeeman graphite furnace atomic absorption spectrometry (ZGFAAS). Vanadium detection limits are approximately 50 times lower. Average detection limits achieved with DRC-ICP-MS are 0.075 μg Cr/l and 0.028 μg V/l. Average results for the analysis of National Institute of Standards and Technology Standard Reference Material (NIST SRM) 1598 Bovine Serum (attained over 22 days) are: 0.14 μg Cr/l and 0.068 μg V/l. The reference concentrations for vanadium and chromium in NIST SRM 1598 are (0.06) μg V/l and 0.14±0.08 μg Cr/l, respectively. Results for chromium and vanadium determinations on ICP-MS survey samples from the Toxocologie du Quebec are equivalent to those reported by high resolution inductively coupled plasma mass spectrometry (HR-ICP-MS) for the same survey samples.

Toward the Atomic-Level Mass Analysis of Biomolecules by the Scanning Atom Probe.

PubMed

Nishikawa, Osamu; Taniguchi, Masahiro

2017-04-01

In 1994, a new type of atom probe instrument, named the scanning atom probe (SAP), was proposed. The unique feature of the SAP is the introduction of a small extraction electrode, which scans over a specimen surface and confines the high field, required for field evaporation of surface atoms in a small space, between the specimen and the electrode. Thus, the SAP does not require a sharp specimen tip. This indicates that the SAP can mass analyze the specimens which are difficult to form in a sharp tip, such as organic materials and biomolecules. Clean single wall carbon nanotubes (CNT), made by high-pressure carbon monoxide process are found to be the best substrates for biomolecules. Various amino acids and dipeptide biomolecules were successfully mass analyzed, revealing characteristic clusters formed by strongly bound atoms in the specimens. The mass analysis indicates that SAP analysis of biomolecules is not only qualitative, but also quantitative.

Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3.

PubMed

Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J L; Zhong, Ruidan; Schneeloch, John A; Liu, Tiansheng; Valla, Tonica; Tranquada, John M; Gu, Genda; Davis, J C Séamus

2015-02-03

To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a "Dirac-mass gap" in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr0.08(Bi0.1Sb0.9)1.92Te3. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship [Formula: see text] is confirmed throughout and exhibits an electron-dopant interaction energy J* = 145 meV·nm(2). These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.

Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3

PubMed Central

Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J. L.; Zhong, Ruidan; Schneeloch, John A.; Liu, Tiansheng; Valla, Tonica; Tranquada, John M.; Gu, Genda; Davis, J. C. Séamus

2015-01-01

To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a “Dirac-mass gap” in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr0.08(Bi0.1Sb0.9)1.92Te3. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship Δ(r)∝n(r) is confirmed throughout and exhibits an electron–dopant interaction energy J* = 145 meV·nm2. These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential. PMID:25605947

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taylor, Sandra D.; Liu, Jia; Arey, Bruce W.

The distribution of iron resulting from the autocatalytic interaction of aqueous Fe(II) with the hematite (001) surface was directly mapped in three dimensions (3D) for the first time, using iron isotopic labelling and atom probe tomography (APT). Analyses of the mass spectrum showed that natural abundance ratios in 56Fe-dominant hematite are recovered at depth with good accuracy, whereas at the relict interface with 57Fe(II) solution evidence for hematite growth by oxidative adsorption of Fe(II) was found. 3D reconstructions of the isotope positions along the surface normal direction showed a zone enriched in 57Fe, which was consistent with an average netmore » adsorption of 3.2 – 4.3 57Fe atoms nm–2. Statistical analyses utilizing grid-based frequency distribution analyses show a heterogeneous, non-random distribution of oxidized Fe on the (001) surface, consistent with Volmer-Weber-like island growth. The unique 3D nature of the APT data provides an unprecedented means to quantify the atomic-scale distribution of sorbed 57Fe atoms and the extent of segregation on the hematite surface. This new ability to spatially map growth on single crystal faces at the atomic scale will enable resolution to long-standing unanswered questions about the underlying mechanisms for electron and atom exchange involved in a wide variety of redox-catalyzed processes at this archetypal and broadly relevant interface.« less

β -decay Q values among the A = 50 Ti-V-Cr isobaric triplet and atomic masses of Ti 46 , 47 , 49 , 50 , V 50 , 51 , and Cr 50 , 52 – 54

DOE PAGES

Kandegedara, R. M. E. B.; Bollen, G.; Eibach, M.; ...

2017-10-20

This manuscript describes a measurement of the Q value for the highly forbidden beta-decays of 50V and the double electron capture decay of 50Cr. The Q value corresponds to the total energy released during the decay and is equivalent to the mass difference between parent and daughter atoms. This mass difference was measured using high precision Penning trap mass spectrometry with the Low Energy Beam and Ion Trap facility at the National Superconducting Cyclotron Laboratory. The Q value enters into theoretical calculations of the half-life and beta-decay spectrum for the decay, so improves these calculations. In addition the Q valuemore » corresponds to the end point energy of the beta-decay spectrum, which has been precisely measured for several highly-forbidden decays using modern low background detector techniques. Hence, our Q value measurements provide a test of systematics for these detectors. In addition, we have measured the absolute atomic masses of 46,47,49,50Ti, 50,51V, and 50,52-52Cr, providing improvements in precision by factors of up to 3. These atomic masses help to strengthen global evaluations of all atomic mass data, such as the Atomic Mass Evaluation.« less

β -decay Q values among the A = 50 Ti-V-Cr isobaric triplet and atomic masses of Ti 46 , 47 , 49 , 50 , V 50 , 51 , and Cr 50 , 52 – 54

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kandegedara, R. M. E. B.; Bollen, G.; Eibach, M.

This manuscript describes a measurement of the Q value for the highly forbidden beta-decays of 50V and the double electron capture decay of 50Cr. The Q value corresponds to the total energy released during the decay and is equivalent to the mass difference between parent and daughter atoms. This mass difference was measured using high precision Penning trap mass spectrometry with the Low Energy Beam and Ion Trap facility at the National Superconducting Cyclotron Laboratory. The Q value enters into theoretical calculations of the half-life and beta-decay spectrum for the decay, so improves these calculations. In addition the Q valuemore » corresponds to the end point energy of the beta-decay spectrum, which has been precisely measured for several highly-forbidden decays using modern low background detector techniques. Hence, our Q value measurements provide a test of systematics for these detectors. In addition, we have measured the absolute atomic masses of 46,47,49,50Ti, 50,51V, and 50,52-52Cr, providing improvements in precision by factors of up to 3. These atomic masses help to strengthen global evaluations of all atomic mass data, such as the Atomic Mass Evaluation.« less

Measuring and engineering the atomic mass density wave of a Gaussian mass-polariton pulse in optical fibers

NASA Astrophysics Data System (ADS)

Partanen, Mikko; Tulkki, Jukka

2018-02-01

Conventional theories of electromagnetic waves in a medium assume that only the energy of the field propagates inside the medium. Consequently, they neglect the transport of mass density by the medium atoms. We have recently presented foundations of a covariant theory of light propagation in a nondispersive medium by considering a light wave simultaneously with the dynamics of the medium atoms driven by optoelastic forces [Phys. Rev. A 95, 063850 (2017)]. In particular, we have shown that the mass is transferred by an atomic mass density wave (MDW), which gives rise to mass-polariton (MP) quasiparticles, i.e., covariant coupled states of the field and matter having a nonzero rest mass. Another key observation of the mass-polariton theory of light is that, in common semiconductors, most of the momentum of light is transferred by moving atoms, e.g., 92% in the case of silicon. In this work, we generalize the MP theory of light for dispersive media and consider experimental measurement of the mass transferred by the MDW atoms when an intense light pulse propagates in a silicon fiber. In particular, we consider optimal intensity and time dependence of a Gaussian pulse and account for the breakdown threshold irradiance of the material. The optical shock wave property of the MDW, which propagates with the velocity of light instead of the velocity of sound, prompts for engineering of novel device concepts like very high frequency mechanical oscillators not limited by the acoustic cutoff frequency.

Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption

NASA Astrophysics Data System (ADS)

Dorenkamp, Yvonne; Jiang, Hongyan; Köckert, Hansjochen; Hertl, Nils; Kammler, Marvin; Janke, Svenja M.; Kandratsenka, Alexander; Wodtke, Alec M.; Bünermann, Oliver

2018-01-01

Inelastic scattering of H and D atoms from the (111) surfaces of six fcc transition metals (Au, Pt, Ag, Pd, Cu, and Ni) was investigated, and in each case, excitation of electron-hole pairs dominates the inelasticity. The results are very similar for all six metals. Differences in the average kinetic energy losses between metals can mainly be attributed to different efficiencies in the coupling to phonons due to the different masses of the metal atoms. The experimental observations can be reproduced by molecular dynamics simulations based on full-dimensional potential energy surfaces and including electronic excitations by using electronic friction in the local density friction approximation. The determining factors for the energy loss are the electron density at the surface, which is similar for all six metals, and the mass ratio between the impinging atoms and the surface atoms. Details of the electronic structure of the metal do not play a significant role. The experimentally validated simulations are used to explore sticking over a wide range of incidence conditions. We find that the sticking probability increases for H and D collisions near normal incidence—consistent with a previously reported penetration-resurfacing mechanism. The sticking probability for H or D on any of these metals may be represented as a simple function of the incidence energy, Ein, metal atom mass, M, and incidence angle, 𝜗i n. S =(S0+a ṡEi n+b ṡM ) *(1 -h (𝜗i n-c ) (1 -cos(𝜗 i n-c ) d ṡh (Ei n-e ) (Ei n-e ) ) ) , where h is the Heaviside step function and for H, S0 = 1.081, a = -0.125 eV-1, b =-8.40 ṡ1 0-4 u-1, c = 28.88°, d = 1.166 eV-1, and e = 0.442 eV; whereas for D, S0 = 1.120, a = -0.124 eV-1, b =-1.20 ṡ1 0-3 u-1, c = 28.62°, d = 1.196 eV-1, and e = 0.474 eV.

Photodissociation and caging of HBr and HI molecules on the surface of large rare gas clusters.

PubMed

Baumfalk, R; Nahler, N H; Buck, U

2001-01-01

Photodissociation experiments were carried out at a wavelength of 243 nm for single HBr and HI molecules adsorbed on the surface of large Nen, Arn, Krn and Xen clusters. The average size is about = 130; the size ranges = 62-139 for the system HBr-Arn and = 110-830 for HI-Xen were covered. In this way the dependence of the photodissociation dynamics on both the size and the rare gas host cluster was investigated. The main observable is the kinetic energy distribution of the outgoing H atoms. The key results are that we do not find any size dependence for either system but that we observe a strong dependence on the rare gas clusters. All systems exhibit H atoms with no energy loss that indicate direct cage exit and those with nearly zero energy that are an indication of complete caging. The intensity ratio of caged to uncaged H atoms is largest for Nen, decreases with increasing mass of the cage atoms, and is weakest for Xen. On the basis of accompanying calculations this behaviour is attributed to the large amplitude motion of the light H atom. This leads to direct cage exit and penetration of the atom through the cluster with different energy transfer per collision depending on the rare gas atoms. The differences between HBr and HI molecules are attributed to different surface states, a flat and an encapsulated site.

Mass defect effects in atomic clocks

NASA Astrophysics Data System (ADS)

Yudin, Valeriy; Taichenachev, Alexey

2018-03-01

We consider some implications of the mass defect on the frequency of atomic transitions. We have found that some well-known frequency shifts (the gravitational shift and motion-induced shifts such as quadratic Doppler and micromotion shifts) can be interpreted as consequences of the mass defect in quantum atomic physics, i.e. without the need for the concept of time dilation used in special and general relativity theories. Moreover, we show that the inclusion of the mass defect leads to previously unknown shifts for clocks based on trapped ions.

Temporal and spatial distribution of metallic species in the upper atmosphere

NASA Astrophysics Data System (ADS)

Correira, John Thomas

2009-06-01

Every day the Earth is bombarded by approximately 100 tons of meteoric material. Much of this material is completely ablated on atmospheric entry, resulting in a layer of atomic metals in the upper atmosphere between 70 km - 150 km. These neutral atoms are ionized by solar radiation and charge exchange. Metal ions have a long lifetime against recombination loss, allowing them to be redistributed globally by electromagnetic forces, especially when lifted to altitudes >150 km. UV radiances from the Global Ozone Monitoring Experiment (GOME) spectrometer are used to determine long-term dayside variations of the total vertical column density below 795 km of the meteoric metal species Mg and Mg + in the upper atmosphere. A retrieval algorithm developed to determine magnesium column densities was applied to all available data from the years 1996-2001. Long term results show middle latitude dayside Mg + peaks in vertical content during the summer, while neutral Mg demonstrates a much more subtle maximum in summer. Atmospheric metal concentrations do not correlate strongly solar activity. An analysis of spatial variations shows geospatial distributions are patchy, with local regions of increased column density. To study short term variations and the role of meteor showers a time dependent mass flux rate is calculated using published estimates of meteor stream mass densities and activity profiles. An average daily mass flux rate is also calculated and used as a baseline against which shower mass flux rates are compared. These theoretical mass flux rates are then compared with GOME derived metal column densities. There appears to be little correlation between modeled meteor shower mass flux rates and changes in the observed neutral magnesium and Mg + metal column densities.

The SPIDER fission fragment spectrometer for fission product yield measurements

DOE PAGES

Meierbachtol, K.; Tovesson, F.; Shields, D.; ...

2015-04-01

We developed the SPectrometer for Ion DEtermination in fission Research (SPIDER) for measuring mass yield distributions of fission products from spontaneous and neutron-induced fission. The 2E–2v method of measuring the kinetic energy (E) and velocity (v) of both outgoing fission products has been utilized, with the goal of measuring the mass of the fission products with an average resolution of 1 atomic mass unit (amu). Moreover, the SPIDER instrument, consisting of detector components for time-of-flight, trajectory, and energy measurements, has been assembled and tested using 229Th and 252Cf radioactive decay sources. For commissioning, the fully assembled system measured fission productsmore » from spontaneous fission of 252Cf. Individual measurement resolutions were met for time-of-flight (250 ps FWHM), spacial resolution (2 mm FHWM), and energy (92 keV FWHM for 8.376 MeV). Finally, these mass yield results measured from 252Cf spontaneous fission products are reported from an E–v measurement.« less

The Use of Gas Chromatography and Mass Spectrometry to Introduce General Chemistry Students to Percent Mass and Atomic Mass Calculations

ERIC Educational Resources Information Center

Pfennig, Brian W.; Schaefer, Amy K.

2011-01-01

A general chemistry laboratory experiment is described that introduces students to instrumental analysis using gas chromatography-mass spectrometry (GC-MS), while simultaneously reinforcing the concepts of mass percent and the calculation of atomic mass. Working in small groups, students use the GC to separate and quantify the percent composition…

Thomson scattering in the average-atom approximation.

PubMed

Johnson, W R; Nilsen, J; Cheng, K T

2012-09-01

The average-atom model is applied to study Thomson scattering of x-rays from warm dense matter with emphasis on scattering by bound electrons. Parameters needed to evaluate the dynamic structure function (chemical potential, average ionic charge, free electron density, bound and continuum wave functions, and occupation numbers) are obtained from the average-atom model. The resulting analysis provides a relatively simple diagnostic for use in connection with x-ray scattering measurements. Applications are given to dense hydrogen, beryllium, aluminum, and titanium plasmas. In the case of titanium, bound states are predicted to modify the spectrum significantly.

ITFITS model for vibration--translation energy partitioning in atom-- polyatomic molecule collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shobatake, K.; Rice, S.A.; Lee, Y.T.

1973-09-01

A model for vibration-translation energy partitioning in the collinear collision of an atom and an axially symmetric polyatonaic molecule is proposed. The model is based on an extension of the ideas of Mahan and Heidrich, Wilson, and Rapp. Comparison of energy transfers computed from classical trajesctory calculations and the model proposed indicate good agreement when the mass of the free atom is small relative to the mass of the bound atom it strikes. The agreement is less satisfactory when that mass ratio becomes large. (auth)

Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Cr x(Bi 0.1Sb 0.9) 2-xTe 3

DOE PAGES

Lee, Inhee; Kim, Chung Koo; Lee, Jinho; ...

2015-01-20

To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a “Dirac-mass gap” in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in themore » ferromagnetic TI Cr₀.₀₈(Bi₀.₁Sb₀.₉)₁.₉₂Te₃. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship Δ(r)∝n(r) is confirmed throughout and exhibits an electron–dopant interaction energy J* = 145 meV·nm². In addition, these observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.« less

Spontaneous emission and atomic line shift in causal perturbation theory

NASA Astrophysics Data System (ADS)

Marzlin, Karl-Peter; Fitzgerald, Bryce

2018-04-01

We derive a spontaneous emission rate and line shift for two-level atoms coupled to the radiation field using causal perturbation theory. In this approach, employing the theory of distribution splitting prevents the occurrence of divergent integrals. Our method confirms the result for an atomic decay rate but suggests that the cutoff frequency for the atomic line shift is determined by the atomic mass, rather than the Bohr radius or electron mass.

Atomic weights of the elements--Review 2000 (IUPAC Technical Report)

USGS Publications Warehouse

de Laeter, John R.; Böhlke, John Karl; De Bièvre, P.; Hidaka, H.; Peiser, H.S.; Rosman, K.J.R.; Taylor, P.D.P.

2003-01-01

A consistent set of internationally accepted atomic weights has long been an essential aim of the scientific community because of the relevance of these values to science and technology, as well as to trade and commerce subject to ethical, legal, and international standards. The standard atomic weights of the elements are regularly evaluated, recommended, and published in updated tables by the Commission on Atomic Weights and Isotopic Abundances (CAWIA) of the International Union of Pure and Applied Chemistry (IUPAC). These values are invariably associated with carefully evaluated uncertainties. Atomic weights were originally determined by mass ratio measurements coupled with an understanding of chemical stoichiometry, but are now based almost exclusively on knowledge of the isotopic composition (derived from isotope-abundance ratio measurements) and the atomic masses of the isotopes of the elements. Atomic weights and atomic masses are now scaled to a numerical value of exactly 12 for the mass of the carbon isotope of mass number 12. Technological advances in mass spectrometry and nuclear-reaction energies have enabled atomic masses to be determined with a relative uncertainty of better than 1 ×10−7 . Isotope abundances for an increasing number of elements can be measured to better than 1 ×10−3 . The excellent precision of such measurements led to the discovery that many elements, in different specimens, display significant variations in their isotope-abundance ratios, caused by a variety of natural and industrial physicochemical processes. While such variations increasingly place a constraint on the uncertainties with which some standard atomic weights can be stated, they provide numerous opportunities for investigating a range of important phenomena in physical, chemical, cosmological, biological, and industrial processes. This review reflects the current and increasing interest of science in the measured differences between source-specific and even sample-specific atomic weights. These relative comparisons can often be made with a smaller uncertainty than is achieved in the best calibrated “absolute ” (=SI-traceable) atomic-weight determinations. Accurate determinations of the atomic weights of certain elements also influence the values of fundamental constants such as the Avogadro, Faraday, and universal gas constants. This review is in two parts: the first summarizes the development of the science of atomic-weight determinations during the 20th century; the second summarizes the changes and variations that have been recognized in the values and uncertainties of atomic weights, on an element-by-element basis, in the latter part of the 20th century.

Characterization of Incidental Renal Mass With Dual-Energy CT: Diagnostic Accuracy of Effective Atomic Number Maps for Discriminating Nonenhancing Cysts From Enhancing Masses.

PubMed

Mileto, Achille; Allen, Brian C; Pietryga, Jason A; Farjat, Alfredo E; Zarzour, Jessica G; Bellini, Davide; Ebner, Lukas; Morgan, Desiree E

2017-10-01

The purpose of this study was to assess the diagnostic accuracy of effective atomic number maps reconstructed from dual-energy contrast-enhanced data for discriminating between nonenhancing renal cysts and enhancing masses. Two hundred six patients (128 men, 78 women; mean age, 64 years) underwent a CT renal mass protocol (single-energy unenhanced and dual-energy contrast-enhanced nephrographic imaging) at two different hospitals. For each set of patients, two blinded, independent observers performed measurements on effective atomic number maps from contrast-enhanced dual-energy data. Renal mass assessment on unenhanced and nephrographic images, corroborated by imaging and medical records, was the reference standard. The diagnostic accuracy of effective atomic number maps was assessed with ROC analysis. Significant differences in mean effective atomic numbers (Z eff ) were observed between nonenhancing and enhancing masses (set A, 8.19 vs 9.59 Z eff ; set B, 8.05 vs 9.19 Z eff ; sets combined, 8.13 vs 9.37 Z eff ) (p < 0.0001). An effective atomic number value of 8.36 Z eff was the optimal threshold, rendering an AUC of 0.92 (95% CI, 0.89-0.94), sensitivity of 90.8% (158/174 [95% CI, 85.5-94.7%]), specificity of 85.2% (445/522 [95% CI, 81.9-88.2%]), and overall diagnostic accuracy of 86.6% (603/696 [95% CI, 83.9-89.1%]). Nonenhancing renal cysts, including hyperattenuating cysts, can be discriminated from enhancing masses on effective atomic number maps generated from dual-energy contrast-enhanced CT data. This technique may be of clinical usefulness when a CT protocol for comprehensive assessment of renal masses is not available.

Fast Atom Bombardment Mass Spectrometry.

ERIC Educational Resources Information Center

Rinehart, Kenneth L., Jr.

1982-01-01

Discusses reactions and characteristics of fast atom bombardment (FAB) mass spectroscopy in which samples are ionized in a condensed state by bombardment with xenon or argon atoms, yielding positive/negative secondary ions. Includes applications of FAB to structural problems and considers future developments using the technique. (Author/JN)

The Scales of Time, Length, Mass, Energy, and Other Fundamental Physical Quantities in the Atomic World and the Use of Atomic Units in Quantum Mechanical Calculations

ERIC Educational Resources Information Center

Teo, Boon K.; Li, Wai-Kee

2011-01-01

This article is divided into two parts. In the first part, the atomic unit (au) system is introduced and the scales of time, space (length), and speed, as well as those of mass and energy, in the atomic world are discussed. In the second part, the utility of atomic units in quantum mechanical and spectroscopic calculations is illustrated with…

Enhanced ionization efficiency in TIMS analyses of plutonium and americium using porous ion emitters

DOE PAGES

Baruzzini, Matthew L.; Hall, Howard L.; Watrous, Matthew G.; ...

2016-12-05

Investigations of enhanced sample utilization in thermal ionization mass spectrometry (TIMS) using porous ion emitter (PIE) techniques for the analyses of trace quantities of americium and plutonium were performed. Repeat ionization efficiency (i.e., the ratio of ions detected to atoms loaded on the filament) measurements were conducted on sample sizes ranging from 10–100 pg for americium and 1–100 pg for plutonium using PIE and traditional (i.e., a single, zone-refined rhenium, flat filament ribbon with a carbon ionization enhancer) TIMS filament sources. When compared to traditional filaments, PIEs exhibited an average boost in ionization efficiency of ~550% for plutonium and ~1100%more » for americium. A maximum average efficiency of 1.09% was observed at a 1 pg plutonium sample loading using PIEs. Supplementary trials were conducted using newly developed platinum PIEs to analyze 10 pg mass loadings of plutonium. As a result, platinum PIEs exhibited an additional ~134% boost in ion yield over standard PIEs and ~736% over traditional filaments at the same sample loading level.« less

Techniques for Measuring Low Earth Orbital Atomic Oxygen Erosion of Polymers

NASA Technical Reports Server (NTRS)

deGroh, Kim K.; Banks, Bruce A.; Demko, Rikako

2002-01-01

Polymers such as polyimide Kapton and Teflon FEP (fluorinated ethylene propylene) are commonly used spacecraft materials due to their desirable properties such as flexibility, low density, and in the case of FEP, a low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low Earth orbit (LEO) environment are exposed to energetic atomic oxygen. Atomic oxygen reaction with polymers causes erosion, which is a threat to spacecraft durability. It is therefore important to understand the atomic oxygen erosion yield (E, the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. The most common technique for determining E is through mass loss measurements. For limited duration exposure experiments, such as shuttle experiments, where the atomic oxygen fluence is often so low that mass loss measurements can not produce acceptable uncertainties, recession measurements based on atomic force microscopy analyses can be used. Equally necessary to knowing the mass loss or recession depth for determining the erosion yield of polymers is the knowledge of the atomic oxygen fluence that the polymers were exposed to in space. This paper discusses the procedures and relevant issues for mass loss and recession depth measurements for passive atomic oxygen erosion yield characterization of polymers, along with techniques for active atomic oxygen fluence and erosion characterization. One active atomic oxygen erosion technique discussed is a new technique based on optical measurements. Details including the use of both semi-transparent and opaque polymers for active erosion measurement are reviewed.

Molecular Basis for Structural Heterogeneity of an Intrinsically Disordered Protein Bound to a Partner by Combined ESI-IM-MS and Modeling

NASA Astrophysics Data System (ADS)

D'Urzo, Annalisa; Konijnenberg, Albert; Rossetti, Giulia; Habchi, Johnny; Li, Jinyu; Carloni, Paolo; Sobott, Frank; Longhi, Sonia; Grandori, Rita

2015-03-01

Intrinsically disordered proteins (IDPs) form biologically active complexes that can retain a high degree of conformational disorder, escaping structural characterization by conventional approaches. An example is offered by the complex between the intrinsically disordered NTAIL domain and the phosphoprotein X domain (PXD) from measles virus (MeV). Here, distinct conformers of the complex are detected by electrospray ionization-mass spectrometry (ESI-MS) and ion mobility (IM) techniques yielding estimates for the solvent-accessible surface area (SASA) in solution and the average collision cross-section (CCS) in the gas phase. Computational modeling of the complex in solution, based on experimental constraints, provides atomic-resolution structural models featuring different levels of compactness. The resulting models indicate high structural heterogeneity. The intermolecular interactions are predominantly hydrophobic, not only in the ordered core of the complex, but also in the dynamic, disordered regions. Electrostatic interactions become involved in the more compact states. This system represents an illustrative example of a hydrophobic complex that could be directly detected in the gas phase by native mass spectrometry. This work represents the first attempt to modeling the entire NTAIL domain bound to PXD at atomic resolution.

Negative muon chemistry: the quantum muon effect and the finite nuclear mass effect.

PubMed

Posada, Edwin; Moncada, Félix; Reyes, Andrés

2014-10-09

The any-particle molecular orbital method at the full configuration interaction level has been employed to study atoms in which one electron has been replaced by a negative muon. In this approach electrons and muons are described as quantum waves. A scheme has been proposed to discriminate nuclear mass and quantum muon effects on chemical properties of muonic and regular atoms. This study reveals that the differences in the ionization potentials of isoelectronic muonic atoms and regular atoms are of the order of millielectronvolts. For the valence ionizations of muonic helium and muonic lithium the nuclear mass effects are more important. On the other hand, for 1s ionizations of muonic atoms heavier than beryllium, the quantum muon effects are more important. In addition, this study presents an assessment of the nuclear mass and quantum muon effects on the barrier of Heμ + H2 reaction.

Ferromagnetic order in diamond-like carbon films by Co implantation

NASA Astrophysics Data System (ADS)

Gupta, Prasanth; Williams, Grant; Markwitz, Andreas

2016-02-01

We report the observation of ferromagnetic order in diamond-like carbon (DLC) films made by mass selective ion beam deposition and after low energy implantation with Co ions. Different Co fluences were studied with a peak concentration of up to 25% at an average Co implantation depth of 30 nm. The saturation moment per Co atom (0.2-0.3 μ B) was found to be strongly dependent on temperature and it was significantly lower than that reported in bulk cobalt or cobalt nanoparticles (1.67 μ B per Co atom). The observed magnetic moment cannot be attributed to ferromagnetic nanoparticles as no evidence for superparamagnetism was detected. The magnetic order observed may be due to Co bonding in DLC possibly leading to dilute ferromagnetic semiconductor behaviour with an inhomogeneous distribution of cobalt atoms. Raman spectroscopy measurements showed that Co implantation resulted in an increase in the sp2 clustering with increasing Co fluence. Thus, our results show that Co implantation into DLC films increases the graphitic properties of the film and leads to magnetic order at room temperature.

Mass-velocity and size-velocity distributions of ejecta cloud from shock-loaded tin surface using large scale molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Durand, Olivier; Soulard, Laurent

2015-06-01

The mass (volume and areal densities) versus velocity as well as the size versus velocity distributions of a shock-induced cloud of particles are investigated using large scale molecular dynamics (MD) simulations. A generic 3D tin crystal with a sinusoidal free surface roughness is set in contact with vacuum and shock-loaded so that it melts directly on shock. At the reflection of the shock wave onto the perturbations of the free surface, 2D sheets/jets of liquid metal are ejected. The simulations show that the distributions may be described by an analytical model based on the propagation of a fragmentation zone, from the tip of the sheets to the free surface, within which the kinetic energy of the atoms decreases as this zone comes closer to the free surface on late times. As this kinetic energy drives (i) the (self-similar) expansion of the zone once it has broken away from the sheet and (ii) the average size of the particles which result from fragmentation in the zone, the ejected mass and the average size of the particles progressively increase in the cloud as fragmentation occurs closer to the free surface. Though relative to nanometric scales, our model reproduces quantitatively experimental profiles and may help in their analysis.

Sources of plutonium to the tropical Northwest Pacific Ocean (1943-1999) identified using a natural coral archive

NASA Astrophysics Data System (ADS)

Lindahl, Patric; Asami, Ryuji; Iryu, Yasufumi; Worsfold, Paul; Keith-Roach, Miranda; Choi, Min-Seok

2011-03-01

The Pu isotopes, 239Pu and 240Pu, were determined in annually-banded skeletons of an accurately dated (1943-1999) modern coral ( Porites lobata) from Guam Island to identify historical Pu sources to the tropical Northwest Pacific Ocean. Activity concentrations of 239+240Pu and 240Pu/ 239Pu atom ratios were determined in the dated coral bands using multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS). Close-in fallout from the former US Pacific Proving Grounds (PPG) in the Marshall Islands and global fallout were identified as the two main sources. The Guam site was dominated by PPG close-in fallout in the 1950s, with an average 240Pu/ 239Pu atom ratio of 0.315 ± 0.005. In addition, a higher 240Pu/ 239Pu atom ratio (0.456 ± 0.020) was observed that could be attributed to fallout from the "Ivy Mike" thermonuclear detonation in 1952. The atom ratio decreased in the 1960s and 1970s due to increase in the global fallout with a low 240Pu/ 239Pu atom ratio (˜0.18). Recent coral bands (1981-1999) are dominated by the transport of remobilised Pu, with high 240Pu/ 239Pu atom ratios, from the Marshall Islands to Guam Island along the North Equatorial Current (NEC). This remobilised Pu was estimated to comprise 69% of the total Pu in the recent coral bands, although its contribution was variable over time.

Development of a laser system of the laboratory AVLIS complex for producing isotopes and radionuclides

NASA Astrophysics Data System (ADS)

D'yachkov, A. B.; Gorkunov, A. A.; Labozin, A. V.; Mironov, S. M.; Panchenko, V. Ya.; Firsov, V. A.; Tsvetkov, G. O.

2018-01-01

The use of atomic vapour laser isotope separation (AVLIS) for solving a number of urgent problems (formation of 177Lu radionuclides for medical applications, 63Ni radionuclides for betavoltaic power supplies and 150Nd isotope for searching for neutrinoless double β decay and neutrino mass) is considered. An efficient three-step scheme of photoionisation of neodymium atoms through the 50474-cm-1 autoionising state with radiation wavelengths of the corresponding stages of λ1 = 6289.7 Å, λ2 = 5609.4 Å and λ3 = 5972.1 Å is developed. The average saturation intensity of the autoionising transition is ˜6 W cm-2, a value consistent with the characteristics of the previously developed photoionisation schemes for lutetium and nickel. A compact laser system for the technological AVLIS complex, designed to produce radionuclides and isotopes under laboratory conditions, is developed based on the experimental results.

Comet Sugano-Saigusa-Fujikawa (1983V) - A small, puzzling comet

NASA Astrophysics Data System (ADS)

Hanner, M. S.; Newburn, R. L.; Spinrad, H.; Veeder, G. J.

1987-10-01

Spectroscopic and infrared observations of comet Sugano-Saigusa-Fujikawa (1983 V) were obtained during its close approach to the Earth on 11 - 14 June 1983. The [O I] production rates of 1.8±0.9×1026atoms/s observed on 12.3 June and 7±3.5×1026atoms/s on 13.4 June lead to derived water-production rates of 3×1027mol/s on 12 June and 1.1×1028mol/s on 13 June. The abundances of the minor species NH2, CN, C2, and C3 are unusually low relative to [O I]. The upper limit to the average nuclear radius from the infrared and visual photometry on 12 - 13 June (assuming that the entire signal came from the nucleus) is ≡370 m. The dust/gas mass ratio was <0.01 on June 12 and <0.005 on June 13.

Numeral series hidden in the distribution of atomic mass of amino acids to codon domains in the genetic code.

PubMed

Wohlin, Åsa

2015-03-21

The distribution of codons in the nearly universal genetic code is a long discussed issue. At the atomic level, the numeral series 2x(2) (x=5-0) lies behind electron shells and orbitals. Numeral series appear in formulas for spectral lines of hydrogen. The question here was if some similar scheme could be found in the genetic code. A table of 24 codons was constructed (synonyms counted as one) for 20 amino acids, four of which have two different codons. An atomic mass analysis was performed, built on common isotopes. It was found that a numeral series 5 to 0 with exponent 2/3 times 10(2) revealed detailed congruency with codon-grouped amino acid side-chains, simultaneously with the division on atom kinds, further with main 3rd base groups, backbone chains and with codon-grouped amino acids in relation to their origin from glycolysis or the citrate cycle. Hence, it is proposed that this series in a dynamic way may have guided the selection of amino acids into codon domains. Series with simpler exponents also showed noteworthy correlations with the atomic mass distribution on main codon domains; especially the 2x(2)-series times a factor 16 appeared as a conceivable underlying level, both for the atomic mass and charge distribution. Furthermore, it was found that atomic mass transformations between numeral systems, possibly interpretable as dimension degree steps, connected the atomic mass of codon bases with codon-grouped amino acids and with the exponent 2/3-series in several astonishing ways. Thus, it is suggested that they may be part of a deeper reference system. Copyright © 2015 The Author. Published by Elsevier Ltd.. All rights reserved.

Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification

PubMed Central

Liao, Quanwen; Zeng, Lingping; Liu, Zhichun; Liu, Wei

2016-01-01

Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various nanostructures, but a clear relationship between various functional groups and thermal properties of polymers remains to be established. Here, we numerically study the thermal conductivity of single-stranded carbon-chain polymers with multiple substituents of hydrogen atoms through atomic mass modification. We find that their thermal conductivity can be tuned by atomic mass modifications as revealed through molecular dynamics simulations. The simulation results suggest that heavy homogeneous substituents do not assist heat transport and trace amounts of heavy substituents can in fact hinder heat transport substantially. Our analysis indicates that carbon chain has the biggest contribution (over 80%) to the thermal conduction in single-stranded carbon-chain polymers. We further demonstrate that atomic mass modifications influence the phonon bands of bonding carbon atoms, and the discrepancies of phonon bands between carbon atoms are responsible for the remarkable drops in thermal conductivity and large thermal resistances in carbon chains. Our study provides fundamental insight into how to tailor the thermal conductivity of polymers through variable substituents. PMID:27713563

Explicit expressions of self-diffusion coefficient, shear viscosity, and the Stokes-Einstein relation for binary mixtures of Lennard-Jones liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohtori, Norikazu, E-mail: ohtori@chem.sc.niigata-u.ac.jp; Ishii, Yoshiki

Explicit expressions of the self-diffusion coefficient, D{sub i}, and shear viscosity, η{sub sv}, are presented for Lennard-Jones (LJ) binary mixtures in the liquid states along the saturated vapor line. The variables necessary for the expressions were derived from dimensional analysis of the properties: atomic mass, number density, packing fraction, temperature, and the size and energy parameters used in the LJ potential. The unknown dependence of the properties on each variable was determined by molecular dynamics (MD) calculations for an equimolar mixture of Ar and Kr at the temperature of 140 K and density of 1676 kg m{sup −3}. The scalingmore » equations obtained by multiplying all the single-variable dependences can well express D{sub i} and η{sub sv} evaluated by the MD simulation for a whole range of compositions and temperatures without any significant coupling between the variables. The equation for D{sub i} can also explain the dual atomic-mass dependence, i.e., the average-mass and the individual-mass dependence; the latter accounts for the “isotope effect” on D{sub i}. The Stokes-Einstein (SE) relation obtained from these equations is fully consistent with the SE relation for pure LJ liquids and that for infinitely dilute solutions. The main differences from the original SE relation are the presence of dependence on the individual mass and on the individual energy parameter. In addition, the packing-fraction dependence turned out to bridge another gap between the present and original SE relations as well as unifying the SE relation between pure liquids and infinitely dilute solutions.« less

An overview of the Evaluation of Oxygen Interactions with Materials 3 experiment: Space Shuttle Mission 46, July-August 1992

NASA Technical Reports Server (NTRS)

Koontz, Steven L.; Leger, Lubert J.; Visentine, James T.; Hunton, Don E.; Cross, Jon B.; Hakes, Charles L.

1995-01-01

The Evaluation of Oxygen Interactions with Materials 3 (EOIM-3) flight experiment was developed to obtain benchmark atomic oxygen reactivity data and was conducted during Space Transportation System Mission 46 (STS-46), July 31 to August 7, 1992. In this paper, we present an overview of EOIM-3 and the results of the Lyndon B. Johnson Space Center (JSC) materials reactivity and mass spectrometer/carousel experiments. Mass spectrometer calibration methods are discussed briefly, as a prelude to a detailed discussion of the mass spectrometric results produced during STS-46. Mass spectrometric measurements of ambient O-atom flux and fluence are in good agreement with the values calculated using the MSIS-86 model of the thermosphere as well as estimates based on the extent of O-atom reaction with Kapton polyimide. Mass spectrometric measurements of gaseous products formed by O-atom reaction with C(13) labeled Kapton revealed CO, CO2, H2O, NO, and NO2. Finally, by operating the mass spectrometer so as to detect naturally occurring ionospheric species, we characterized the ambient ionosphere at various times during EOIM-3 and detected the gaseous reaction products formed when ambient ions interacted with the C(13) Kapton carousel sector. By direct comparison of the results of on-orbit O-atom exposures with those conducted in ground-based laboratory systems, which provide known O-atom fluences and translational energies, we have demonstrated the strong translational energy dependence of O-atom reactions with a variety of polymers. A 'line-of-centers' reactive scattering model was shown to provide a reasonably accurate description of the translational energy dependence of polymer reactions with O atoms at high atom kinetic energies while a Beckerle-Ceyer model provided an accurate description of O-atom reactivity over a three order-of-magnitude range in translational energy and a four order-of-magnitude range in reaction efficiency. Postflight studies of the polymer samples by x-ray photoelectron spectroscopy and infrared spectroscopy demonstrate that O-atom attack is confined to the near-surface region of the sample, i.e. within 50 to 100 A of the surface.

Ultra-precise single-ion atomic mass measurements on deuterium and helium-3

NASA Astrophysics Data System (ADS)

Zafonte, S. L.; Van Dyck, R. S., Jr.

2015-04-01

The former University of Washington Penning Trap Mass Spectrometer (UW-PTMS), now located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany, was used in the decade before the move to determine new values for the deuteron atomic mass, M (2H+) = 2.013 553 212 745(40) u, and the deuterium atomic mass, M (2H) = 2.014 101 778 052(40) u, both of which are now more than an order-of-magnitude more accurate than the previous best 1994-MIT measurements of these quantities. The new value for the deuteron’s mass can then be used with the accepted 2010-CODATA proton mass and the most recent 1999-measurement of the 2.2 MeV gamma-ray binding energy of the deuteron to refine the neutron’s mass to mn = 1.008 664 916 018(435) u which has about half the uncertainty relative to the value computed using that previous 1994-MIT deuterium measurement. As a result, further improvements of mn must now come from a more accurate determination of the wavelength of this gamma ray. In this same period of time, this spectrometer has also been used to determine new values for the helion atomic mass, M (3He2+) = 3.014 932 246 668(43) u, and the neutral helium-3 atomic mass, M (3He) = 3.016 029 321 675(43) u, which are both about 60 times more accurate than the 2006-SMILETRAP measurements, but disagree with the 4.4-times less-accurate 2015-Florida-State measurements by 0.76 nu. It is expected that these helium-3 results will be used in the future 3H/3He mass ratio (to be determined by the Heidelberg, Germany version of the old UW-PTMS) in order to generate a more accurate value for the tritium atomic mass.

ATOMIC PHYSICS, AN AUTOINSTRUCTIONAL PROGRAM, VOLUME 2, SUPPLEMENT.

ERIC Educational Resources Information Center

DETERLINE, WILLIAM A.; KLAUS, DAVID J.

THE AUTOINSTRUCTIONAL MATERIALS IN THIS TEXT WERE PREPARED FOR USE IN AN EXPERIMENTAL STUDY, OFFERING SELF-TUTORING MATERIAL FOR LEARNING ATOMIC PHYSICS. THE TOPICS COVERED ARE (1) ISOTOPES AND MASS NUMBERS, (2) MEASURING ATOMIC MASS, (3) DISCOVERY OF THE NUCLEUS, (4) STRUCTURE OF THE NUCLEUS, (5) DISCOVERY OF THE NEUTRON, (6) NUCLEAR REACTIONS,…

Precise measurements of the atomic masses of silicon-28, phosphorus-31, sulfur-32, krypton-84,86, xenon-129,132,136, and the dipole moment of PH+ using single-ion and two-ion Penning trap techniques

NASA Astrophysics Data System (ADS)

Redshaw, Matthew

This dissertation describes high precision measurements of atomic masses by measuring the cyclotron frequency of ions trapped singly, or in pairs, in a precision, cryogenic Penning trap. By building on techniques developed at MIT for measuring the cyclotron frequency of single trapped ions, the atomic masses of 84,86Kr, and 129,132,136Xe have been measured to less than a part in 1010 fractional precision. By developing a new technique for measuring the cyclotron frequency ratio of a pair of simultaneously trapped ions, the atomic masses of 28Si, 31P and 32S have been measured to 2 or 3 parts in 10 11. This new technique has also been used to measure the dipole moment of PH+. During the course of these measurements, two significant, but previously unsuspected sources of systematic error were discovered, characterized and eliminated. Extensive tests for other sources of systematic error were performed and are described in detail. The mass measurements presented here provide a significant increase in precision over previous values for these masses, by factors of 3 to 700. The results have a broad range of physics applications: The mass of 136 Xe is important for searches for neutrinoless double-beta-decay; the mass of 28Si is relevant to the re-definition of the artifact kilogram in terms of an atomic mass standard; the masses of 84,86Kr, and 129,132,136Xe provide convenient reference masses for less precise mass spectrometers in diverse fields such as nuclear physics and chemistry; and the dipole moment of PH+ provides a test of molecular structure calculations.

The 2012 Atomic Mass Evaluation and the Mass Tables

DOE Office of Scientific and Technical Information (OSTI.GOV)

Audi, G., E-mail: amdc.audi@gmail.com; Wang, M.; MPI-K, D-69117 Heidelberg

The new evaluation of the Atomic Masses, Ame2012, has just been released. It represents a major step in the history of the 60 year old Atomic Mass Evaluation based on the method developed by Wapstra. This new publication includes all material available to date. Some of the policies and procedures used in our evaluation are reported, together with an illustration of one specially difficult case, the energy available for the {sup 102}Pd double-electron capture. The observation of the mass surface reveals many important new features. We illustrate this statement by the double magicity of {sup 270}Hs at N = 162more » and Z = 108.« less

Alkanes in fungal spores.

PubMed

Oró, J; Laseter, J L; Weber, D

1966-10-21

The chlamydospores of Ustilago maydis, U. nuda, and Sphacelotheca reiliana were analyzed by gas chromatography and mass spectrometry for their hydrocarbon contents. For the first time we observed that they contain paraffinic hydrocarbons; the average contents were 42, 58, and 146 parts per million, respectively. n-Alkanes having odd numbers of carbon atoms predom-inate, with carbon-chain lengths ranging from C(14) to C(37). The major alkanes are n-C(27) in U. maydis, n-C(27) and n-C(35) in U. nuda, and n-C(29) in S. reiliana. Each type of spore carried a distinctly characteristic population of hydrocarbons.

Use of deuterium labeling by high-temperature solid-state hydrogen-exchange reaction for mass spectrometric analysis of bradykinin biotransformation.

PubMed

Kopylov, Arthur T; Myasoedov, Nikolay F; Dadayan, Alexander K; Zgoda, Victor G; Medvedev, Alexei E; Zolotarev, Yurii A

2016-06-15

Studies of molecular biodegradation by mass spectrometry often require synthetic compounds labeled with stable isotopes as internal standards. However, labeling is very expensive especially when a large number of compounds are needed for analysis of biotransformation. Here we describe an approach for qualitative and quantitative analysis using bradykinin (BK) and its in vitro degradation metabolites as an example. Its novelty lies in the use of deuterated peptides which are obtained by a high-temperature solid-state exchange (HSCIE) reaction. Deuterated and native BK were analyzed by positive electrospray ionization high-resolution mass spectrometry (ESI-HRMS) using an Orbitrap Fusion mass spectrometer. High-energy collision-induced dissociation (HCD) experiments were performed on [M+H](+) and [M+2H](2+) ions in targeted-MS(2) mode with adjusted normalized HCD value. After the HSCIE reaction, each amino acid residue of the deuterated peptide contained deuterium atoms and the average degree of substitution was 5.5 atoms per the peptide molecule. The deuterated peptide demonstrated the same chromatographic mobility as the unlabeled counterpart, and lack of racemization during substitution with deuterium. Deuterium-labeled and unlabeled BKs were incubated with human plasma and their corresponding fragments BK(1-5) and BK(1-7), well known as the major metabolites, were detected. Quantitative assays demonstrated applicability of the heavy peptide for both sequencing and quantification of generated fragments. Applicability of the HSCIE deuterated peptide for analysis of routes of its degradation has been shown in in vitro experiments. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

What is the maximum mass of a Population III galaxy?

NASA Astrophysics Data System (ADS)

Visbal, Eli; Bryan, Greg L.; Haiman, Zoltán

2017-08-01

We utilize cosmological hydrodynamic simulations to study the formation of Population III (Pop III) stars in dark matter haloes exposed to strong ionizing radiation. We simulate the formation of three haloes subjected to a wide range of ionizing fluxes, and find that for high flux, ionization and photoheating can delay gas collapse and star formation up to halo masses significantly larger than the atomic cooling threshold. The threshold halo mass at which gas first collapses and cools increases with ionizing flux for intermediate values, and saturates at a value approximately an order of magnitude above the atomic cooling threshold for extremely high flux (e.g. ≈5 × 108 M⊙ at z ≈ 6). This behaviour can be understood in terms of photoheating, ionization/recombination and Ly α cooling in the pressure-supported, self-shielded gas core at the centre of the growing dark matter halo. We examine the spherically averaged radial velocity profiles of collapsing gas and find that a gas mass of up to ≈106 M⊙ can reach the central regions within 3 Myr, providing an upper limit on the amount of massive Pop III stars that can form. The ionizing radiation increases this limit by a factor of a few compared to strong Lyman-Werner radiation alone. We conclude that the bright He II 1640 Å emission recently observed from the high-redshift galaxy CR7 cannot be explained by Pop III stars alone. However, in some haloes, a sufficient number of Pop III stars may form to be detectable with future telescopes such as the James Webb Space Telescope.

Atom Interferometry in the Presence of an External Test Mass

DOE PAGES

Dubetsky, Boris; Libby, Stephen; Berman, Paul

2016-04-21

The influence of an external test mass on the phase of the signal of an atom interferometer is studied theoretically. Using traditional techniques in atom optics based on the density matrix equations in the Wigner representation, we are able to extract the various contributions to the phase of the signal associated with the classical motion of the atoms, the quantum correction to this motion resulting from atomic recoil that is produced when the atoms interact with Raman field pulses and quantum corrections to the atomic motion that occur in the time between the Raman field pulses. Thus, by increasing themore » effective wave vector associated with the Raman field pulses using modified field parameters, we can increase the sensitivity of the signal to the point where such quantum corrections can be measured. Furthermore, the expressions that are derived can be evaluated numerically to isolate the contribution to the signal from an external test mass. The regions of validity of the exact and approximate expressions are determined.« less

The Particle Adventure | What is fundamental? | Fundamental

Science.gov Websites

fundamental The atom Is the atom fundamental? Is the nucleus fundamental? Are protons and neutrons fundamental decay What is the Mechanism giving mass to fundamental particles? What is the Mechanism giving mass to fundamental particles? Part 2 How Does the Higgs Boson get its Mass? Finding the Mass of the Higgs Boson

Filtrates and Residues: Measuring the Atomic or Molecular Mass of a Gas with a Tire Gauge and a Butane Lighter Fluid Can.

ERIC Educational Resources Information Center

Bodner, George M.; Magginnis, Lenard J.

1985-01-01

Describes the use of an inexpensive apparatus (based on a butane lighter fluid can and a standard tire pressure gauge) in measuring the atomic/molecular mass of an unknown gas and in demonstrating the mass of air or the dependence of pressure on the mass of a gas. (JN)

Meta-atom cluster acoustic metamaterial with broadband negative effective mass density

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Huaijun; Zhai, Shilong; Ding, Changlin

2014-02-07

We design a resonant meta-atom cluster, via which a two-dimensional (2D) acoustic metamaterial (AM) with broadband negative effective mass density from 1560 Hz to 5580 Hz is fabricated. Experimental results confirm that there is only weak interaction among the meta-atoms in the cluster. And then the meta-atoms in the cluster independently resonate, resulting in the cluster becoming equivalent to a broadband resonance unit. Extracted effective refractive indices from reflection and transmission measurements of the 2D AM appear to be negative from 1500 Hz to 5480 Hz. The broadband negative refraction has also been demonstrated by our further experiments. We expectmore » that this meta-atom cluster AM will significantly contribute to the design of broadband negative effective mass density AM.« less

Comparison of x-ray cross sections for diagnostic and therapeutic medical physics.

PubMed

Boone, J M; Chavez, A E

1996-12-01

The purpose of this technical report is to make available an up-to-date source of attenuation coefficient data to the medical physics community, and to compare these data with other more familiar sources. Data files from Lawrence Livermore National Laboratory (in Livermore, CA) were truncated to match the needs of the medical physics community, and an interpolation routine was written to calculate a continuous set of cross sections spanning energies from 1 keV to 50 MeV. Coefficient data are available for elements Z = 1 through Z = 100. Values for mass attenuation coefficients, mass-energy-transfer coefficients, and mass-energy absorption coefficients are produced by a single computer subroutine. In addition to total interaction cross sections, the cross sections for photoelectric, Rayleigh, Compton, pair, and some triplet interactions are also produced by this single program. The coefficients were compared to the 1970 data of Storm and Israel over the energy interval from 1 to 1000 keV; for elements 10, 20, 30, 40, 50, 60, 70, and 80, the average positive difference between the Storm and Israel coefficients and the coefficients reported here are 1.4%, 2.7%, and 2.6%, for the mass attenuation, mass energy-transfer, and mass-energy absorption coefficients, respectively. The 1969 data compilation of mass attenuation coefficients from McMaster et al. were also compared with the newer LLNL data. Over the energy region from 10 keV to 1000 keV, and from elements Z = 1 to Z = 82 (inclusive), the overall average difference was 1.53% (sigma = 0.85%). While the overall average difference was small, there was larger variation (> 5%) between cross sections for some elements. In addition to coefficient data, other useful data such as the density, atomic weight, K, L1, L2, L3, M, and N edges, and numerous characteristic emission energies are output by the program, depending on a single input variable. The computer source code, written in C, can be accessed and downloaded from the World Wide Web at: http:@www.aip.org/epaps/epaps.html [E-MPHSA-23-1977].

Interpretation of atomic mass systematics in terms of the valence shells and a simple scheme for predicting masses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haustein, P.E.; Brenner, D.S.; Casten, R.F.

1988-07-01

A new semiempirical method that significantly simplifies atomic mass systematics and which provides a method for making mass predictions by linear interpolation is discussed in the context of the nuclear valence space. In certain regions complicated patterns of mass systematics in traditional plots versus Z, N, or isospin are consolidated and transformed into linear ones extending over long isotopic and isotonic sequences.

Diffusion-driven fluid dynamics in ideal gases and plasmas

NASA Astrophysics Data System (ADS)

Vold, E. L.; Yin, L.; Taitano, W.; Molvig, K.; Albright, B. J.

2018-06-01

The classical transport theory based on Chapman-Enskog methods provides self-consistent approximations for the kinetic flux of mass, heat, and momentum in a fluid limit characterized with a small Knudsen number. The species mass fluxes relative to the center of mass, or "diffusive fluxes," are expressed as functions of known gradient quantities with kinetic coefficients evaluated using similar analyses for mixtures of gases or plasma components. The sum over species of the diffusive mass fluxes is constrained to be zero in the Lagrange frame, and thus results in a non-zero molar flux leading to a pressure perturbation. At an interface between two species initially in pressure equilibrium, the pressure perturbation driven by the diffusive molar flux induces a center of mass velocity directed from the species of greater atomic mass towards the lighter atomic mass species. As the ratio of the species particle masses increases, this center of mass velocity carries an increasingly greater portion of the mass across the interface and for a particle mass ratio greater than about two, the center of mass velocity carries more mass than the gradient driven diffusion flux. Early time transients across an interface between two species in a 1D plasma regime and initially in equilibrium are compared using three methods; a fluid code with closure in a classical transport approximation, a particle in cell simulation, and an implicit Fokker-Planck solver for the particle distribution functions. The early time transient phenomenology is shown to be similar in each of the computational simulation methods, including a pressure perturbation associated with the stationary "induced" component of the center of mass velocity which decays to pressure equilibrium during diffusion. At early times, the diffusive process generates pressure and velocity waves which propagate outward from the interface and are required to maintain momentum conservation. The energy in the outgoing waves dissipates as heat in viscous regions, and it is hypothesized that these diffusion driven waves may sustain fluctuations in less viscid finite domains after reflections from the boundaries. These fluid dynamic phenomena are similar in gases or plasmas and occur in flow transients with a moderate Knudsen number. The analysis and simulation results show how the kinetic flux, represented in the fluid transport closure, directly modifies the mass averaged flow described with the Euler equations.

Direct Aqueous Photochemistry of Isoprene High-NOx Secondary Organic Aerosol

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Tran B.; Laskin, Alexander; Laskin, Julia

2012-05-17

Secondary organic aerosol (SOA) generated from the high-NOx photooxidation of isoprene was dissolved in water and irradiated with {lambda} > 290 nm light to simulate direct photolytic processing of organics in atmospheric water droplets. High-resolution mass spectrometry was used to characterize the composition at four time intervals (0, 1, 2, and 4 h). Photolysis resulted in the decomposition of high molecular weight (MW) oligomers, reducing the average length of organics by 2 carbon units. Approximately 65% by count of SOA molecules decomposed during photolysis, accompanied by the formation of new products. An average of 30 % of the organic massmore » was modified after 4 h of direct photolysis. In contrast, only a small fraction of the mass (<2 %), belonging primarily to organic nitrates, decomposed in the absence of irradiation by hydrolysis. We observed a statistically-significant increase in average O/C, decrease in H/C, and increase in N/C ratios resulting from photolysis. Furthermore, the concentration of aromatic compounds increased significantly during photolysis. Approximately 10 % of photodegraded compounds and 50 % of the photoproducts contain nitrogen. Organic nitrates and multifunctional oligomers were identified as compounds degraded by photolysis. Low-MW 0N (compounds with 0 nitrogen atoms in their structure) and 2N compounds were the dominant photoproducts. Fragmentation experiments using tandem mass spectrometry (MSn, n = 2-3) indicate that the 2N products are likely heterocyclic/aromatic and are tentatively identified as furoxans. Although the exact mechanism is unclear, these 2N heterocyclic compounds are produced by reactions between photochemically-formed aqueous NOx species and SOA organics.« less

Voyager measurements of the isotopic composition of cosmic-ray aluminum and implications for the propagation of cosmic rays

NASA Technical Reports Server (NTRS)

Lukasiak, A.; Mcdonald, F. B.; Webber, W. R.

1994-01-01

We report a new measurement of the cosmic-ray isotopic composition of aluminum in the low-energy range form 75 to 206 MeV per nucleon.This measurement was made using the high-energy telescope of the CRS experiment on the Voyager 1 and 2 spacecraft during the time period from 1977 to 1993 with an average solar modulation level about 497 MV, roughly the same as at Earth near sunspot minimum. We obtain approximately 430 Al events of which approximately 35 are Al-26 and 395 are Al-27. The Al isotopes were separated with an average mass resolution sigma of 0.35 amu. Our interpretation of the isotopic composition of cosmic-ray aluminum is based on a standard Leaky-Box model for the interstellar propagation of cosmic-ray nuclei using the latest cross sections of the New Mexico-Saclay collaboration as well as a disk-halo diffusion model. From our observed ratio Al-26/Al-27 of 8.3 +/- 2.4 % we deduce an average interstellar density of about 0.52 (+0.26, -0.2) atoms per cu cm. This density is larger than the value of 0.28 (+0.14, -0.11) atoms per cu cm we found from an analysis of the observed abundance of the longer lived Be-10 made using data from the Voyager detectors over almost the same time interval and using essentially the same propagation program.

Oxygen atom reaction with shuttle materials at orbital altitudes

NASA Technical Reports Server (NTRS)

Leger, L. J.

1982-01-01

Surfaces of materials used in the space shuttle orbiter payload bay and exposed during STS-1 through STS-3 were examined after flight. Paints and polymers, in particular Kapton used on the television camera thermal blanket, showed significant change. Generally, the change was a loss of surface gloss on the polymer with apparent aging on the paint surfaces. The Kapton surfaces showed the greatest change, and postflight analyses showed mass loss of 4.8 percent on STS-2 and 35 percent on STS-3 for most heavily affected surfaces. Strong shadow patterns were evident. The greatest mass loss was measured on surfaces which were exposed to solar radiation in conjunction with exposure in the vehicle velocity vector. A mechanism which involves the interaction of atomic oxygen with organic polymer surfaces is proposed. Atomic oxygen is the major ambient species at low orbital altitudes and presents a flux of 8 x 10 to the 14th power atoms/cu cm sec for reaction. Correlation of the expected mass loss based on ground-based oxygen atom/polymer reaction rates shows lower mass loss of the Kapton than measured. Consideration of solar heating effects on reaction rates as well as the high oxygen atom energy due to the orbiter's orbital velocity brings the predicted and measured mass loss in surprisingly good agreement. Flight sample surface morphology comparison with ground based Kapton/oxygen atom exposures provides additional support for the oxygen interaction mechanism.

A Simple Correlation for Neutron Capture Rates from Nuclear Masses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Couture, Aaron Joseph

Recent studies of neutron capture performed at LANL have revealed a previously unrecognized connection between nuclear masses and the average neutron capture cross section. A team of three scientists from Los Alamos (P-27), Yale Univ., and Istanbul Univ. (Turkey) recently discovered this connection and have published their results as a Rapid Communication in Physical Review C. Neutron capture is a reaction in which a free neutron is absorbed by the nucleus, keeping the element unchanged, but changing isotopes. This reaction is typically exothermic. As a result, the reaction can proceed even when many other reaction channels are closed. In anmore » astrophysical environment, this means that neutron capture is the primary mechanism by which all of the elements with atomic number greater than nickel are produced is neutron capture.« less

Dynamic of negative ions in potassium-D-ribose collisions.

PubMed

Almeida, D; Ferreira da Silva, F; García, G; Limão-Vieira, P

2013-09-21

We present negative ion formation from collisions of neutral potassium atoms with D-ribose (C5H10O5), the sugar unit in the DNA/RNA molecule. From the negative ion time-of-flight (TOF) mass spectra, OH(-) is the main fragment detected in the collision range 50-100 eV accounting on average for 50% of the total anion yield. Prominence is also given to the rich fragmentation pattern observed with special attention to O(-) (16 m/z) formation. These results are in sharp contrast to dissociative electron attachment experiments. The TOF mass spectra assignments show that these channels are also observed, albeit with a much lower relative intensity. Branching ratios of the most abundant fragment anions as a function of the collision energy are obtained, allowing to establish a rationale on the collision dynamics.

Experimental Study of Thermophysical Properties of Peat Fuel

NASA Astrophysics Data System (ADS)

Mikhailov, A. S.; Piralishvili, Sh. A.; Stepanov, E. G.; Spesivtseva, N. S.

2017-03-01

A study has been made of thermophysical properties of peat pellets of higher-than-average reactivity due to the pretreatment of the raw material. A synchronous differential analysis of the produced pellets was performed to determine the gaseous products of their decomposition by the mass-spectroscopy method. The parameters of the mass loss rate, the heat-release function, the activation energy, the rate constant of the combustion reaction, and the volatile yield were compared to the properties of pellets compressed by the traditional method on a matrix pelletizer. It has been determined that as a result of the peat pretreatment, the yield of volatile components increases and the activation energy of the combustion reaction decreases by 17 and 30% respectively compared with the raw fuel. This determines its prospects for burning in an atomized state at coal-fired thermal electric power plants.

Water-equivalence of gel dosimeters for radiology medical imaging.

PubMed

Valente, M; Vedelago, J; Chacón, D; Mattea, F; Velásquez, J; Pérez, P

2018-03-08

International dosimetry protocols are based on determinations of absorbed dose to water. Ideally, the phantom material should be water equivalent; that is, it should have the same absorption and scatter properties as water. This study presents theoretical, experimental and Monte Carlo modeling of water-equivalence of Fricke and polymer (NIPAM, PAGAT and itaconic acid ITABIS) gel dosimeters. Mass and electronic densities along with effective atomic number were calculated by means of theoretical approaches. Samples were scanned by standard computed tomography. Photon mass attenuation coefficients and electron stopping powers were examined. Theoretical, Monte Carlo and experimental results confirmed good water-equivalence for all gel dosimeters. Overall variations with respect to water in the low energy radiology range (up to 130 kVp) were found to be less than 3% in average. Copyright © 2018 Elsevier Ltd. All rights reserved.

A new equation of state Based on Nuclear Statistical Equilibrium for Core-Collapse Simulations

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Yamada, Shoichi; Sumiyoshi, Kohsuke; Suzuki, Hideyuki

2012-09-01

We calculate a new equation of state for baryons at sub-nuclear densities for the use in core-collapse simulations of massive stars. The formulation is the nuclear statistical equilibrium description and the liquid drop approximation of nuclei. The model free energy to minimize is calculated by relativistic mean field theory for nucleons and the mass formula for nuclei with atomic number up to ~ 1000. We have also taken into account the pasta phase. We find that the free energy and other thermodynamical quantities are not very different from those given in the standard EOSs that adopt the single nucleus approximation. On the other hand, the average mass is systematically different, which may have an important effect on the rates of electron captures and coherent neutrino scatterings on nuclei in supernova cores.

Algorithm for quantum-mechanical finite-nuclear-mass variational calculations of atoms with two p electrons using all-electron explicitly correlated Gaussian basis functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharkey, Keeper L.; Pavanello, Michele; Bubin, Sergiy

2009-12-15

A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with two p electrons or a single d electron have been derived and implemented. The Hamiltonian used in the approach was obtained by rigorously separating the center-of-mass motion and it explicitly depends on the finite mass of the nucleus. The approach was employed to perform test calculations on the isotopes of the carbon atom in their ground electronic states and to determine the finite-nuclear-mass corrections for these states.

Observation of dynamic atom-atom correlation in liquid helium in real space.

PubMed

Dmowski, W; Diallo, S O; Lokshin, K; Ehlers, G; Ferré, G; Boronat, J; Egami, T

2017-05-04

Liquid 4 He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4 He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.

Impact of Pb content on the physical parameters of Se-Te-Pb system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anjali,; Sharma, Raman; Thakur, Nagesh

2015-05-15

In the present study, we have investigated the impact of Pb content on the physical parameters in Se-Te-Pb system via average coordination number, constraints, the fraction of floppy modes, cross-linking density, lone pairs electrons, heat of atomization, mean bond energy, cohesive energy and electronegativity. The bulk samples have been prepared by using melt quenching technique. X-ray diffraction pattern of various samples indicates the amorphous nature of investigated glassy alloys. It is observed that average coordination number, average number of constraints and cross-linking density increase with Pb content. However, lone-pair electrons, floppy modes, average heat of atomization, cohesive energy and meanmore » bond energy are found to decrease with Pb atomic percentage.« less

Clarifying atomic weights: A 2016 four-figure table of standard and conventional atomic weights

USGS Publications Warehouse

Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

2017-01-01

To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium); for example, the standard atomic weight of nitrogen became the interval [14.00643, 14.00728]. CIAAW recognized that some users of atomic weight data only need representative values for these 12 elements, such as for trade and commerce. For this purpose, CIAAW provided conventional atomic weight values, such as 14.007 for nitrogen, and these values can serve in education when a single representative value is needed, such as for molecular weight calculations. Because atomic weight values abridged to four figures are preferred by many educational users and are no longer provided by CIAAW as of 2015, we provide a table containing both standard atomic weight values and conventional atomic weight values abridged to four figures for the chemical elements. A retrospective review of changes in four-digit atomic weights since 1961 indicates that changes in these values are due to more accurate measurements over time or to the recognition of the impact of natural isotopic fractionation in normal terrestrial materials upon atomic weight values of many elements. Use of the unit “u” (unified atomic mass unit on the carbon mass scale) with atomic weight is incorrect because the quantity atomic weight is dimensionless, and the unit “amu” (atomic mass unit on the oxygen scale) is an obsolete term: Both should be avoided.

Determination of the Relative Atomic Masses of Metals by Liberation of Molecular Hydrogen

ERIC Educational Resources Information Center

Waghorne, W. Earle; Rous, Andrew J.

2009-01-01

Students determine the relative atomic masses of calcium, magnesium, and aluminum by reaction with hydrochloric acid and measurement of the volume of hydrogen gas liberated. The experiment demonstrates stoichiometry and illustrates clearly that mass of the reagent is not the determinant of the amounts in chemical reactions. The experiment is…

Topographical and Chemical Imaging of a Phase Separated Polymer Using a Combined Atomic Force Microscopy/Infrared Spectroscopy/Mass Spectrometry Platform

DOE PAGES

Tai, Tamin; Karácsony, Orsolya; Bocharova, Vera; ...

2016-02-18

This article describes how the use of a hybrid atomic force microscopy/infrared spectroscopy/mass spectrometry imaging platform was demonstrated for the acquisition and correlation of nanoscale sample surface topography and chemical images based on infrared spectroscopy and mass spectrometry.

40 CFR 65.83 - Performance requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... stream nonhalogenated by reducing the vent stream halogen atom mass emission rate to less than 0.45... requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms contained in...

40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

Code of Federal Regulations, 2012 CFR

2012-07-01

... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

Code of Federal Regulations, 2014 CFR

2014-07-01

... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

40 CFR 65.83 - Performance requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... stream nonhalogenated by reducing the vent stream halogen atom mass emission rate to less than 0.45... requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms contained in...

40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

Code of Federal Regulations, 2010 CFR

2010-07-01

... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

40 CFR 65.83 - Performance requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

... stream nonhalogenated by reducing the vent stream halogen atom mass emission rate to less than 0.45... requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms contained in...

40 CFR 65.83 - Performance requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... stream nonhalogenated by reducing the vent stream halogen atom mass emission rate to less than 0.45... requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms contained in...

40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

Code of Federal Regulations, 2013 CFR

2013-07-01

... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

Code of Federal Regulations, 2011 CFR

2011-07-01

... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

40 CFR 65.83 - Performance requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... stream nonhalogenated by reducing the vent stream halogen atom mass emission rate to less than 0.45... requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms contained in...

Spectral analysis of fundamental signal and noise performances in photoconductors for mammography.

PubMed

Kim, Ho Kyung; Lim, Chang Hwy; Tanguay, Jesse; Yun, Seungman; Cunningham, Ian A

2012-05-01

This study investigates the fundamental signal and noise performance limitations imposed by the stochastic nature of x-ray interactions in selected photoconductor materials, such as Si, a-Se, CdZnTe, HgI(2), PbI(2), PbO, and TlBr, for x-ray spectra typically used in mammography. It is shown how Monte Carlo simulations can be combined with a cascaded model to determine the absorbed energy distribution for each combination of photoconductor and x-ray spectrum. The model is used to determine the quantum efficiency, mean energy absorption per interaction, Swank noise factor, secondary quantum noise, and zero-frequency detective quantum efficiency (DQE). The quantum efficiency of materials with higher atomic number and density demonstrates a larger dependence on convertor thickness than those with lower atomic number and density with the exception of a-Se. The mean deposited energy increases with increasing average energy of the incident x-ray spectrum. HgI(2), PbI(2), and CdZnTe demonstrate the largest increase in deposited energy with increasing mass loading and a-Se and Si the smallest. The best DQE performances are achieved with PbO and TlBr. For mass loading greater than 100 mg cm(-2), a-Se, HgI(2), and PbI(2) provide similar DQE values to PbO and TlBr. The quantum absorption efficiency, average deposited energy per interacting x-ray, Swank noise factor, and detective quantum efficiency are tabulated by means of graphs which may help with the design and selection of materials for photoconductor-based mammography detectors. Neglecting the electrical characteristics of photoconductor materials and taking into account only x-ray interactions, it is concluded that PbO shows the strongest signal-to-noise ratio performance of the materials investigated in this study.

Precision mass measurements of magnesium isotopes and implications for the validity of the isobaric mass multiplet equation

DOE PAGES

Brodeur, M.; Kwiatkowski, A. A.; Drozdowski, O. M.; ...

2017-09-18

If the mass excess of neutron-deficient nuclei and their neutron-rich mirror partners are both known, it can be shown that deviations of the isobaric mass multiplet equation (IMME) in the form of a cubic term can be probed. Such a cubic term was probed by using the atomic mass of neutron-rich magnesium isotopes measured using the TITAN Penning trap and the recently measured proton-separation energies of 29Cl and 30Ar. The atomic mass of 27Mg was found to be within 1.6σ of the value stated in the Atomic Mass Evaluation. The atomic masses of 28,29Mg were measured to be both withinmore » 1σ, while being 7 and 33 times more precise, respectively. Using the 29Mg mass excess and previous measurements of 29Cl, we uncovered a cubic coefficient of d = 28(7)keV, which is the largest known cubic coefficient of the IMME. This departure, however, could also be caused by experimental data with unknown systematic errors. Hence there is a need to confirm the mass excess of 28S and the one-neutron separation energy of 29Cl, which have both come from a single measurement. Lastly, our results were compared with ab initio calculations from the valence-space in-medium similarity renormalization group, resulting in a good agreement.« less

Precision mass measurements of magnesium isotopes and implications for the validity of the isobaric mass multiplet equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brodeur, M.; Kwiatkowski, A. A.; Drozdowski, O. M.

If the mass excess of neutron-deficient nuclei and their neutron-rich mirror partners are both known, it can be shown that deviations of the isobaric mass multiplet equation (IMME) in the form of a cubic term can be probed. Such a cubic term was probed by using the atomic mass of neutron-rich magnesium isotopes measured using the TITAN Penning trap and the recently measured proton-separation energies of 29Cl and 30Ar. The atomic mass of 27Mg was found to be within 1.6σ of the value stated in the Atomic Mass Evaluation. The atomic masses of 28,29Mg were measured to be both withinmore » 1σ, while being 7 and 33 times more precise, respectively. Using the 29Mg mass excess and previous measurements of 29Cl, we uncovered a cubic coefficient of d = 28(7)keV, which is the largest known cubic coefficient of the IMME. This departure, however, could also be caused by experimental data with unknown systematic errors. Hence there is a need to confirm the mass excess of 28S and the one-neutron separation energy of 29Cl, which have both come from a single measurement. Lastly, our results were compared with ab initio calculations from the valence-space in-medium similarity renormalization group, resulting in a good agreement.« less

A DIRECT MEASUREMENT OF THE BARYONIC MASS FUNCTION OF GALAXIES AND IMPLICATIONS FOR THE GALACTIC BARYON FRACTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Papastergis, Emmanouil; Huang, Shan; Giovanelli, Riccardo

We use both an H I-selected and an optically selected galaxy sample to directly measure the abundance of galaxies as a function of their 'baryonic' mass (stars + atomic gas). Stellar masses are calculated based on optical data from the Sloan Digital Sky Survey and atomic gas masses are calculated using atomic hydrogen (H I) emission line data from the Arecibo Legacy Fast ALFA survey. By using the technique of abundance matching, we combine the measured baryonic function of galaxies with the dark matter halo mass function in a {Lambda}CDM universe, in order to determine the galactic baryon fraction asmore » a function of host halo mass. We find that the baryon fraction of low-mass halos is much smaller than the cosmic value, even when atomic gas is taken into account. We find that the galactic baryon deficit increases monotonically with decreasing halo mass, in contrast with previous studies which suggested an approximately constant baryon fraction at the low-mass end. We argue that the observed baryon fractions of low-mass halos cannot be explained by reionization heating alone, and that additional feedback mechanisms (e.g., supernova blowout) must be invoked. However, the outflow rates needed to reproduce our result are not easily accommodated in the standard picture of galaxy formation in a {Lambda}CDM universe.« less

To acquire more detailed radiation drive by use of ``quasi-steady'' approximation in atomic kinetics

NASA Astrophysics Data System (ADS)

Ren, Guoli; Pei, Wenbing; Lan, Ke; Gu, Peijun; Li, Xin

2012-10-01

In current routine 2D simulation of hohlraum physics, we adopt the principal-quantum- number(n-level) average atom model(AAM) in NLTE plasma description. However, the detailed experimental frequency-dependant radiative drive differs from our n-level simulated drive, which reminds us the need of a more detailed atomic kinetics description. The orbital-quantum- number(nl-level) average atom model is a natural consideration, however the nl-level in-line calculation needs much more computational resource. By distinguishing the rapid bound-bound atomic processes from the relative slow bound-free atomic processes, we found a method to build up a more detailed bound electron distribution(nl-level even nlm-level) using in-line n-level calculated plasma conditions(temperature, density, and average ionization degree). We name this method ``quasi-steady approximation'' in atomic kinetics. Using this method, we re-build the nl-level bound electron distribution (Pnl), and acquire a new hohlraum radiative drive by post-processing. Comparison with the n-level post-processed hohlraum drive shows that we get an almost identical radiation flux but with more fine frequency-denpending spectrum structure which appears only in nl-level transition with same n number(n=0) .

Use of molecular modeling to determine the interaction and competition of gases within coal for carbon dioxide sequestration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jeffrey D. Evanseck; Jeffry D. Madura; Jonathan P. Mathews

2006-04-21

Molecular modeling was employed to both visualize and probe our understanding of carbon dioxide sequestration within a bituminous coal. A large-scale (>20,000 atoms) 3D molecular representation of Pocahontas No. 3 coal was generated. This model was constructed based on a the review data of Stock and Muntean, oxidation and decarboxylation data for aromatic clustersize frequency of Stock and Obeng, and the combination of Laser Desorption Mass Spectrometry data with HRTEM, enabled the inclusion of a molecular weight distribution. The model contains 21,931 atoms, with a molecular mass of 174,873 amu, and an average molecular weight of 714 amu, with 201more » structural components. The structure was evaluated based on several characteristics to ensure a reasonable constitution (chemical and physical representation). The helium density of Pocahontas No. 3 coal is 1.34 g/cm{sup 3} (dmmf) and the model was 1.27 g/cm{sup 3}. The structure is microporous, with a pore volume comprising 34% of the volume as expected for a coal of this rank. The representation was used to visualize CO{sub 2}, and CH{sub 4} capacity, and the role of moisture in swelling and CO{sub 2}, and CH{sub 4} capacity reduction. Inclusion of 0.68% moisture by mass (ash-free) enabled the model to swell by 1.2% (volume). Inclusion of CO{sub 2} enabled volumetric swelling of 4%.« less

Photoionization of Atoms and Molecules using a Configuration-Average Distorted-Wave Method

NASA Astrophysics Data System (ADS)

Pindzola, M. S.; Balance, C. P.; Loch, S. D.; Ludlow, J. A.

2011-05-01

A configuration-average distorted-wave method is applied to calculate the photoionization cross section for the outer subshells of the C atom and the C2 diatomic molecule. Comparisions are made with previous R-matrix and Hartree- Fock distorted-wave calculations.

40 CFR 63.128 - Transfer operations provisions-test methods and procedures.

Code of Federal Regulations, 2013 CFR

2013-07-01

... using a scrubber or other halogen reduction device to reduce the vent stream halogen atom mass emission...)(2) shall determine the halogen atom mass emission rate prior to the combustor according to the...

40 CFR 63.128 - Transfer operations provisions-test methods and procedures.

Code of Federal Regulations, 2011 CFR

2011-07-01

... using a scrubber or other halogen reduction device to reduce the vent stream halogen atom mass emission...)(2) shall determine the halogen atom mass emission rate prior to the combustor according to the...

40 CFR 63.128 - Transfer operations provisions-test methods and procedures.

Code of Federal Regulations, 2010 CFR

2010-07-01

... using a scrubber or other halogen reduction device to reduce the vent stream halogen atom mass emission...)(2) shall determine the halogen atom mass emission rate prior to the combustor according to the...

40 CFR 63.128 - Transfer operations provisions-test methods and procedures.

Code of Federal Regulations, 2014 CFR

2014-07-01

... using a scrubber or other halogen reduction device to reduce the vent stream halogen atom mass emission...)(2) shall determine the halogen atom mass emission rate prior to the combustor according to the...

40 CFR 63.128 - Transfer operations provisions-test methods and procedures.

Code of Federal Regulations, 2012 CFR

2012-07-01

... using a scrubber or other halogen reduction device to reduce the vent stream halogen atom mass emission...)(2) shall determine the halogen atom mass emission rate prior to the combustor according to the...

In Situ Measurements of Meteoric Ions. Chapter 8

NASA Technical Reports Server (NTRS)

Grebowsky, Joseph M.; Aikin, Arthur C.; Vondrak, Richard R. (Technical Monitor)

2001-01-01

Metal ions found in the atmosphere above 60 km are the result of incoming meteoroid atmospheric ablation. Layers of metal ions are detected by sounding rocket in situ mass spectrometric sampling in the 80 to 130 km region, which coincides with the altitude region where meteors are observed. Enhancements of metal ion concentrations occur during meteor showers. Even outside of shower periods, the metal ion altitude profiles vary from measurement to measurement. Double layers are frequent at middle latitudes. More than 40 different meteoric atomic and molecular ions, including isotopes, have been detected. Atmospheric metal ions on average have an abundance that matches chrondritic material, the same composition as the early solar system. However there are frequently local departures from this composition due to differential ablation, species dependent chemistry and mass dependent ion transport. Metal ions react with atmospheric O2, O, O3, H2O and H2O2 to form oxygenated and hydrogenated ionic compounds. Metal atomic ions at high altitudes have long lifetimes. As a result, these ions, in the presence of Earth's magnetic field, are transported over long distances by upper atmospheric winds and ionospheric electric fields. Satellite measurements have detected metal ions as high as, approximately 1000 km and have revealed circulation of the ions on a global scale.

Progress towards a space-borne quantum gravity gradiometer

NASA Technical Reports Server (NTRS)

Yu, Nan; Kohel, James M.; Ramerez-Serrano, Jaime; Kellogg, James R.; Lim, Lawrence; Maleki, Lute

2004-01-01

Quantum interferometer gravity gradiometer for 3D mapping is a project for developing the technology of atom interferometer-based gravity sensor in space. The atom interferometer utilizes atomic particles as free fall test masses to measure inertial forces with unprecedented sensitivity and precision. It also allows measurements of the gravity gradient tensor components for 3D mapping of subsurface mass distribution. The overall approach is based on recent advances of laser cooling and manipulation of atoms in atomic and optical physics. Atom interferometers have been demonstrated in research laboratories for gravity and gravity gradient measurements. In this approach, atoms are first laser cooled to micro-kelvin temperatures. Then they are allowed to freefall in vacuum as true drag-free test masses. During the free fall, a sequence of laser pulses is used to split and recombine the atom waves to realize the interferometric measurements. We have demonstrated atom interferometer operation in the Phase I period, and we are implementing the second generation for a complete gradiometer demonstration unit in the laboratory. Along with this development, we are developing technologies at component levels that will be more suited for realization of a space instrument. We will present an update of these developments and discuss the future directions of the quantum gravity gradiometer project.

Atmospheric deposition process for enhanced hybrid organic-inorganic multilayer barrier thin films for surface protection

NASA Astrophysics Data System (ADS)

Rehman, Mohammad Mutee ur; Kim, Kwang Tae; Na, Kyoung Hoan; Choi, Kyung Hyun

2017-11-01

In this study, organic polymer poly-vinyl acetate (PVA) and inorganic aluminum oxide (Al2O3) have been used together to fabricate a hybrid barrier thin film for the protection of PET substrate. The organic thin films of PVA were developed through roll to roll electrohydrodynamic atomization (R2R-EHDA) whereas the inorganic thin films of Al2O3 were grown by roll to roll spatial atmospheric atomic layer deposition (R2R-SAALD) for mass production. The use of these two technologies together to develop a multilayer hybrid organic-inorganic barrier thin films under atmospheric conditions is reported for the first time. These multilayer hybrid barrier thin films are fabricated on flexible PET substrate. Each layer of Al2O3 and PVA in barrier thin film exhibited excellent morphological, chemical and optical properties. Extremely uniform and atomically thin films of Al2O3 with average arithmetic roughness (Ra) of 1.64 nm and 1.94 nm respectively concealed the non-uniformity and irregularities in PVA thin films with Ra of 2.9 nm and 3.6 nm respectively. The optical transmittance of each layer was ∼ 80-90% while the water vapor transmission rate (WVTR) of hybrid barrier was in the range of ∼ 2.3 × 10-2 g m-2 day-1 with a total film thickness of ∼ 200 nm. Development of such hybrid barrier thin films with mass production and low cost will allow various flexible electronic devices to operate in atmospheric conditions without degradation of their properties.

Nanoscale mass conveyors

DOEpatents

Regan, Brian C [Oakland, CA; Aloni, Shaul [Albany, CA; Zettl, Alexander K [Kensington, CA

2008-03-11

A mass transport method and device for individually delivering chargeable atoms or molecules from source particles is disclosed. It comprises a channel; at least one source particle of chargeable material fixed to the surface of the channel at a position along its length; a means of heating the channel; and a means for applying an controllable electric field along the channel, whereby the device transports the atoms or molecules along the channel in response to applied electric field. In a preferred embodiment, the mass transport device will comprise a multiwalled carbon nanotube (MWNT), although other one dimensional structures may also be used. The MWNT or other structure acts as a channel for individual or small collections of atoms due to the atomic smoothness of the material. Also preferred is a source particle of a metal such as indium. The particles move by dissociation into small units, in some cases, individual atoms. The particles are preferably less than 100 nm in size.

Efficient Procedure for the Numerical Calculation of Harmonic Vibrational Frequencies Based on Internal Coordinates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miliordos, Evangelos; Xantheas, Sotiris S.

We propose a general procedure for the numerical calculation of the harmonic vibrational frequencies that is based on internal coordinates and Wilson’s GF methodology via double differentiation of the energy. The internal coordinates are defined as the geometrical parameters of a Z-matrix structure, thus avoiding issues related to their redundancy. Linear arrangements of atoms are described using a dummy atom of infinite mass. The procedure has been automated in FORTRAN90 and its main advantage lies in the nontrivial reduction of the number of single-point energy calculations needed for the construction of the Hessian matrix when compared to the corresponding numbermore » using double differentiation in Cartesian coordinates. For molecules of C 1 symmetry the computational savings in the energy calculations amount to 36N – 30, where N is the number of atoms, with additional savings when symmetry is present. Typical applications for small and medium size molecules in their minimum and transition state geometries as well as hydrogen bonded clusters (water dimer and trimer) are presented. Finally, in all cases the frequencies based on internal coordinates differ on average by <1 cm –1 from those obtained from Cartesian coordinates.« less

Quantum conductance oscillation in linear monatomic silicon chains

NASA Astrophysics Data System (ADS)

Liu, Fu-Ti; Cheng, Yan; Yang, Fu-Bin; Chen, Xiang-Rong

2014-02-01

The conductance of linear silicon atomic chains with n=1-8 atoms sandwiched between Au electrodes is investigated by using the density functional theory combined with non-equilibrium Green's function. The results show that the conductance oscillates with a period of two atoms as the number of atoms in the chain is varied. We optimize the geometric structure of nanoscale junctions in different distances, and obtain that the average bond-length of silicon atoms in each chain at equilibrium positions is 2.15±0.03 Å. The oscillation of average Si-Si bond-length can explain the conductance oscillation from the geometric structure of atomic chains. We calculate the transmission spectrum of the chains in the equilibrium positions, and explain the conductance oscillation from the electronic structure. The transport channel is mainly contributed by px and py orbital electrons of silicon atoms. The even-odd oscillation is robust under external voltage up to 1.2 V.

Atom Interferometry for Fundamental Physics and Gravity Measurements in Space

NASA Technical Reports Server (NTRS)

Kohel, James M.

2012-01-01

Laser-cooled atoms are used as freefall test masses. The gravitational acceleration on atoms is measured by atom-wave interferometry. The fundamental concept behind atom interferometry is the quantum mechanical particle-wave duality. One can exploit the wave-like nature of atoms to construct an atom interferometer based on matter waves analogous to laser interferometers.

Revealing Ligand Binding Sites and Quantifying Subunit Variants of Noncovalent Protein Complexes in a Single Native Top-Down FTICR MS Experiment

NASA Astrophysics Data System (ADS)

Li, Huilin; Wongkongkathep, Piriya; Van Orden, Steve L.; Ogorzalek Loo, Rachel R.; Loo, Joseph A.

2014-12-01

"Native" mass spectrometry (MS) has been proven to be increasingly useful for structural biology studies of macromolecular assemblies. Using horse liver alcohol dehydrogenase (hADH) and yeast alcohol dehydrogenase (yADH) as examples, we demonstrate that rich information can be obtained in a single native top-down MS experiment using Fourier transform ion cyclotron mass spectrometry (FTICR MS). Beyond measuring the molecular weights of the protein complexes, isotopic mass resolution was achieved for yeast ADH tetramer (147 kDa) with an average resolving power of 412,700 at m/z 5466 in absorption mode, and the mass reflects that each subunit binds to two zinc atoms. The N-terminal 89 amino acid residues were sequenced in a top-down electron capture dissociation (ECD) experiment, along with the identifications of the zinc binding site at Cys46 and a point mutation (V58T). With the combination of various activation/dissociation techniques, including ECD, in-source dissociation (ISD), collisionally activated dissociation (CAD), and infrared multiphoton dissociation (IRMPD), 40% of the yADH sequence was derived directly from the native tetramer complex. For hADH, native top-down ECD-MS shows that both E and S subunits are present in the hADH sample, with a relative ratio of 4:1. Native top-down ISD of the hADH dimer shows that each subunit (E and S chains) binds not only to two zinc atoms, but also the NAD/NADH ligand, with a higher NAD/NADH binding preference for the S chain relative to the E chain. In total, 32% sequence coverage was achieved for both E and S chains.

Performance and properties of atomic oxygen protective coatings for polymeric materials

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Lamoreaux, Cynthia

1992-01-01

Such large LEO spacecraft as the Space Station Freedom will encounter high atomic oxygen fluences which entail the use of protective coatings for their polymeric structural materials. Such coatings have demonstrated polymer mass losses due to oxidation that are much smaller than those of unprotected materials. Attention is here given to protective and/or electrically conductive coatings of SiO(x), Ge, and indium-tin oxide which have been exposed to atomic oxygen in order to ascertain mass loss, electrical conductivity, and optical property dependence on atomic oxygen exposure.

40 CFR 65.63 - Performance and group status change requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... halogen atom mass emission rate to less than 0.45 kilogram per hour (0.99 pound per hour) prior to any... the requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms...

40 CFR 65.63 - Performance and group status change requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... halogen atom mass emission rate to less than 0.45 kilogram per hour (0.99 pound per hour) prior to any... the requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms...

40 CFR 65.63 - Performance and group status change requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... halogen atom mass emission rate to less than 0.45 kilogram per hour (0.99 pound per hour) prior to any... the requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms...

40 CFR 65.63 - Performance and group status change requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... halogen atom mass emission rate to less than 0.45 kilogram per hour (0.99 pound per hour) prior to any... the requirements of paragraph (a)(1) or (2) of this section. The mass emission rate of halogen atoms...

The effect of center-of-mass motion on photon statistics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yang; Zhang, Jun; Wu, Shao-xiong

2015-10-15

We analyze the photon statistics of a weakly driven cavity quantum electrodynamics system and discuss the effects of photon blockade and photon-induced tunneling by effectively utilizing instead of avoiding the center-of-mass motion of a two-level atom trapped in the cavity. With the resonant interaction between atom, photon and phonon, it is shown that the bunching and anti-bunching of photons can occur with properly driving frequency. Our study shows the influence of the imperfect cooling of atom on the blockade and provides an attempt to take advantage of the center-of-mass motion.

Vector dark matter detection using the quantum jump of atoms

NASA Astrophysics Data System (ADS)

Yang, Qiaoli; Di, Haoran

2018-05-01

The hidden sector U(1) vector bosons created from inflationary fluctuations can be a substantial fraction of dark matter if their mass is around 10-5 eV. The creation mechanism makes the vector bosons' energy spectral density ρcdm / ΔE very high. Therefore, the dark electric dipole transition rate in atoms is boosted if the energy gap between atomic states equals the mass of the vector bosons. By using the Zeeman effect, the energy gap between the 2S state and the 2P state in hydrogen atoms or hydrogen like ions can be tuned. The 2S state can be populated with electrons due to its relatively long life, which is about 1/7 s. When the energy gap between the semi-ground 2S state and the 2P state matches the mass of the cosmic vector bosons, induced transitions occur and the 2P state subsequently decays into the 1S state. The 2 P → 1 S decay emitted Lyman-α photons can then be registered. The choices of target atoms depend on the experimental facilities and the mass ranges of the vector bosons. Because the mass of the vector boson is connected to the inflation scale, the proposed experiment may provide a probe to inflation.

Observation of dynamic atom-atom correlation in liquid helium in real space

DOE PAGES

Dmowski, W.; Diallo, S. O.; Lokshin, K.; ...

2017-05-04

Liquid 4He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom–atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4He atoms in the Bose–Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDFmore » peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom–atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.« less

Observation of dynamic atom-atom correlation in liquid helium in real space

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dmowski, W.; Diallo, S. O.; Lokshin, K.

Liquid 4He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom–atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4He atoms in the Bose–Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDFmore » peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom–atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.« less

Super-Maxwellian helium evaporation from pure and salty water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, Christine; Kann, Zachary R.; Faust, Jennifer A.

2016-01-28

Helium atoms evaporate from pure water and salty solutions in super-Maxwellian speed distributions, as observed experimentally and modeled theoretically. The experiments are performed by monitoring the velocities of dissolved He atoms that evaporate from microjets of pure water at 252 K and 4–8.5 molal LiCl and LiBr at 232–252 K. The average He atom energies exceed the flux-weighted Maxwell-Boltzmann average of 2RT by 30% for pure water and 70% for 8.5m LiBr. Classical molecular dynamics simulations closely reproduce the observed speed distributions and provide microscopic insight into the forces that eject the He atoms from solution. Comparisons of the densitymore » profile and He kinetic energies across the water-vacuum interface indicate that the He atoms are accelerated by He–water collisions within the top 1-2 layers of the liquid. We also find that the average He atom kinetic energy scales with the free energy of solvation of this sparingly soluble gas. This free-energy difference reflects the steeply decreasing potential of mean force on the He atoms in the interfacial region, whose gradient is the repulsive force that tends to expel the atoms. The accompanying sharp decrease in water density suppresses the He–water collisions that would otherwise maintain a Maxwell-Boltzmann distribution, allowing the He atom to escape at high energies. Helium is especially affected by this reduction in collisions because its weak interactions make energy transfer inefficient.« less

A Herschel [C ii] Galactic plane survey. I. The global distribution of ISM gas components

NASA Astrophysics Data System (ADS)

Pineda, J. L.; Langer, W. D.; Velusamy, T.; Goldsmith, P. F.

2013-06-01

Context. The [C ii] 158 μm line is an important tool for understanding the life cycle of interstellar matter. Ionized carbon is present in a variety of phases of the interstellar medium (ISM), including the diffuse ionized medium, warm and cold atomic clouds, clouds in transition from atomic to molecular, and dense and warm photon dominated regions. Aims: Velocity-resolved observations of [C ii] are the most powerful technique available to disentangle the emission produced by these components. These observations can also be used to trace CO-dark H2 gas and determine the total mass of the ISM. Methods: The Galactic Observations of Terahertz C+ (GOT C+) project surveys the [C ii] 158 μm line over the entire Galactic disk with velocity-resolved observations using the Herschel/HIFI instrument. We present the first longitude-velocity maps of the [C ii] emission for Galactic latitudes b = 0°, ±0.5°, and ±1.0°. We combine these maps with those of H i, 12CO, and 13CO to separate the different phases of the ISM and study their properties and distribution in the Galactic plane. Results: [C ii] emission is mostly associated with spiral arms, mainly emerging from Galactocentric distances between 4 and 10 kpc. It traces the envelopes of evolved clouds as well as clouds that are in the transition between atomic and molecular. We estimate that most of the observed [C ii] emission is produced by dense photon dominated regions (~47%), with smaller contributions from CO-dark H2 gas (~28%), cold atomic gas (~21%), and ionized gas (~4%). Atomic gas inside the Solar radius is mostly in the form of cold neutral medium (CNM), while the warm neutral medium gas dominates the outer galaxy. The average fraction of CNM relative to total atomic gas is ~43%. We find that the warm and diffuse CO-dark H2 is distributed over a larger range of Galactocentric distances (4-11 kpc) than the cold and dense H2 gas traced by 12CO and 13CO (4-8 kpc). The fraction of CO-dark H2 to total H2 increases with Galactocentric distance, ranging from ~20% at 4 kpc to ~80% at 10 kpc. On average, CO-dark H2 accounts for ~30% of the molecular mass of the Milky Way. When the CO-dark H2 component is included, the radial distribution of the CO-to-H2 conversion factor is steeper than that when only molecular gas traced by CO is considered. Most of the observed [C ii] emission emerging from dense photon dominated regions is associated with modest far-ultraviolet fields in the range χ0 ≃ 1 - 30. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.Appendices are available in electronic form at http://www.aanda.org

Size dependent fragmentation of argon clusters in the soft x-ray ionization regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gisselbrecht, Mathieu; Lindgren, Andreas; Burmeister, Florian

Photofragmentation of argon clusters of average size ranging from 10 up to 1000 atoms is studied using soft x-ray radiation below the 2p threshold and multicoincidence mass spectroscopy technique. For small clusters (=10), ionization induces fast fragmentation with neutral emission imparting a large amount of energy. While the primary dissociation takes place on a picosecond time scale, the fragments undergo slow degradation in the spectrometer on a microsecond time scale. For larger clusters ({>=}100) we believe that we observe the fragmentation pattern of multiply charged species on a time-scale which lasts a few hundred nanoseconds. The reason for these slowermore » processes is the large number of neutral atoms which act as an efficient cooling bath where the excess energy ('heat') dissipates among all degrees of freedom. Further degradation of the photoionic cluster in spectrometer then takes place on the microsecond time scale, similar to small clusters.« less

Quantitative analysis of Si1-xGex alloy films by SIMS and XPS depth profiling using a reference material

NASA Astrophysics Data System (ADS)

Oh, Won Jin; Jang, Jong Shik; Lee, Youn Seoung; Kim, Ansoon; Kim, Kyung Joong

2018-02-01

Quantitative analysis methods of multi-element alloy films were compared. The atomic fractions of Si1-xGex alloy films were measured by depth profiling analysis with secondary ion mass spectrometry (SIMS) and X-ray Photoelectron Spectroscopy (XPS). Intensity-to-composition conversion factor (ICF) was used as a mean to convert the intensities to compositions instead of the relative sensitivity factors. The ICFs were determined from a reference Si1-xGex alloy film by the conventional method, average intensity (AI) method and total number counting (TNC) method. In the case of SIMS, although the atomic fractions measured by oxygen ion beams were not quantitative due to severe matrix effect, the results by cesium ion beam were very quantitative. The quantitative analysis results by SIMS using MCs2+ ions are comparable to the results by XPS. In the case of XPS, the measurement uncertainty was highly improved by the AI method and TNC method.

Oxygen-induced high diffusion rate of magnesium dopants in GaN/AlGaN based UV LED heterostructures.

PubMed

Michałowski, Paweł Piotr; Złotnik, Sebastian; Sitek, Jakub; Rosiński, Krzysztof; Rudziński, Mariusz

2018-05-23

Further development of GaN/AlGaN based optoelectronic devices requires optimization of the p-type material growth process. In particular, uncontrolled diffusion of Mg dopants may decrease the performance of a device. Thus it is meaningful to study the behavior of Mg and the origins of its diffusion in detail. In this work we have employed secondary ion mass spectrometry to study the diffusion of magnesium in GaN/AlGaN structures. We show that magnesium has a strong tendency to form Mg-H complexes which immobilize Mg atoms and restrain their diffusion. However, these complexes are not present in samples post-growth annealed in an oxygen atmosphere or Al-rich AlGaN structures which naturally have a high oxygen concentration. In these samples, more Mg atoms are free to diffuse and thus the average diffusion length is considerably larger than for a sample annealed in an inert atmosphere.

Origins of the Thermosphere-Ionosphere Semiannual Oscillation: Reformulating the "Thermospheric Spoon" Mechanism

NASA Astrophysics Data System (ADS)

Jones, M.; Emmert, J. T.; Drob, D. P.; Picone, J. M.; Meier, R. R.

2018-01-01

We demonstrate how Earth's obliquity generates the global thermosphere-ionosphere (T-I) semiannual oscillation (SAO) in mass density and electron density primarily through seasonally varying large-scale advection of neutral thermospheric constituents, sometimes referred to as the "thermospheric spoon" mechanism (TSM). The National Center for Atmospheric Research thermosphere-ionosphere-mesosphere-electrodynamics general circulation model (TIME-GCM) is used to isolate the TSM forcing of this prominent intraannual variation (IAV) and to elucidate the contributions of other processes to the T-I SAO. An ˜30% SAO in globally averaged mass density (relative to its global annual average) at 400 km is reproduced in the TIME-GCM in the absence of seasonally varying eddy diffusion, tropospheric tidal forcing, and gravity wave breaking. Artificially, decreasing the tilt of Earth's rotation axis with respect to the ecliptic plane to 11.75° reduces seasonal variations in insolation and weakens interhemispheric pressure differences at the solstices, thereby damping the global-scale, interhemispheric transport of atomic oxygen (O) and molecular nitrogen in the thermosphere and reducing the simulated global mass density SAO amplitude to ˜10%. Simulated T-I IAVs in mass density and electron density have equinoctial maxima at all latitudes near the F2 region peak; this phasing and its latitude dependence agree well with empirically inferred climatologies. When tropospheric tides and gravity waves are included, simulated IAV amplitudes and their latitudinal dependence also agree well with empirically inferred climatologies. Simulated meridional and vertical transport of O due to the TSM couples to the upper mesospheric circulation, which also contributes to the T-I SAO through O chemistry.

Fusion and quasifission studies for the 40Ca+186W,192Os reactions

NASA Astrophysics Data System (ADS)

Prasad, E.; Hinde, D. J.; Williams, E.; Dasgupta, M.; Carter, I. P.; Cook, K. J.; Jeung, D. Y.; Luong, D. H.; Palshetkar, C. S.; Rafferty, D. C.; Ramachandran, K.; Simenel, C.; Wakhle, A.

2017-09-01

Background: All elements above atomic number 113 have been synthesized using hot fusion reactions with calcium beams on statically deformed actinide target nuclei. Quasifission and fusion-fission are the two major mechanisms responsible for the very low production cross sections of superheavy elements. Purpose: To achieve a quantitative measurement of capture and quasifission characteristics as a function of beam energy in reactions forming heavy compound systems using calcium beams as projectiles. Methods: Fission fragment mass-angle distributions were measured for the two reactions 40Ca+186W and 40C+192Os, populating 226Pu and 232Cm compound nuclei, respectively, using the Heavy Ion Accelerator Facility and CUBE spectrometer at the Australian National University. Mass ratio distributions, angular distributions, and total fission cross sections were obtained from the experimental data. Simulations to match the features of the experimental mass-angle distributions were performed using a classical phenomenological approach. Results: Both 40Ca+186W and 40C+192Os reactions show strong mass-angle correlations at all energies measured. A maximum fusion probability of 60 -70 % is estimated for the two reactions in the energy range of the present study. Coupled-channels calculations assuming standard Woods-Saxon potential parameters overpredict the capture cross sections. Large nuclear potential diffuseness parameters ˜1.5 fm are required to fit the total capture cross sections. The presence of a weak mass-asymmetric quasifission component attributed to the higher angular momentum events can be reproduced with a shorter average sticking time but longer mass-equilibration time constant. Conclusions: The deduced above-barrier capture cross sections suggest that the dissipative processes are already occurring outside the capture barrier. The mass-angle correlations indicate that a compact shape is not achieved for deformation aligned collisions with lower capture barriers. The average sticking time of fast quasifission events is 10-20 s.

Electrostatic interaction energy and factor 1.23

NASA Astrophysics Data System (ADS)

Rubčić, A.; Arp, H.; Rubčić, J.

The factor F≫1.23 has originally been found in the redshift of quasars. Recently, it has been found in very different physical phenomena: the life-time of muonium, the masses of elementary particles (leptons, quarks,...), the correlation of atomic weight (A) and atomic number (Z) and the correlation of the sum of masses of all orbiting bodies with the mass of the central body in gravitational systems.

Experimental study of the spray characteristics of a research airblast atomizer

NASA Technical Reports Server (NTRS)

Acosta, W. A.

1985-01-01

Airblast atomization was studied using a especially designed atomizer in which the liquid first impinges on a splash plate, then is directed radially outward and is atomized by the air passing through two concentric, vaned swirlers that swirl the air in opposite directions. The effect of flow conditions, air mass velocity (mass flow rate per unit area) and liquid to air ratio on the mean drop size was studied. Seven different ethanol solutions were used to simulate changes in fuel physical properties. The range of atomizing air velocities was from 30 to 80 m/s. The mean drop diameter was measured at ambient temperature (295 K) and atmospheric pressure.

Experimental study of the spray characteristics of a research airblast atomizer

NASA Technical Reports Server (NTRS)

Acosta, W. A.

1985-01-01

Airblast atomization was studied using a especially designed atomizer in which the liquid first impinges on a splash plate, then is directed radically outward and is atomized by the air passing through two concentric, vaned swirlers that swirl the air in opposite directions. The effect of flow conditions, air mass velocity (mass flow rate per unit area) and liquid to air ratio on the mean drop size was studied. Seven different ethanol solutions were used to simulate changes in fuel physical properties. The range of atomizing air velocities was from 30 to 80 m/s. The mean drop diameter was measured at ambient temperature (295 K) and atmospheric pressure.

Testing atomic mass models with radioactive beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haustein, P.E.

1989-01-01

Significantly increased yields of new or poorly characterized exotic isotopes that lie far from beta-decay stability can be expected when radioactive beams are used to produce these nuclides. Measurements of the masses of these new species are very important. Such measurements are motivated by the general tendency of mass models to diverge from one another upon excursions from the line of beta-stability. Therefore in these regions (where atomic mass data are presently nonexistent or sparse) the models can be tested rigorously to highlight the features that affect the quality of their short-range and long-range extrapolation properties. Selection of systems tomore » study can be guided, in part, by a desire to probe those mass regions where distinctions among mass models are most apparent and where yields of exotic isotopes, produced via radioactive beams, can be optimized. Identification of models in such regions that have good predictive properties will aid materially in guiding the selection of additional experiments which ultimately will provide expansion of the atomic mass database for further refinement of the mass models. 6 refs., 5 figs.« less

Ion optical design of a collinear laser-negative ion beam apparatus.

PubMed

Diehl, C; Wendt, K; Lindahl, A O; Andersson, P; Hanstorp, D

2011-05-01

An apparatus for photodetachment studies on atomic and molecular negative ions of medium up to heavy mass (M ≃ 500) has been designed and constructed. Laser and ion beams are merged in the apparatus in a collinear geometry and atoms, neutral molecules and negative ions are detected in the forward direction. The ion optical design and the components used to optimize the mass resolution and the transmission through the extended field-free interaction region are described. A 90° sector field magnet with 50 cm bending radius in combination with two slits is used for mass dispersion providing a resolution of M∕ΔM≅800 for molecular ions and M∕ΔM≅400 for atomic ions. The difference in mass resolution for atomic and molecular ions is attributed to different energy distributions of the sputtered ions. With 1 mm slits, transmission from the source through the interaction region to the final ion detector was determined to be about 0.14%.

Use of multiwavelength emission from hollow cathode lamp for measurement of state resolved atom density of metal vapor produced by electron beam evaporation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Majumder, A.; Dikshit, B.; Bhatia, M. S.

2008-09-15

State resolved atom population of metal vapor having low-lying metastable states departs from equilibrium value. It needs to be experimentally investigated. This paper reports the use of hollow cathode lamp based atomic absorption spectroscopy technique to measure online the state resolved atom density (ground and metastable) of metal vapor in an atomic beam produced by a high power electron gun. In particular, the advantage of availability of multiwavelength emission in hollow cathode lamp is used to determine the atom density in different states. Here, several transitions pertaining to a given state have also been invoked to obtain the mean valuemore » of atom density thereby providing an opportunity for in situ averaging. It is observed that at higher source temperatures the atoms from metastable state relax to the ground state. This is ascribed to competing processes of atom-atom and electron-atom collisions. The formation of collision induced virtual source is inferred from measurement of atom density distribution profile along the width of the atomic beam. The total line-of-sight average atom density measured by absorption technique using hollow cathode lamp is compared to that measured by atomic vapor deposition method. The presence of collisions is further supported by determination of beaming exponent by numerically fitting the data.« less

Design of a dual species atom interferometer for space

NASA Astrophysics Data System (ADS)

Schuldt, Thilo; Schubert, Christian; Krutzik, Markus; Bote, Lluis Gesa; Gaaloul, Naceur; Hartwig, Jonas; Ahlers, Holger; Herr, Waldemar; Posso-Trujillo, Katerine; Rudolph, Jan; Seidel, Stephan; Wendrich, Thijs; Ertmer, Wolfgang; Herrmann, Sven; Kubelka-Lange, André; Milke, Alexander; Rievers, Benny; Rocco, Emanuele; Hinton, Andrew; Bongs, Kai; Oswald, Markus; Franz, Matthias; Hauth, Matthias; Peters, Achim; Bawamia, Ahmad; Wicht, Andreas; Battelier, Baptiste; Bertoldi, Andrea; Bouyer, Philippe; Landragin, Arnaud; Massonnet, Didier; Lévèque, Thomas; Wenzlawski, Andre; Hellmig, Ortwin; Windpassinger, Patrick; Sengstock, Klaus; von Klitzing, Wolf; Chaloner, Chris; Summers, David; Ireland, Philip; Mateos, Ignacio; Sopuerta, Carlos F.; Sorrentino, Fiodor; Tino, Guglielmo M.; Williams, Michael; Trenkel, Christian; Gerardi, Domenico; Chwalla, Michael; Burkhardt, Johannes; Johann, Ulrich; Heske, Astrid; Wille, Eric; Gehler, Martin; Cacciapuoti, Luigi; Gürlebeck, Norman; Braxmaier, Claus; Rasel, Ernst

2015-06-01

Atom interferometers have a multitude of proposed applications in space including precise measurements of the Earth's gravitational field, in navigation & ranging, and in fundamental physics such as tests of the weak equivalence principle (WEP) and gravitational wave detection. While atom interferometers are realized routinely in ground-based laboratories, current efforts aim at the development of a space compatible design optimized with respect to dimensions, weight, power consumption, mechanical robustness and radiation hardness. In this paper, we present a design of a high-sensitivity differential dual species 85Rb/87Rb atom interferometer for space, including physics package, laser system, electronics and software. The physics package comprises the atom source consisting of dispensers and a 2D magneto-optical trap (MOT), the science chamber with a 3D-MOT, a magnetic trap based on an atom chip and an optical dipole trap (ODT) used for Bose-Einstein condensate (BEC) creation and interferometry, the detection unit, the vacuum system for 10-11 mbar ultra-high vacuum generation, and the high-suppression factor magnetic shielding as well as the thermal control system. The laser system is based on a hybrid approach using fiber-based telecom components and high-power laser diode technology and includes all laser sources for 2D-MOT, 3D-MOT, ODT, interferometry and detection. Manipulation and switching of the laser beams is carried out on an optical bench using Zerodur bonding technology. The instrument consists of 9 units with an overall mass of 221 kg, an average power consumption of 608 W (814 W peak), and a volume of 470 liters which would well fit on a satellite to be launched with a Soyuz rocket, as system studies have shown.

Ion implantation of solar cell junctions without mass analysis

NASA Technical Reports Server (NTRS)

Fitzgerald, D.; Tonn, D. G.

1981-01-01

This paper is a summary of an investigation to determine the feasibility of producing solar cells by means of ion implantation without the use of mass analysis. Ion implants were performed using molecular and atomic phosphorus produced by the vaporization of solid red phosphorus and ionized in an electron bombardment source. Solar cell junctions were ion implanted by mass analysis of individual molecular species and by direct unanalyzed implants from the ion source. The implant dose ranged from 10 to the 14th to 10 to the 16th atoms/sq cm and the energy per implanted atom ranged from 5 KeV to 40 KeV in this study.

The nuclear size and mass effects on muonic hydrogen-like atoms embedded in Debye plasma

NASA Astrophysics Data System (ADS)

Poszwa, A.; Bahar, M. K.; Soylu, A.

2016-10-01

Effects of finite nuclear size and finite nuclear mass are investigated for muonic atoms and muonic ions embedded in the Debye plasma. Both nuclear charge radii and nuclear masses are taken into account with experimentally determined values. In particular, isotope shifts of bound state energies, radial probability densities, transition energies, and binding energies for several atoms are studied as functions of Debye length. The theoretical model based on semianalytical calculations, the Sturmian expansion method, and the perturbative approach has been constructed, in the nonrelativistic frame. For some limiting cases, the comparison with previous most accurate literature results has been made.

Vibrational and Electronic Energy Transfer and Dissociation of Diatomic Molecules by Electron Collisions

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

At high altitudes and velocities equal to or greater than the geosynchronous return velocity (10 kilometers per second), the shock layer of a hypersonic flight will be in thermochemical nonequilibrium and partially ionized. The amount of ionization is determined by the velocity. For a trans atmospheric flight of 10 kilometers per second and at an altitude of 80 kilometers, a maximum of 1% ionization is expected. At a velocity of 12 - 17 kilometer per second, such as a Mars return mission, up to 30% of the atoms and molecules in the flow field will be ionized. Under those circumstances, electrons play an important role in determining the internal states of atoms and molecules in the flow field and hence the amount of radiative heat load and the distance it takes for the flow field to re-establish equilibrium. Electron collisions provide an effective means of transferring energy even when the electron number density is as low as 1%. Because the mass of an electron is 12,760 times smaller than the reduced mass of N2, its average speed, and hence its average collision frequency, is more than 100 times larger. Even in the slightly ionized regime with only 1% electrons, the frequency of electron-molecule collisions is equal to or larger than that of molecule-molecule collisions, an important consideration in the low density part of the atmosphere. Three electron-molecule collision processes relevant to hypersonic flows will be considered: (1) vibrational excitation/de-excitation of a diatomic molecule by electron impact, (2) electronic excitation/de-excitation, and (3) dissociative recombination in electron-diatomic ion collisions. A review of available data, both theory and experiment, will be given. Particular attention will be paid to tailoring the molecular physics to the condition of hypersonic flows. For example, the high rotational temperatures in a hypersonic flow field means that most experimental data carried out under room temperatures are not applicable. Also, the average electron temperature is expected to be between 10,000 and 20,000 K. Thus only data for low energy electrons are relevant to the model.

Gas Mass Tracers in Protoplanetary Disks: CO is Still the Best

NASA Astrophysics Data System (ADS)

Molyarova, Tamara; Akimkin, Vitaly; Semenov, Dmitry; Henning, Thomas; Vasyunin, Anton; Wiebe, Dmitri

2017-11-01

Protoplanetary disk mass is a key parameter controlling the process of planetary system formation. CO molecular emission is often used as a tracer of gas mass in the disk. In this study, we consider the ability of CO to trace the gas mass over a wide range of disk structural parameters, and we search for chemical species that could possibly be used as alternative mass tracers to CO. Specifically, we apply detailed astrochemical modeling to a large set of models of protoplanetary disks around low-mass stars to select molecules with abundances correlated with the disk mass and being relatively insensitive to other disk properties. We do not consider sophisticated dust evolution models, restricting ourselves to the standard astrochemical assumption of 0.1 μm dust. We find that CO is indeed the best molecular tracer for total gas mass, despite the fact that it is not the main carbon carrier, provided reasonable assumptions about CO abundance in the disk are used. Typically, chemical reprocessing lowers the abundance of CO by a factor of 3, compared to the case where photodissociation and freeze-out are the only ways of CO depletion. On average, only 13% C atoms reside in gas-phase CO, albeit with variations from 2% to 30%. CO2, H2O, and H2CO can potentially serve as alternative mass tracers, with the latter two only applicable if disk structural parameters are known.

Electron impact fragmentation of thymine: partial ionization cross sections for positive fragments

NASA Astrophysics Data System (ADS)

van der Burgt, Peter J. M.; Mahon, Francis; Barrett, Gerard; Gradziel, Marcin L.

2014-06-01

We have measured mass spectra for positive ions for low-energy electron impact on thymine using a reflectron time-of-flight mass spectrometer. Using computer controlled data acquisition, mass spectra have been acquired for electron impact energies up to 100 eV in steps of 0.5 eV. Ion yield curves for most of the fragment ions have been determined by fitting groups of adjacent peaks in the mass spectra with sequences of normalized Gaussians. The ion yield curves have been normalized by comparing the sum of the ion yields to the average of calculated total ionization cross sections. Appearance energies have been determined. The nearly equal appearance energies of 83 u and 55 u observed in the present work strongly indicate that near threshold the 55 u ion is formed directly by the breakage of two bonds in the ring, rather than from a successive loss of HNCO and CO from the parent ion. Likewise 54 u is not formed by CO loss from 82 u. The appearance energies are in a number of cases consistent with the loss of one or more hydrogen atoms from a heavier fragment, but 70 u is not formed by hydrogen loss from 71 u.

Quantification of evaporation induced error in atom probe tomography using molecular dynamics simulation.

PubMed

Chen, Shu Jian; Yao, Xupei; Zheng, Changxi; Duan, Wen Hui

2017-11-01

Non-equilibrium molecular dynamics was used to simulate the dynamics of atoms at the atom probe surface and five objective functions were used to quantify errors. The results suggested that before ionization, thermal vibration and collision caused the atoms to displace up to 1Å and 25Å respectively. The average atom displacements were found to vary between 0.2 and 0.5Å. About 9 to 17% of the atoms were affected by collision. Due to the effects of collision and ion-ion repulsion, the back-calculated positions were on average 0.3-0.5Å different from the pre-ionized positions of the atoms when the number of ions generated per pulse was minimal. This difference could increase up to 8-10Å when 1.5ion/nm 2 were evaporated per pulse. On the basis of the results, surface ion density was considered an important factor that needed to be controlled to minimize error in the evaporation process. Copyright © 2017. Published by Elsevier B.V.

Atomic Force Microscopy Thermally-Assisted Microsampling with Atmospheric Pressure Temperature Ramped Thermal Desorption/Ionization-Mass Spectrometry Analysis

DOE PAGES

Hoffmann, William D.; Kertesz, Vilmos; Srijanto, Bernadeta R.; ...

2017-02-20

The use of atomic force microscopy controlled nano-thermal analysis probes for reproducible spatially resolved thermally-assisted sampling of micrometer-sized areas (ca. 11 m 17 m wide 2.4 m deep) from relatively low number average molecular weight (M n < 3000) polydisperse thin films of poly(2-vinylpyridine) (P2VP) is presented. Following sampling, the nano-thermal analysis probes were moved up from the surface and the probe temperature ramped to liberate the sampled materials into the gas phase for atmospheric pressure chemical ionization and mass spectrometric analysis. Furthermore, the procedure and mechanism for material pickup, the sampling reproducibility and sampling size are discussed and themore » oligomer distribution information available from slow temperature ramps versus ballistic temperature jumps is presented. For the M n = 970 P2VP, the Mn and polydispersity index determined from the mass spectrometric data were in line with both the label values from the sample supplier and the value calculated from the simple infusion of a solution of polymer into the commercial atmospheric pressure chemical ionization source on this mass spectrometer. With a P2VP sample of higher Mn (M n = 2070 and 2970), intact oligomers were still observed (as high as m/z 2793 corresponding to the 26-mer), but a significant abundance of thermolysis products were also observed. In addition, the capability for confident identification of the individual oligomers by slowly ramping the probe temperature and collecting data dependent tandem mass spectra was also demonstrated. We also discuss the material type limits to the current sampling and analysis approach as well as possible improvements in nano-thermal analysis probe design to enable smaller area sampling and to enable controlled temperature ramps beyond the present upper limit of about 415°C.« less

Atomic Force Microscopy Thermally-Assisted Microsampling with Atmospheric Pressure Temperature Ramped Thermal Desorption/Ionization-Mass Spectrometry Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffmann, William D.; Kertesz, Vilmos; Srijanto, Bernadeta R.

The use of atomic force microscopy controlled nano-thermal analysis probes for reproducible spatially resolved thermally-assisted sampling of micrometer-sized areas (ca. 11 m 17 m wide 2.4 m deep) from relatively low number average molecular weight (M n < 3000) polydisperse thin films of poly(2-vinylpyridine) (P2VP) is presented. Following sampling, the nano-thermal analysis probes were moved up from the surface and the probe temperature ramped to liberate the sampled materials into the gas phase for atmospheric pressure chemical ionization and mass spectrometric analysis. Furthermore, the procedure and mechanism for material pickup, the sampling reproducibility and sampling size are discussed and themore » oligomer distribution information available from slow temperature ramps versus ballistic temperature jumps is presented. For the M n = 970 P2VP, the Mn and polydispersity index determined from the mass spectrometric data were in line with both the label values from the sample supplier and the value calculated from the simple infusion of a solution of polymer into the commercial atmospheric pressure chemical ionization source on this mass spectrometer. With a P2VP sample of higher Mn (M n = 2070 and 2970), intact oligomers were still observed (as high as m/z 2793 corresponding to the 26-mer), but a significant abundance of thermolysis products were also observed. In addition, the capability for confident identification of the individual oligomers by slowly ramping the probe temperature and collecting data dependent tandem mass spectra was also demonstrated. We also discuss the material type limits to the current sampling and analysis approach as well as possible improvements in nano-thermal analysis probe design to enable smaller area sampling and to enable controlled temperature ramps beyond the present upper limit of about 415°C.« less

Equivalent chain lengths of all C4-C23 saturated monomethyl branched fatty acid methyl esters on methylsilicone OV-1 stationary phase.

PubMed

Kubinec, Róbert; Blaško, Jaroslav; Górová, Renáta; Addová, Gabriela; Ostrovský, Ivan; Amann, Anton; Soják, Ladislav

2011-04-01

Isomer mixtures of monomethyl branched saturated C7-C23 fatty acid methyl esters (FAME) were prepared by performing a methylene insertion reaction to the straight chain FAME and this study model was completed by using commercially available standards of C4-C7 FAME. The equivalent chain lengths (ECL) of all 220 C4-C23 monomethyl branched FAME on OV-1 stationary phase were measured, achieving an average repeatability of ±0.0004 ECL units. The monomethyl branched FAME was identified by GC on the basis of regularity of the fractional chain lengths (FCL) dependence on the number of carbon atoms (C(z)) of individual homologous series of methyl 2-, 3-, …, 21-FAME. The prediction of retention of the first homologues, having the new position of methyl group beginning at higher carbon atoms number, and analogously for the second, third, fourth, and other members of the homologous series, allowed the dependence FCL=f(C(z)) for the first and subsequent members of beginning homologous of monomethyl derivatives of FAME. The identification was confirmed by mass spectrometry. All of the methyl isomers of FAME, which could not be completely separated by gas chromatography due to having a methyl group in surroundings of the middle of the carbon chain, were resolved by mass spectrometry using deconvolution in a SIM-mode. Measured gas chromatographic and mass spectrometric data were applied for identification of the monomethyl branched saturated FAME in tongue coating. Copyright © 2011 Elsevier B.V. All rights reserved.

Photochemical escape of oxygen from Mars: First results from MAVEN in situ data

NASA Astrophysics Data System (ADS)

Lillis, Robert J.; Deighan, Justin; Fox, Jane L.; Bougher, Stephen W.; Lee, Yuni; Combi, Michael R.; Cravens, Thomas E.; Rahmati, Ali; Mahaffy, Paul R.; Benna, Mehdi; Elrod, Meredith K.; McFadden, James P.; Ergun, Robert. E.; Andersson, Laila; Fowler, Christopher M.; Jakosky, Bruce M.; Thiemann, Ed; Eparvier, Frank; Halekas, Jasper S.; Leblanc, François; Chaufray, Jean-Yves

2017-03-01

Photochemical escape of atomic oxygen is thought to be one of the dominant channels for Martian atmospheric loss today and played a potentially major role in climate evolution. Mars Atmosphere and Volatile Evolution Mission (MAVEN) is the first mission capable of measuring, in situ, the relevant quantities necessary to calculate photochemical escape fluxes. We utilize 18 months of data from three MAVEN instruments: Langmuir Probe and Waves, Neutral Gas and Ion Mass Spectrometer, and SupraThermal And Thermal Ion Composition. From these data, we calculate altitude profiles of the production rate of hot oxygen atoms from the dissociative recombination of O2+ and the probability that such atoms will escape the Mars atmosphere. From this, we determine escape fluxes for 815 periapsis passes. Derived average dayside hot O escape rates range from 1.2 to 5.5 × 1025 s-1, depending on season and EUV flux, consistent with several pre-MAVEN predictions and in broad agreement with estimates made with other MAVEN measurements. Hot O escape fluxes do not vary significantly with dayside solar zenith angle or crustal magnetic field strength but depend on CO2 photoionization frequency with a power law whose exponent is 2.6 ± 0.6, an unexpectedly high value which may be partially due to seasonal and geographic sampling. From this dependence and historical EUV measurements over 70 years, we estimate a modern-era average escape rate of 4.3 × 1025 s-1. Extrapolating this dependence to early solar system, EUV conditions gives total losses of 13, 49, 189, and 483 mbar of oxygen over 1-3 and 3.5 Gyr, respectively, with uncertainties significantly increasing with time in the past.

Composition measurements of the topside ionosphere.

PubMed

Hoffman, J H

1967-01-20

Data from a magnetic mass spectrometer flown on the Explorer 31 satellite show that the ionosphere above 1000 kilometers usually consists of hydrogen ions as the predominant species. Between this altitude and perigee (500 kilometers) the dominant ion species shifts to atomic oxygen, with a significant amount of atomic nitrogen ions also present. Helium ions are present in small quantities at all altitudes. Other minor ions observed are those of 2, 7, 8, 15, 18, and 20 atomic mass units.

Polymeric spatial resolution test patterns for mass spectrometry imaging using nano-thermal analysis with atomic force microscopy

DOE PAGES

Tai, Tamin; Kertesz, Vilmos; Lin, Ming -Wei; ...

2017-05-11

As the spatial resolution of mass spectrometry imaging technologies has begun to reach into the nanometer regime, finding readily available or easily made resolution reference materials has become particularly challenging for molecular imaging purposes. This study describes the fabrication, characterization and use of vertical line array polymeric spatial resolution test patterns for nano-thermal analysis/atomic force microscopy/mass spectrometry chemical imaging.

Polymeric spatial resolution test patterns for mass spectrometry imaging using nano-thermal analysis with atomic force microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tai, Tamin; Kertesz, Vilmos; Lin, Ming -Wei

As the spatial resolution of mass spectrometry imaging technologies has begun to reach into the nanometer regime, finding readily available or easily made resolution reference materials has become particularly challenging for molecular imaging purposes. This study describes the fabrication, characterization and use of vertical line array polymeric spatial resolution test patterns for nano-thermal analysis/atomic force microscopy/mass spectrometry chemical imaging.

On the emergence of molecular structure from atomic shape in the 1/r2 harmonium model.

PubMed

Müller-Herold, Ulrich

2006-01-07

The formal similarity of the three-body Hamiltonians for helium and the hydrogen molecule ion is used to demonstrate the unfolding of a rotating dumbbell-like proton distribution from a (1s)2-type electron distribution by smooth variation of the particles' masses in the 1/r2 harmonium model. The 1/r2 harmonium is an exactly solvable modification of the harmonium model (also known as Hooke's law atom) where the attraction between different particles is harmonic and the repulsion between the two equal particles is given by a 1/r2 potential. The dumbbell-like molecular structure appears as an expression of increasing spatial correlation due to increasing mass. It gradually appears in the one-density distribution of the two equal particles if their mass exceeds a critical value depending on the mass of the third particle. For large mass of the equal particles, their one-density distribution approaches an asymptotic form derived from the Born-Oppenheimer treatment of H2+ in the 1/r2 harmonium model. Below the critical value, the one density is a spherical, Gaussian-type atomic density distribution with a maximum at the center of mass. The topological transition at the critical value separates molecular structure and atomic shape as two qualitatively different manifestations of spatial structure.

High-precision Penning trap mass measurements of 9,10Be and the one-neutron halo nuclide 11Be

NASA Astrophysics Data System (ADS)

Ringle, R.; Brodeur, M.; Brunner, T.; Ettenauer, S.; Smith, M.; Lapierre, A.; Ryjkov, V. L.; Delheij, P.; Drake, G. W. F.; Lassen, J.; Lunney, D.; Dilling, J.

2009-05-01

Penning trap mass measurements of 9Be, 10Be (t1 / 2 = 1.51 My), and the one-neutron halo nuclide 11Be (t1 / 2 = 13.8 s) have been performed using TITAN at TRIUMF. The resulting 11Be mass excess (ME = 20 177.60 (58) keV) is in agreement with the current Atomic Mass Evaluation (AME03) [G. Audi, et al., Nucl. Phys. A 729 (2003) 337] value, but is over an order of magnitude more precise. The precision of the mass values of 9,10Be have been improved by about a factor of four and reveal a ≈ 2 σ deviation from the AME mass values. Results of new atomic physics calculations are presented for the isotope shift of 11Be relative to 9Be, and it is shown that the new mass values essentially remove atomic mass uncertainties as a contributing factor in determining the relative nuclear charge radius from the isotope shift. The new mass values of 10,11Be also allow for a more precise determination of the single-neutron binding energy of the halo neutron in 11Be.

Comparison of the Atomic Oxygen Erosion Depth and Cone Height of Various Materials at Hyperthermal Energy

NASA Technical Reports Server (NTRS)

Waters, Deborah L.; Banks, Bruce A.; Thorson, Stephen D.; deGroh, Kim, K.; Miller, Sharon K.

2007-01-01

Atomic oxygen readily reacts with most spacecraft polymer materials exposed to the low Earth orbital (LEO) environment. If the atomic oxygen arrival comes from a fixed angle of impact, the resulting erosion will foster the development of a change in surface morphology as material thickness decreases. Hydrocarbon and halopolymer materials, as well as graphite, are easily oxidized and textured by directed atomic oxygen in LEO at energies of approx.4.5 eV. What has been curious is that the ratio of cone height to erosion depth is quite different for different materials. The formation of cones under fixed direction atomic oxygen attack may contribute to a reduction in material tensile strength in excess of that which would occur if the cone height to erosion depth ratio was very low because of greater opportunities for crack initiation. In an effort to understand how material composition affects the ratio of cone height to erosion depth, an experimental investigation was conducted on 18 different materials exposed to a hyperthermal energy directed atomic oxygen source (approx.70 eV). The materials were first salt-sprayed to provide microscopic local areas that would be protected from atomic oxygen. This allowed erosion depth measurements to be made by scanning microscopy inspection. The polymers were then exposed to atomic oxygen produced by an end Hall ion source that was operated on pure oxygen. Samples were exposed to an atomic oxygen effective fluence of 1.0x10(exp 20) atoms/sq cm based on Kapton H polyimide erosion. The average erosion depth and average cone height were determined using field emission scanning electron microscopy (FESEM). The experimental ratio of average cone height to erosion depth is compared to polymer composition and other properties.

Iodine-129 measurements in soil samples from Dolon village near the Semipalatinsk nuclear test site.

PubMed

Endo, Satoru; Tomita, Junpei; Tanaka, Kenichi; Yamamoto, Masayoshi; Fukutani, Satoshi; Imanaka, Tetsuji; Sakaguchi, Aya; Amano, Hikaru; Kawamura, Hidehisa; Kawamura, Hisao; Apsalikov, Kazbek N; Gusev, Boris I; Whitehead, Neil E; Shinkarev, Sergey; Hoshi, Masaharu

2008-07-01

Dolon village, located about 60 km from the border of the Semipalatinsk nuclear test site, is known to be heavily contaminated by the first USSR atomic bomb test in August 1949. Soil samples around Dolon were taken in October 2005 in an attempt to evaluate internal thyroid dose arising from incorporation of radioiodine isotopes (mainly (131)I). Iodine-129 in soil was measured by using the technique of accelerator mass spectrometry. The (129)I/(127)I atom ratios measured were in the range from 3.3 x 10(-9) to 3.3 x 10(-7). These values were within the range of the current background level ( approximately 10(-9) to 10(-7)) in the environment, including contributions from the global fallout of atmospheric nuclear tests and local fallout of nuclear facilities. The (129)I atom accumulated level in soil ranged from 1.28 x 10(13) to 1.59 x 10(14) atoms m(-2), the average (8.0 x 10(13)) of which was higher than the background level of (2-5) x 10(13). From the relationship between (129)I and( 137)Cs (corrected for background and decay from 1949 to 2005) accumulated levels, the background level of (129)I and the (129)I/(137)Cs ratio around Dolon were estimated to be (6.4 +/- 0.4) x 10(13) atoms m(-2) and 0.25 +/- 0.16, respectively. This (129)I/(137)Cs ratio is almost similar to the fission yield ratio for (239)Pu fast fission (0.24).

Surface Geometry and Chemistry of Hydrothermally Synthesized Single Crystal Thorium Dioxide

DTIC Science & Technology

2015-03-01

meeting the larger goals. I appreciate Dr. McClory’s skeptical views and critical thinking that kept me from straying into scientific error. I...Secondary Ion Mass Spectrometry .....................20 UPS ......................Ultraviolet Photoemission Spectrometry...19 M1/M2 ................... Mass of atom 1 and atom 2 ..........................................................18 Mm ........................Molar

NNDC Tools and Publications

Science.gov Websites

Site Index NNDC Tools and Publications Nuclear Structure and Decay Tools Nuclear Reaction Tools Nuclear Structure and Decay Tools 2016 Atomic Mass Evaluation Atomic mass evaluation, by Wang, Audi values as a function of gamma energy and multipolarity. Calculations based on I.M. Band and S. Raman

The AME2016 atomic mass evaluation (I). Evaluation of input data; and adjustment procedures

NASA Astrophysics Data System (ADS)

Huang, W. J.; Audi, G.; Wang, Meng; Kondev, F. G.; Naimi, S.; Xu, Xing

2017-03-01

This paper is the first of two articles (Part I and Part II) that presents the results of the new atomic mass evaluation, AME2016. It includes complete information on the experimental input data (also including unused and rejected ones), as well as details on the evaluation procedures used to derive the tables of recommended values given in the second part. This article describes the evaluation philosophy and procedures that were implemented in the selection of specific nuclear reaction, decay and mass-spectrometric results. These input values were entered in the least-squares adjustment for determining the best values for the atomic masses and their uncertainties. Details of the calculation and particularities of the AME are then described. All accepted and rejected data, including outweighted ones, are presented in a tabular format and compared with the adjusted values obtained using the least-squares fit analysis. Differences with the previous AME2012 evaluation are discussed and specific information is presented for several cases that may be of interest to AME users. The second AME2016 article gives a table with the recommended values of atomic masses, as well as tables and graphs of derived quantities, along with the list of references used in both the AME2016 and the NUBASE2016 evaluations (the first paper in this issue). AMDC: http://amdc.impcas.ac.cn/ Contents The AME2016 atomic mass evaluation (I). Evaluation of input data; and adjustment proceduresAcrobat PDF (1.2 MB) Table I. Input data compared with adjusted valuesAcrobat PDF (1.3 MB)

Atomic bomb health benefits.

PubMed

Luckey, T D

2008-01-01

Media reports of deaths and devastation produced by atomic bombs convinced people around the world that all ionizing radiation is harmful. This concentrated attention on fear of miniscule doses of radiation. Soon the linear no threshold (LNT) paradigm was converted into laws. Scientifically valid information about the health benefits from low dose irradiation was ignored. Here are studies which show increased health in Japanese survivors of atomic bombs. Parameters include decreased mutation, leukemia and solid tissue cancer mortality rates, and increased average lifespan. Each study exhibits a threshold that repudiates the LNT dogma. The average threshold for acute exposures to atomic bombs is about 100 cSv. Conclusions from these studies of atomic bomb survivors are: One burst of low dose irradiation elicits a lifetime of improved health.Improved health from low dose irradiation negates the LNT paradigm.Effective triage should include radiation hormesis for survivor treatment.

L1 Korean and L1 Mandarin L2 English Learners' Acquisition of the Count/Mass Distinction in English

ERIC Educational Resources Information Center

Choi, Sea Hee; Ionin, Tania; Zhu, Yeqiu

2018-01-01

This study investigates the second language (L2) acquisition of the English count/mass distinction by speakers of Korean and Mandarin Chinese, with a focus on the semantics of atomicity. It is hypothesized that L1-Korean and L1-Mandarin L2-English learners are influenced by atomicity in the use of the count/mass morphosyntax in English. This…

Reaction Mechanism of Oxygen Atoms with Unsaturated Hydrocarbons by the Crossed-Molecular-Beams Method

DOE R&D Accomplishments Database

Buss, R. J.; Baseman, R. J.; Guozhong, H.; Lee, Y. T.

1982-04-01

From a series of studies of the reaction of oxygen atoms with unsaturated hydrocarbons using the crossed molecular beam method, the dominant reaction mechanisms were found to be the simple substitution reactions with oxygen atoms replacing H, Cl, Br atom or alkyl groups. Complication due to secondary reaction was avoided by carrying out experiments under single collisions and observing primary products directly. Primary products were identified by measuring the angular and velocity distributions of products at all the mass numbers which could be detected by the mass spectrometer, and from comparison of these distributions, applying the requirement of energy and momentum conservation.

Mass content of ultrahigh-energy cosmic rays within different time periods

NASA Astrophysics Data System (ADS)

Glushkov, A. V.

2014-03-01

Estimates obtained for the average atomic number of nuclei of primary particles with energies in the region of E 0 ⩾ 1015 eV over the past 36 years at the Yakutsk array and other arrays worldwide for studying extensive air showers are presented. It is shown that these estimates are markedly different with in different time periods. Earlier than 1996, the composition of cosmic rays in the energy range of 5 × 1015-1018 eV was markedly lighter than in later years. After 2008, there appeared a trend toward a decrease in . This is likely to be a manifestation of some explosive process in the Milky Way Galaxy after 1996.

SCATTERING OF SLOW NEUTRONS FROM PROPANE GAS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strong, K.A.; Marshall, G.D.; Brugger, R.M.

1962-02-01

Measurements of the partial differential neutron scattering cross sections for room-temperature propane gas are reported. These measurements were made at incident energies of 0.0l01, 0.0254, 0.0736, and 0.102 ev at seven scattering angles between 16.3 and 84.7 deg using the Materials Testing Reactor phased chopper velocity selector. The data are convented to the scattering-law presentation and compared with three theoretical calculations: The ideal gas, using an effective mass obtained from an average of the mass tensors for the three types of H atoms in propane, gives poor agreement. The Krieger-Nelkin approximation, which includes the effect of zero-point vibrations, gives limitedmore » agreement for energy transfer less than 0.5 k/sub b/T at intermediate momentum transfers. At large momentum transfers where vibrational effects become important it underestimates the cross section. A modification of the Krieger- Nelkin theory that includes the effects of single-quantum transitions from the three lowest vibratlonal states gives better agreement. The discrepancies still present at large momentum and energy transfers are attributed to an uncertainty in the methylgroup barrier height for the three lowest energy modes, to the harmonlc oscillator approximation for these modes, and to the approximate molecular orientation averaging used in the calculation. (auth)« less

Prediction of purification of biopharmeceuticals with molecular dynamics

NASA Astrophysics Data System (ADS)

Ustach, Vincent; Faller, Roland

Purification of biopharmeceuticals remains the most expensive part of protein-based drug production. In ion exchange chromatography (IEX), prediction of the elution ionic strength of host cell and target proteins has the potential to reduce the parameter space for scale-up of protein production. The complex shape and charge distribution of proteins and pores complicates predictions of the interactions in these systems. All-atom molecular dynamics methods are beyond the scope of computational limits for mass transport regimes. We present a coarse-grained model for proteins for prediction of elution pH and ionic strength. By extending the raspberry model for colloid particles to surface shapes and charge distributions of proteins, we can reproduce the behavior of proteins in IEX. The average charge states of titratatable amino acid residues at relevant pH values are determined by extrapolation from all-atom molecular dynamics at pH 7. The pH specific all-atom electrostatic field is then mapped onto the coarse-grained surface beads of the raspberry particle. The hydrodynamics are reproduced with the lattice-Boltzmann scheme. This combination of methods allows very long simulation times. The model is being validated for known elution procedures by comparing the data with experiments. Defense Threat Reduction Agency (Grant Number HDTRA1-15-1-0054).

Fast atom bombardment mass spectrometry of condensed tannin sulfonate derivatives

Treesearch

J.J. Karchesy; L.Y. Foo; Richard W. Hemingway; E. Barofsky; D.F. Barofsky

1989-01-01

Condensed tannin sulfonate derivatives were studied by fast atom bombardment mass spectrometry (FAB-MS) to assess the feasibility of using this technique for determining molecular weight and structural information about these compounds. Both positive- and negative-ion spectra provided useful data with regard to molecular weight, cation species present, and presence of...

Effective atomic numbers and electron density of dosimetric material

PubMed Central

Kaginelli, S. B.; Rajeshwari, T.; Sharanabasappa; Kerur, B. R.; Kumar, Anil S.

2009-01-01

A novel method for determination of mass attenuation coefficient of x-rays employing NaI (Tl) detector system and radioactive sources is described.in this paper. A rigid geometry arrangement and gating of the spectrometer at FWHM position and selection of absorber foils are all done following detailed investigation, to minimize the effect of small angle scattering and multiple scattering on the mass attenuation coefficient, μ/ρ, value. Firstly, for standardization purposes the mass attenuation coefficients of elemental foils such as Aluminum, Copper, Molybdenum, Tantalum and Lead are measured and then, this method is utilized for dosimetric interested material (sulfates). The experimental mass attenuation coefficient values are compared with the theoretical values to find good agreement between the theory and experiment within one to two per cent. The effective atomic numbers of the biological substitute material are calculated by sum rule and from the graph. The electron density of dosimetric material is calculated using the effective atomic number. The study has discussed in detail the attenuation coefficient, effective atomic number and electron density of dosimetric material/biological substitutes. PMID:20098566

An introduction to mass cytometry: fundamentals and applications.

PubMed

Tanner, Scott D; Baranov, Vladimir I; Ornatsky, Olga I; Bandura, Dmitry R; George, Thaddeus C

2013-05-01

Mass cytometry addresses the analytical challenges of polychromatic flow cytometry by using metal atoms as tags rather than fluorophores and atomic mass spectrometry as the detector rather than photon optics. The many available enriched stable isotopes of the transition elements can provide up to 100 distinguishable reporting tags, which can be measured simultaneously because of the essential independence of detection provided by the mass spectrometer. We discuss the adaptation of traditional inductively coupled plasma mass spectrometry to cytometry applications. We focus on the generation of cytometry-compatible data and on approaches to unsupervised multivariate clustering analysis. Finally, we provide a high-level review of some recent benchmark reports that highlight the potential for massively multi-parameter mass cytometry.

Effect of Sb content on the physical properties of Ge-Se-Te chalcogenide glasses

NASA Astrophysics Data System (ADS)

Vashist, Priyanka; Anjali, Patial, Balbir Singh; Thakur, Nagesh

2018-05-01

In the present study, the bulk as-(Se80Te20)94-xGe6Sbx (x = 0, 1, 2, 4, 6, 8) glasses were synthesized using melt quenching technique. The physical properties viz coordination number, lone pair of electrons, number of constraints, glass transition temperature, mean bond energy, cohesive energy, electro-negativity and average heat of atomization of the investigated composition are reported and discussed. It is inferred that on increasing Sb content; average coordination number, average number of constraints, mean bond energy, cohesive energy and glass transition temperature increases but lone pair of electrons, average heat of atomization and deviation of stoichiometry decreases.

Self-consistent average-atom scheme for electronic structure of hot and dense plasmas of mixture.

PubMed

Yuan, Jianmin

2002-10-01

An average-atom model is proposed to treat the electronic structures of hot and dense plasmas of mixture. It is assumed that the electron density consists of two parts. The first one is a uniform distribution with a constant value, which is equal to the electron density at the boundaries between the atoms. The second one is the total electron density minus the first constant distribution. The volume of each kind of atom is proportional to the sum of the charges of the second electron part and of the nucleus within each atomic sphere. By this way, one can make sure that electrical neutrality is satisfied within each atomic sphere. Because the integration of the electron charge within each atom needs the size of that atom in advance, the calculation is carried out in a usual self-consistent way. The occupation numbers of electron on the orbitals of each kind of atom are determined by the Fermi-Dirac distribution with the same chemical potential for all kinds of atoms. The wave functions and the orbital energies are calculated with the Dirac-Slater equations. As examples, the electronic structures of the mixture of Au and Cd, water (H2O), and CO2 at a few temperatures and densities are presented.

Variations in Pu isotopic composition in soils from the Spitsbergen (Norway): Three potential pollution sources of the Arctic region.

PubMed

Łokas, E; Anczkiewicz, R; Kierepko, R; Mietelski, J W

2017-07-01

Although the polar regions have not been industrialised, numerous contaminants originating from human activity are detectable in the Arctic environment. This study reports evidence of 240 Pu/ 239 Pu atomic ratios in the tundra and initial soils from different parts of west and central Spitsbergen and recognizes possible environmental inputs of non-global fallout Pu. The average atomic ratio of 240 Pu/ 239 Pu equal to 0.179 (ranging between 0.129 and 0.201) in tundra soils are comparable to the characteristic ratio for global fallout (0.180). However, the 240 Pu/ 239 Pu atomic ratios in the initial soils from proglacial zone of glaciers change within wide range between 0.1281 and 0.234 with the mean value of 0.169. By combining alpha and mass spectrometry, the three-sources model was used to identify the Pu sources in initial soils. Our study indicated that the main source of Pu is nuclear tests and that a second source with lower Pu ratio may come from weapons grade Pu (unexploded weapons grade Pu ie. material from bomb which didn't undergo nuclear explosions for example for security tests). Additionally, we found samples with high 238 Pu/ 239+240 Pu activity ratios and with typical global fallout 240 Pu/ 239 Pu atomic ratios, which are associated with separate sources of pure 238 Pu from the SNAP-9A satellite burn up in the atmosphere. Copyright © 2017 Elsevier Ltd. All rights reserved.

Evaluation of Solute Clusters Associated with Bake-Hardening Response in Isothermal Aged Al-Mg-Si Alloys Using a Three-Dimensional Atom Probe

NASA Astrophysics Data System (ADS)

Aruga, Yasuhiro; Kozuka, Masaya; Takaki, Yasuo; Sato, Tatsuo

2014-12-01

Temporal changes in the number density, size distribution, and chemical composition of clusters formed during natural aging at room temperature and pre-aging at 363 K (90 °C) in an Al-0.62Mg-0.93Si (mass pct) alloy were evaluated using atom probe tomography. More than 10 million atoms were examined in the cluster analysis, in which about 1000 clusters were obtained for each material after various aging treatments. The statistically proven records show that both number density and the average radius of clusters in pre-aged materials are larger than in naturally aged materials. It was revealed that the fraction of clusters with a low Mg/Si ratio after natural aging for a short time is higher than with other aging treatments, regardless of cluster size. This indicates that Si-rich clusters form more easily after short-period natural aging, and that Mg atoms can diffuse into the clusters or possibly form another type of Mg-Si cluster after prolonged natural aging. The formation of large clusters with a uniform Mg/Si ratio is encouraged by pre-aging. It can be concluded that an increase of small clusters with various Mg/Si ratios does not promote the bake-hardening (BH) response, whereas large clusters with a uniform Mg/Si ratio play an important role in hardening during the BH treatment at 443 K (170 °C).

Single-Atom Catalyst of Platinum Supported on Titanium Nitride for Selective Electrochemical Reactions.

PubMed

Yang, Sungeun; Kim, Jiwhan; Tak, Young Joo; Soon, Aloysius; Lee, Hyunjoo

2016-02-05

As a catalyst, single-atom platinum may provide an ideal structure for platinum minimization. Herein, a single-atom catalyst of platinum supported on titanium nitride nanoparticles were successfully prepared with the aid of chlorine ligands. Unlike platinum nanoparticles, the single-atom active sites predominantly produced hydrogen peroxide in the electrochemical oxygen reduction with the highest mass activity reported so far. The electrocatalytic oxidation of small organic molecules, such as formic acid and methanol, also exhibited unique selectivity on the single-atom platinum catalyst. A lack of platinum ensemble sites changed the reaction pathway for the oxygen-reduction reaction toward a two-electron pathway and formic acid oxidation toward direct dehydrogenation, and also induced no activity for the methanol oxidation. This work demonstrates that single-atom platinum can be an efficient electrocatalyst with high mass activity and unique selectivity. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of Al-Impurity Type on Formation Energy, Crystal Structure, Electronic Structure, and Optical Properties of ZnO by Using Density Functional Theory and the Hubbard-U Method.

PubMed

Wu, Hsuan-Chung; Chen, Hsing-Hao; Zhu, Yu-Ren

2016-08-01

We systematically investigated the effects of Al-impurity type on the formation energy, crystal structure, charge density, electronic structure, and optical properties of ZnO by using density functional theory and the Hubbard-U method. Al-related defects, such as those caused by the substitution of Zn and O atoms by Al atoms (Al s(Zn) and Al s(O) , respectively) and the presence of an interstitial Al atom at the center of a tetrahedron (Al i(tet) ) or an octahedron (Al i(oct) ), and various Al concentrations were evaluated. The calculated formation energy follows the order E f (Al s(Zn) ) < E f (Al i(tet) ) < E f (Al i(oct) ) < E f (Al s(O) ). Electronic structure analysis showed that the Al s(Zn) , Al s(O) , Al i(tet) , and Al i(oct) models follow n -type conduction, and the optical band gaps are higher than that of pure ZnO. The calculated carrier concentrations of the Al s(O) and Al i(tet) /Al i(oct) models are higher than that of the Al s(Zn) model. However, according to the curvature of the band structure, the occurrence of interstitial Al atoms or the substitution of O atoms by Al atoms results in a high effective mass, possibly reducing the carrier mobility. The average transmittance levels in the visible light and ultraviolet (UV) regions of the Al s(Zn) model are higher than those of pure ZnO. However, the presence of an interstitial Al atom within the ZnO crystal reduces transmittance in the visible light region; Al s(O) substantially reduces the transmittance in the visible light and UV regions. In addition, the properties of ZnO doped with various Al s(Zn) concentrations were analyzed.

The Effects of Rare Earth Doping on Gallium Nitride Thin Films

DTIC Science & Technology

2011-09-01

MAW Molar mass . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 Microscopic nuclear cross...container) is ∼ 770 nm−2 s−1 [8]. When compared to an unmoderated, unshielded hypothetical mass of 5 kg of 94% enriched 239Pu (weapons grade) at a...emission of a doubly-ionized helium atom ( 4 2He 2+ ) , or alpha particle, as A ZX −→ A-4Z-2Y + 42He2+ + Q , (4) where A represents the atomic mass or the

Determination of the direct double- β -decay Q value of Zr 96 and atomic masses of Zr 90 - 92 , 94 , 96 and Mo 92 , 94 - 98 , 100

DOE PAGES

Gulyuz, K.; Ariche, J.; Bollen, G.; ...

2015-05-06

Experimental searches for neutrinoless double-β decay offer one of the best opportunities to look for physics beyond the standard model. Detecting this decay would confirm the Majorana nature of the neutrino, and a measurement of its half-life can be used to determine the absolute neutrino mass scale. Important to both tasks is an accurate knowledge of the Q value of the double-β decay. The LEBIT Penning trap mass spectrometer was used for the first direct experimental determination of the ⁹⁶Zr double-β decay Q value: Q ββ=3355.85(15) keV. This value is nearly 7 keV larger than the 2012 Atomic Mass Evaluationmore » [M. Wang et al., Chin. Phys. C 36, 1603 (2012)] value and one order of magnitude more precise. The 3-σ shift is primarily due to a more accurate measurement of the ⁹⁶Zr atomic mass: m(⁹⁶Zr)=95.90827735(17) u. Using the new Q value, the 2νββ-decay matrix element, |M 2ν|, is calculated. Improved determinations of the atomic masses of all other zirconium ( 90-92,94,96Zr) and molybdenum ( 92,94-98,100Mo) isotopes using both ¹²C₈ and ⁸⁷Rb as references are also reported.« less

Principles determining the structure of high-pressure forms of metals: The structures of cesium(IV) and cesium(V)

PubMed Central

Pauling, Linus

1989-01-01

Consideration of the relation between bond length and bond number and the average atomic volume for different ways of packing atoms leads to the conclusion that the average ligancy of atoms in a metal should increase when a phase change occurs on increasing the pressure. Minimum volume for each value of the ligancy results from triangular coordination polyhedra (with triangular faces), such as the icosahedron and the Friauf polyhedron. Electron transfer may permit atoms of an element to assume different ligancies. Application of these principles to Cs(IV) and Cs(V), which were previously assigned structures with ligancy 8 and 6, respectively, has led to the assignment to Cs(IV) of a primitive cubic unit cell with a = 16.11 Å and with about 122 atoms in the cube and to Cs(V) of a primitive cubic unit cell resembling that of Mg32(Al,Zn)49, with a = 16.97 Å and with 162 atoms in the cube. PMID:16578839

The interaction of excited He, Ar and Ne metastable atoms with the CF2Cl2 molecule

NASA Astrophysics Data System (ADS)

Cherid, M.; Ben Arfa, M.; Driss Khodja, M.

2004-02-01

We studied Penning ionization of the CF2Cl2 molecule by neon and helium metastable atoms. In the case of the neon ionizing particle, we measured the electron kinetic energy as well as mass spectra; for helium metastable atoms, only the mass spectrum was recorded. We, therefore, obtained the branching ratios for the heavy charged particles produced in both interactions. In this report we will discuss the mechanism involved in the production of metastable halogen atoms in the dielectric barrier discharge further to the use of rare gases/CF2Cl2 mixtures. We show that this process needs a two-stage reaction. Ground state free halogen atoms are formed over the first stage by Penning ionization, charge transfer, dissociate excitation and ionization. Therefore, metastable halogen atoms can be produced by excitation transfer process in the second stage through interaction with metastable rare gas atoms. This paper is dedicated to Professor F M E Tuffin on the occasion of his retirement.

Determination of atomic hydrogen in non-thermal hydrogen plasmas by means of molecular beam threshold ionization mass spectrometry.

PubMed

Wang, Wei-Guo; Xu, Yong; Yang, Xue-Feng; Wang, Wen-Chun; Zhu, Ai-Min

2005-01-01

Atomic hydrogen plays important roles in chemical vapor deposition of functional materials, plasma etching and new approaches to chemical synthesis of hydrogen-containing compounds. The present work reports experimental determinations of atomic hydrogen near the grounded electrode in medium-pressure dielectric barrier discharge hydrogen plasmas by means of molecular beam threshold ionization mass spectrometry (MB-TIMS). At certain discharge conditions (a.c. frequency of 24 kHz, 28 kV of peak-to-peak voltage), the measured hydrogen dissociation fraction is decreased from approximately 0.83% to approximately 0.14% as the hydrogen pressure increases from 2.0 to 14.0 Torr. A simulation method for extraction of the approximate electron beam energy distribution function in the mass spectrometer ionizer and a semi-quantitative approach to calibrate the mass discrimination effect caused by the supersonic beam formation and the mass spectrometer measurement are reported. Copyright 2005 John Wiley & Sons, Ltd.

Influence of average ion energy and atomic oxygen flux per Si atom on the formation of silicon oxide permeation barrier coatings on PET

NASA Astrophysics Data System (ADS)

Mitschker, F.; Wißing, J.; Hoppe, Ch; de los Arcos, T.; Grundmeier, G.; Awakowicz, P.

2018-04-01

The respective effect of average incorporated ion energy and impinging atomic oxygen flux on the deposition of silicon oxide (SiO x ) barrier coatings for polymers is studied in a microwave driven low pressure discharge with additional variable RF bias. Under consideration of plasma parameters, bias voltage, film density, chemical composition and particle fluxes, both are determined relative to the effective flux of Si atoms contributing to film growth. Subsequently, a correlation with barrier performance and chemical structure is achieved by measuring the oxygen transmission rate (OTR) and by performing x-ray photoelectron spectroscopy. It is observed that an increase in incorporated energy to 160 eV per deposited Si atom result in an enhanced cross-linking of the SiO x network and, therefore, an improved barrier performance by almost two orders of magnitude. Furthermore, independently increasing the number of oxygen atoms to 10 500 per deposited Si atom also lead to a comparable barrier improvement by an enhanced cross-linking.

The Nominal/Generic Specific Heat per Average Atom Concept for CHNO Energetic Materials

DTIC Science & Technology

2006-07-01

Heat Per Average Atom for TATB. RDX . TNT. HMX . and HNS... HMX can exist in different solid polymorphic forms. At a certain temperature, TT, one form may change to another form if the heat energy of...densities ( p. ) up to, and including, crystals at TMD for TNT, RDX , HMX , and TATB. The presently proposed N/G CP magnitude, in certain temperature

The Atomic Mass Evaluation (AME2012): Status and Perspectives

NASA Astrophysics Data System (ADS)

Kondev, F. G.; Audi, G.; Wang, M.; Xu, X.; Wapstra, A. H.; MacCormick, M.; Pfeiffer, B.

2013-10-01

The atomic mass is a fundamental property of the nucleus that has wide applications in natural sciences and technology. The new evaluated mass table, AME2012, has been recently published as a collaborative effort between scientists from China, Europe and USA, under the leadership of G. Audi. It represents a significant update of the previous AME2003 evaluation by considering a large number of precise experimental results obtained at existing Penning Trap and Storage Ring facilities, thus expending the region of experimentally known masses towards exotic neutron- and proton-rich nuclei. Since the presence of isomers plays an important role in determining the masses of many nuclei, a complementary database, NUBASE2012, that contains the isomer-level properties for all nuclei was also developed. This presentation will briefly review recent achievements of the collaboration, present on-going activities, and reflect on ideas for future developments and challenges in the field of evaluation of atomic masses. The work at ANL was supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357.

SU-C-BRC-05: Monte Carlo Calculations to Establish a Simple Relation of Backscatter Dose Enhancement Around High-Z Dental Alloy to Its Atomic Number

DOE Office of Scientific and Technical Information (OSTI.GOV)

Utsunomiya, S; Kushima, N; Katsura, K

Purpose: To establish a simple relation of backscatter dose enhancement around a high-Z dental alloy in head and neck radiation therapy to its average atomic number based on Monte Carlo calculations. Methods: The PHITS Monte Carlo code was used to calculate dose enhancement, which is quantified by the backscatter dose factor (BSDF). The accuracy of the beam modeling with PHITS was verified by comparing with basic measured data namely PDDs and dose profiles. In the simulation, a high-Z alloy of 1 cm cube was embedded into a tough water phantom irradiated by a 6-MV (nominal) X-ray beam of 10 cmmore » × 10 cm field size of Novalis TX (Brainlab). The ten different materials of high-Z alloys (Al, Ti, Cu, Ag, Au-Pd-Ag, I, Ba, W, Au, Pb) were considered. The accuracy of calculated BSDF was verified by comparing with measured data by Gafchromic EBT3 films placed at from 0 to 10 mm away from a high-Z alloy (Au-Pd-Ag). We derived an approximate equation to determine the relation of BSDF and range of backscatter to average atomic number of high-Z alloy. Results: The calculated BSDF showed excellent agreement with measured one by Gafchromic EBT3 films at from 0 to 10 mm away from the high-Z alloy. We found the simple linear relation of BSDF and range of backscatter to average atomic number of dental alloys. The latter relation was proven by the fact that energy spectrum of backscatter electrons strongly depend on average atomic number. Conclusion: We found a simple relation of backscatter dose enhancement around high-Z alloys to its average atomic number based on Monte Carlo calculations. This work provides a simple and useful method to estimate backscatter dose enhancement from dental alloys and corresponding optimal thickness of dental spacer to prevent mucositis effectively.« less

Atomic Bomb Health Benefits

PubMed Central

Luckey, T. D.

2008-01-01

Media reports of deaths and devastation produced by atomic bombs convinced people around the world that all ionizing radiation is harmful. This concentrated attention on fear of miniscule doses of radiation. Soon the linear no threshold (LNT) paradigm was converted into laws. Scientifically valid information about the health benefits from low dose irradiation was ignored. Here are studies which show increased health in Japanese survivors of atomic bombs. Parameters include decreased mutation, leukemia and solid tissue cancer mortality rates, and increased average lifespan. Each study exhibits a threshold that repudiates the LNT dogma. The average threshold for acute exposures to atomic bombs is about 100 cSv. Conclusions from these studies of atomic bomb survivors are: One burst of low dose irradiation elicits a lifetime of improved health.Improved health from low dose irradiation negates the LNT paradigm.Effective triage should include radiation hormesis for survivor treatment. PMID:19088902

A high flux source of swift oxygen atoms

NASA Technical Reports Server (NTRS)

Fink, M.; Kohl, D. A.; Keto, J. W.; Antoniewicz, P.

1987-01-01

A source of swift oxygen atoms is described which has several unique features. A high current ion beam is produced by a microwave discharge, accelerated to 10 keV and the mass selected by a modified Du Pont 21-110 mass spectrometer. The O(+) beam exciting the mass spectrometer is focused into a rectangular shape with an energy spread of less than 1 eV. The next section of the machine decelerates the ion beam into a counterpropagating electron beam in order to minimize space charge effects. After deceleration, the ion beam intersects at 90 deg, a neutral oxygen atom beam, which via resonant charge exchange produces a mixture of O(+) and O. Any remaining O(+) are swept out of the beam by an electric field and differentially pumped away while the desired O beam, collimated by slits, impinges on the target. In situ monitoring of the target surface is done by X-ray photoelectron or Auger spectroscopy. Faraday cups provide flux measurements in the ion sections while the neutral flux is determined by a special torsion balance or by a quadrupole mass spectrometer specially adapted for swift atoms. While the vacuum from the source through the mass spectrometer is maintained by diffusion pumps, the rest of the machine is UHV.

Sympathetic cooling of a membrane oscillator in a hybrid mechanical-atomic system

NASA Astrophysics Data System (ADS)

Jöckel, Andreas; Faber, Aline; Kampschulte, Tobias; Korppi, Maria; Rakher, Matthew T.; Treutlein, Philipp

2015-01-01

Sympathetic cooling with ultracold atoms and atomic ions enables ultralow temperatures in systems where direct laser or evaporative cooling is not possible. It has so far been limited to the cooling of other microscopic particles, with masses up to 90 times larger than that of the coolant atom. Here, we use ultracold atoms to sympathetically cool the vibrations of a Si3N4 nanomembrane, the mass of which exceeds that of the atomic ensemble by a factor of 1010. The coupling of atomic and membrane vibrations is mediated by laser light over a macroscopic distance and is enhanced by placing the membrane in an optical cavity. We observe cooling of the membrane vibrations from room temperature to 650 ± 230 mK, exploiting the large atom-membrane cooperativity of our hybrid optomechanical system. With technical improvements, our scheme could provide ground-state cooling and quantum control of low-frequency oscillators such as nanomembranes or levitated nanoparticles, in a regime where purely optomechanical techniques cannot reach the ground state.

Teaching Avogadro's Hypothesis and Helping Students to See the World Differently

ERIC Educational Resources Information Center

Criswell, Brett

2008-01-01

Within the historical context of the development of chemistry, Avogadro's hypothesis represents a fundamental concept: It allowed Avogadro to explain Gay-Lussac's law of combining volumes and it allowed Cannizzaro to establish a more accurate set of atomic mass values. If students are going to understand the concept of relative atomic masses and…

The Atomic Mass Unit, the Avogadro Constant, and the Mole: A Way to Understanding

ERIC Educational Resources Information Center

Baranski, Andrzej

2012-01-01

Numerous articles have been published that address problems encountered in teaching basic concepts of chemistry such as the atomic mass unit, Avogadro's number, and the mole. The origin of these problems is found in the concept definitions. If these definitions are adjusted for teaching purposes, understanding could be improved. In the present…

A Fifth Force: Generalized through Superconductors

NASA Technical Reports Server (NTRS)

Robertson, Glen A.

1999-01-01

The connection between the Biefield-Brown Effect, the recent repeat of the 1902 Trouton-Noble (TN) experiments, and the gravity shielding experiments was explored. This connection is visualized through high capacitive electron concentrations. From this connection, a theory is proposed that connects mass energy to gravity and a fifth force. The theory called the Gravi-Atomic Energy theory presents two new terms: Gravi-atomic energy and quantum vacuum pressure (QVP). Gravi-atomic energy is defined as the radiated mass energy, which acts on vacuum energy to create a QVP about a mass, resulting in gravity and the fifth force. The QVP emission from a superconductor was discussed followed by the description of a test for QVP from a superconductor using a Cavendish balance.

Spectral analysis of fundamental signal and noise performances in photoconductors for mammography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Ho Kyung; Lim, Chang Hwy; Tanguay, Jesse

2012-05-15

Purpose: This study investigates the fundamental signal and noise performance limitations imposed by the stochastic nature of x-ray interactions in selected photoconductor materials, such as Si, a-Se, CdZnTe, HgI{sub 2}, PbI{sub 2}, PbO, and TlBr, for x-ray spectra typically used in mammography. Methods: It is shown how Monte Carlo simulations can be combined with a cascaded model to determine the absorbed energy distribution for each combination of photoconductor and x-ray spectrum. The model is used to determine the quantum efficiency, mean energy absorption per interaction, Swank noise factor, secondary quantum noise, and zero-frequency detective quantum efficiency (DQE). Results: The quantummore » efficiency of materials with higher atomic number and density demonstrates a larger dependence on convertor thickness than those with lower atomic number and density with the exception of a-Se. The mean deposited energy increases with increasing average energy of the incident x-ray spectrum. HgI{sub 2}, PbI{sub 2}, and CdZnTe demonstrate the largest increase in deposited energy with increasing mass loading and a-Se and Si the smallest. The best DQE performances are achieved with PbO and TlBr. For mass loading greater than 100 mg cm{sup -2}, a-Se, HgI{sub 2}, and PbI{sub 2} provide similar DQE values to PbO and TlBr. Conclusions: The quantum absorption efficiency, average deposited energy per interacting x-ray, Swank noise factor, and detective quantum efficiency are tabulated by means of graphs which may help with the design and selection of materials for photoconductor-based mammography detectors. Neglecting the electrical characteristics of photoconductor materials and taking into account only x-ray interactions, it is concluded that PbO shows the strongest signal-to-noise ratio performance of the materials investigated in this study.« less

Linear electric field time-of-flight ion mass spectrometer

DOEpatents

Funsten, Herbert O [Los Alamos, NM; Feldman, William C [Los Alamos, NM

2008-06-10

A linear electric field ion mass spectrometer having an evacuated enclosure with means for generating a linear electric field located in the evacuated enclosure and means for injecting a sample material into the linear electric field. A source of pulsed ionizing radiation injects ionizing radiation into the linear electric field to ionize atoms or molecules of the sample material, and timing means determine the time elapsed between ionization of atoms or molecules and arrival of an ion out of the ionized atoms or molecules at a predetermined position.

Ergodic properties of the multidimensional rayleigh gas with a semipermeable barrier

NASA Astrophysics Data System (ADS)

Erdős, L.; Tuyen, D. Q.

1990-06-01

We consider a multidimensional system consisting of a particle of mass M and radius r (molecule), surrounded by an infinite ideal gas of point particles of mass m (atoms). The molecule is confined to the unit ball and interacts with its boundary ( barrier) via elastic collision, while the atoms are not affected by the boundary. We obtain convergence to equilibrium for the molecule from almost every initial distribution on its position and velocity. Furthermore, we prove that the infinite composite system of the molecule and the atoms is Bernoulli.

Mass spectrometric identification of Au68(SR)34 molecular gold nanoclusters with 34-electron shell closing.

PubMed

Dass, Amala

2009-08-26

The molecular formula Au(68)(SCH(2)CH(2)Ph)(34) has been assigned to the 14 kDa nanocluster using MALDI-TOF mass spectrometry. The 34-electron shell closing in a macroscopically obtained thiolated gold nanocluster is demonstrated. The Au(68) nanocluster is predicted to have a 49 atom Marks decahedral core with 19 inner core atoms and 30 outer atoms chelating with the staple motifs. The nanoclusters' predicted formulation is [Au](19+30) [Au(SR)(2)](11) [Au(2)(SR)(3)](4).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mount, Brianna J.; Redshaw, Matthew; Myers, Edmund G.

By fitting the Dunham-Watson model to extensive rotational and vibrational spectroscopic data of isotopic variants of CO, and by using existing precise masses of {sup 13}C,{sup 16}O, and {sup 18}O from Penning-trap mass spectrometry, we determine the atomic mass of {sup 17}O to be M[{sup 17}O]=16.999 131 644(30) u, where the uncertainty is purely statistical. Using Penning-trap mass spectrometry, we have also directly determined the atomic mass of {sup 17}O with the more precise result M[{sup 17}O]=16.999 131 756 6(9) u. The Dunham-Watson model applied to the molecular spectroscopic data hence predicts the mass of {sup 17}O to better thanmore » 1 part in 10{sup 8}.« less

Comparison of microdosimetry-based absorbed doses to control tumours and clinically obtained tumour absorbed doses in treatments with ²²³Ra.

PubMed

Minguez Gabina, Pablo; Roeske, John C; Mínguez, Ricardo; Gomez de Iturriaga, Alfonso; Rodeño, Emilia

2018-06-20

We performed Monte Carlo simulations in order to determine by means of microdosimetry calculations the average number of hits to the cell nucleus required to reach a tumour control probability (TCP) of 0.9, 〈n_0.9 〉, for the source geometry of a nucleus embedded in a homogeneous distribution of ²²³Ra atoms. From the results obtained and following the MIRD methodology, we determined the values of lesion absorbed doses needed to reach a TCP of 0.9, D_0.9, for different values of mass density, cell radiosensitivity, nucleus radius and lesion volume. The greatest variation of those absorbed doses occurred with cell radiosensitivity and no dependence was found on mass density. The source geometry used was chosen because we aimed to compare the values of D_0.9 with the lesion absorbed doses obtained from image-based macrodosimetry in treatments of metastatic castration-resistant prostate cancer with ²²³Ra which were obtained assuming a homogeneous distribution of ²²³Ra atoms within the lesion. In a comparison with a study including 29 lesions, results showed that even for the case of the most radiosensitive cells simulated, 45% of the lesions treated following a schedule of two cycles of 110 kBq/kg body mass would receive absorbed doses below the values of D_0.9 determined in this study. © 2018 Institute of Physics and Engineering in Medicine.

Operation of the computer model for microenvironment atomic oxygen exposure

NASA Technical Reports Server (NTRS)

Bourassa, R. J.; Gillis, J. R.; Gruenbaum, P. E.

1995-01-01

A computer model for microenvironment atomic oxygen exposure has been developed to extend atomic oxygen modeling capability to include shadowing and reflections. The model uses average exposure conditions established by the direct exposure model and extends the application of these conditions to treat surfaces of arbitrary shape and orientation.

Evidence for day-to-night ion transport at low solar activity in the Venus pre-dawn ionosphere

NASA Technical Reports Server (NTRS)

Brannon, J. F.; Fox, J. L.; Porter, H. S.

1993-01-01

Periapsis of the Pioneer Venus (PV) spacecraft dropped below 180 km on August 28, 1992 near midnight, and 42 orbits of low altitude data at moderately low solar activity in the pre-dawn sector were obtained before contact was lost to the spacecraft in October, 1992. Through a combination of analysis of data from the PV orbiter ion mass spectrometer (OIMS) and modeling, we consider here what can be learned about the relative importance of plasma transport from the dayside and electron precipitation in maintaining the nightside ionosphere during the re-entry period. In particular, we examine here the atomic ion density profiles. We compute the average peak density of O(+) as a function of solar zenith angle and determine what fluxes of atomic ions or precipitating electrons would be necessary to produce those values. We then compare model calculations of the ion densities to those observed during the re-entry period. We find that the low solar activity nightside ionosphere shows evidence of significant day-to-night plasma transport.

Evidence for Day-to-Night Ion Transport at Low Solar Activity in the Venus Pre-Dawn Ionosphere

NASA Technical Reports Server (NTRS)

Brannon, J. F.; Fox, J. L.; Porter, H. S.

1993-01-01

Periapsis of the Pioneer Venus spacecraft dropped below 180 km on August 28, 1992 near midnight, and 42 orbits of low altitude data at moderately low solar activity in the pre-dawn sector were obtained before contact was lost to the spacecraft in October, 1992. Through a combination of analysis of data from the PV orbiter ion mass spectrometer (OIMS) and modeling, we consider here what can be learned about the relative importance of plasma transport from the dayside and electron precipitation in maintaining the nightside ionosphere during the re-entry period. In particular, we examine here the atomic ion density profiles. We compute the average peak density of O(+) as a function of solar zenith angle and determine what fluxes of atomic ions or precipitating electrons would be necessary to produce those values. We then compare model calculations of the ion densities to those observed during the re-entry period. We find that the low solar activity nightside ionosphere shows evidence of significant day-to-night plasma transport.

Evidence for Day-to-Night Ion Transport at Low Solar Activity in the Venus Pre-Dawn Ionosphere

NASA Technical Reports Server (NTRS)

Brannon, J. F.; Fox, J. L.; Porter, H. S.

1993-01-01

Periapsis of the Pioneer Venus spacecraft 2 dropped below 180 km on August 28, 1992 near midnight, and 42 orbits of low altitude data at moderately low solar activity in the pre-dawn sector were obtained before contact was lost to the spacecraft in October, 1992. Through a combination of analysis of data from the PV orbiter ion mass spectrometer (OIMS) and modeling, we consider here what can be learned about the relative importance of plasma transport from the dayside and electron precipitation in maintaining the nightside ionosphere during the re-entry period. In particular, we examine here the atomic ion density profiles. We compute the average peak density of O(+) as a function of solar zenith angle and determine what fluxes of atomic ions or precipitating electrons would he necessary to produce those values. We then compare model calculations of the ion densities to those observed during the re-entry period. We find that the low solar activity nightside ionosphere shows evidence of significant day-to-night plasma transport.

Effects of isoconcentration surface threshold values on the characteristics of needle-shaped precipitates in atom probe tomography data from an aged Al-Mg-Si alloy.

PubMed

Aruga, Yasuhiro; Kozuka, Masaya

2016-04-01

Needle-shaped precipitates in an aged Al-0.62Mg-0.93Si (mass%) alloy were identified using a compositional threshold method, an isoconcentration surface, in atom probe tomography (APT). The influence of thresholds on the morphological and compositional characteristics of the precipitates was investigated. Utilizing optimum parameters for the concentration space, a reliable number density of the precipitates is obtained without dependence on the elemental concentration threshold in comparison with evaluation by transmission electron microscopy (TEM). It is suggested that careful selection of the concentration space in APT can lead to a reasonable average Mg/Si ratio for the precipitates. It was found that the maximum length and maximum diameter of the precipitates are affected by the elemental concentration threshold. Adjustment of the concentration threshold gives better agreement with the precipitate dimensions measured by TEM. © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Nuclear Matter Properties with the Re-evaluated Coefficients of Liquid Drop Model

NASA Astrophysics Data System (ADS)

Chowdhury, P. Roy; Basu, D. N.

2006-06-01

The coefficients of the volume, surface, Coulomb, asymmetry and pairing energy terms of the semiempirical liquid drop model mass formula have been determined by furnishing best fit to the observed mass excesses. Slightly different sets of the weighting parameters for liquid drop model mass formula have been obtained from minimizations of \\chi 2 and mean square deviation. The most recent experimental and estimated mass excesses from Audi-Wapstra-Thibault atomic mass table have been used for the least square fitting procedure. Equation of state, nuclear incompressibility, nuclear mean free path and the most stable nuclei for corresponding atomic numbers, all are in good agreement with the experimental results.

Compact hydrogen/helium isotope mass spectrometer

DOEpatents

Funsten, Herbert O.; McComas, David J.; Scime, Earl E.

1996-01-01

The compact hydrogen and helium isotope mass spectrometer of the present invention combines low mass-resolution ion mass spectrometry and beam-foil interaction technology to unambiguously detect and quantify deuterium (D), tritium (T), hydrogen molecule (H.sub.2, HD, D.sub.2, HT, DT, and T.sub.2), .sup.3 He, and .sup.4 He concentrations and concentration variations. The spectrometer provides real-time, high sensitivity, and high accuracy measurements. Currently, no fieldable D or molecular speciation detectors exist. Furthermore, the present spectrometer has a significant advantage over traditional T detectors: no confusion of the measurements by other beta-emitters, and complete separation of atomic and molecular species of equivalent atomic mass (e.g., HD and .sup.3 He).

Control of atomic transition rates via laser-light shaping

NASA Astrophysics Data System (ADS)

Jáuregui, R.

2015-04-01

A modular systematic analysis of the feasibility of modifying atomic transition rates by tailoring the electromagnetic field of an external coherent light source is presented. The formalism considers both the center of mass and internal degrees of freedom of the atom, and all properties of the field: frequency, angular spectrum, and polarization. General features of recoil effects for internal forbidden transitions are discussed. A comparative analysis of different structured light sources is explicitly worked out. It includes spherical waves, Gaussian beams, Laguerre-Gaussian beams, and propagation invariant beams with closed analytical expressions. It is shown that increments in the order of magnitude of the transition rates for Gaussian and Laguerre-Gaussian beams, with respect to those obtained in the paraxial limit, require waists of the order of the wavelength, while propagation invariant modes may considerably enhance transition rates under more favorable conditions. For transitions that can be naturally described as modifications of the atomic angular momentum, this enhancement is maximal (within propagation invariant beams) for Bessel modes, Mathieu modes can be used to entangle the internal and center-of-mass involved states, and Weber beams suppress this kind of transition unless they have a significant component of odd modes. However, if a recoil effect of the transition with an adequate symmetry is allowed, the global transition rate (center of mass and internal motion) can also be enhanced using Weber modes. The global analysis presented reinforces the idea that a better control of the transitions between internal atomic states requires both a proper control of the available states of the atomic center of mass, and shaping of the background electromagnetic field.

The DTIC Review: Volume 2, Number 4, Surviving Chemical and Biological Warfare

DTIC Science & Technology

1996-12-01

CHROMATOGRAPHIC ANALYSIS, NUCLEAR MAGNETIC RESONANCE, INFRARED SPECTROSCOPY , ARMY RESEARCH, DEGRADATION, VERIFICATION, MASS SPECTROSCOPY , LIQUID... mycotoxins . Such materials are not attractive as weapons of mass destruction however, as large amounts are required to produce lethal effects. In...VERIFICATION, ATOMIC ABSORPTION SPECTROSCOPY , ATOMIC ABSORPTION. AL The DTIC Review Defense Technical Information Center AD-A285 242 AD-A283 754 EDGEWOOO

Precise Measurements of the Masses of Cs, Rb and Na A New Route to the Fine Structure Constant

NASA Astrophysics Data System (ADS)

Rainville, Simon; Bradley, Michael P.; Porto, James V.; Thompson, James K.; Pritchard, David E.

2001-01-01

We report new values for the atomic masses of the alkali 133Cs, 87Rb, 85Rb, and 23Na with uncertainties ≤ 0.2 ppb. These results, obtained using Penning trap single ion mass spectrometry, are typically two orders of magnitude more accurate than previously measured values. Combined with values of h/m atom from atom interferometry measurements and accurate wavelength measurements for different atoms, these values will lead to new ppb-level determinations of the molar Planck constant N A h and the fine structure constant α. This route to α is based on simple physics. It can potentially achieve the several ppb level of accuracy needed to test the QED determination of α extracted from measurements of the electron g factor. We also demonstrate an electronic cooling technique that cools our detector and ion below the 4 K ambient temperature. This technique improves by about a factor of three our ability to measure the ion's axial motion.

Discrimination of ionic species from broad-beam ion sources

NASA Technical Reports Server (NTRS)

Anderson, J. R.

1993-01-01

The performance of a broad-beam, three-grid, ion extraction system incorporating radio frequency (RF) mass discrimination was investigated experimentally. This testing demonstrated that the system, based on a modified single-stage Bennett mass spectrometer, can discriminate between ionic species having about a 2-to-1 mass ratio while producing a broad-beam of ions with low kinetic energy (less than 15 eV). Testing was conducted using either argon and krypton ions or atomic and diatomic oxygen ions. A simple one-dimensional model, which ignores magnetic field and space-charge effects, was developed to predict the species separation capabilities as well as the kinetic energies of the extracted ions. The experimental results correlated well with the model predictions. This RF mass discrimination system can be used in applications where both atomic and diatomic ions are produced, but a beam of only one of the species is desired. An example of such an application is a 5 eV atomic oxygen source. This source would produce a beam of atomic oxygen with 5 eV kinetic energy, which would be directed onto a material specimen, to simulate the interaction between the surface of a satellite and the rarefied atmosphere encountered in low-Earth orbit.

Radon flux at King George Island, Antarctic Peninsula.

PubMed

Evangelista, H; Pereira, E B

2002-01-01

Fluxes of 222Rn from the ice-free terrain to the atmosphere were measured directly, for the first time, at the Brazilian Antarctic Station Ferraz during the summer field campaign of 1998/99. Average value for the flux was 7.7 +/- 4.8 x 10(-2) atoms cm(-2) s(-1) and it ranged between 0.21 x 10(-2) atoms cm(-2) s(-1) and 28 x l0(-2) atoms cm(-2) s(-1). The average flux of 220Rn was estimated to be 23 atoms cm(-2) s(-1), using a combination of two techniques: nuclear track detection and alpha spectrometry of radon daughters. It was found that the production of radon by uranium (41.54 + /-7.17 Bq kg(-1)) and thorium (57.97 +/- 12.14 Bq kg(-1)) equivalent soil contents, and a diffusion coefficient derived from experimental data for the local terrain could account for this average flux. Nevertheless, the large surges of 222Rn in the atmosphere frequently observed for that area could not be explained by this flux only.

Sources and atmospheric processing of winter aerosols in Seoul, Korea: insights from real-time measurements using a high-resolution aerosol mass spectrometer

NASA Astrophysics Data System (ADS)

Kim, Hwajin; Zhang, Qi; Bae, Gwi-Nam; Kim, Jin Young; Bok Lee, Seung

2017-02-01

Highly time-resolved chemical characterization of nonrefractory submicrometer particulate matter (NR-PM1) was conducted in Seoul, the capital and largest metropolis of Korea, using an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS). The measurements were performed during winter, when elevated particulate matter (PM) pollution events are often observed. This is the first time that detailed real-time aerosol measurement results have been reported from Seoul, Korea, and they reveal valuable insights into the sources and atmospheric processes that contribute to PM pollution in this region. The average concentration of submicron aerosol (PM1 = NR-PM1+ black carbon (BC)) was 27.5 µg m-3, and the total mass was dominated by organics (44 %), followed by nitrate (24 %) and sulfate (10 %). The average atomic ratios of oxygen to carbon (O / C), hydrogen to carbon (H / C), and nitrogen to carbon (N / C) of organic aerosols (OA) were 0.37, 1.79, and 0.018, respectively, which result in an average organic mass-to-carbon (OM / OC) ratio of 1.67. The concentrations (2.6-90.7 µg m-3) and composition of PM1 varied dynamically during the measurement period due to the influences of different meteorological conditions, emission sources, and air mass origins. Five distinct sources of OA were identified via positive matrix factorization (PMF) analysis of the HR-ToF-AMS data: vehicle emissions represented by a hydrocarbon-like OA factor (HOA, O / C = 0.06), cooking activities represented by a cooking OA factor (COA, O / C = 0.14), wood combustion represented by a biomass burning OA factor (BBOA, O / C = 0.34), and secondary organic aerosol (SOA) represented by a semivolatile oxygenated OA factor (SV-OOA, O / C = 0.56) and a low-volatility oxygenated OA factor (LV-OOA, O / C = 0.68). On average, primary OA (POA = HOA + COA + BBOA) accounted for 59 % the OA mass, whereas SV-OOA and LV-OOA contributed 15 and 26 %, respectively. Our results indicate that air quality in Seoul during winter is influenced strongly by secondary aerosol formation, with sulfate, nitrate, ammonium, SV-OOA, and LV-OOA together accounting for 64 % of the PM1 mass during this study. However, aerosol sources and composition were found to be significantly different between clean and polluted periods. During stagnant periods with low wind speed (WS) and high relative humidity (RH), PM concentration was generally high (average ±1σ = 43.6 ± 12.4 µg m-3) with enhanced fractions of nitrate (27 %) and SV-OOA (8 %), which suggested a strong influence from local production of secondary aerosol. Low-PM loading periods (12.6 ± 7.1 µg m-3) tended to occur under higher-WS and lower-RH conditions and appeared to be more strongly influenced by regional air masses, as indicated by higher mass fractions of sulfate (12 %) and LV-OOA (20 %) in PM1. Overall, our results indicate that PM pollutants in urban Korea originate from complex emission sources and atmospheric processes and that their concentrations and composition are controlled by various factors, including meteorological conditions, local anthropogenic emissions, and upwind sources.

Effects of the crustal magnetic fields on the Martian atmospheric ion escape rate

NASA Astrophysics Data System (ADS)

Ramstad, Robin; Barabash, Stas; Futaana, Yoshifumi; Nilsson, Hans; Holmström, Mats

2016-10-01

Eight years (2007-2015) of ion flux measurements from Mars Express are used to statistically investigate the influence of the Martian magnetic crustal fields on the atmospheric ion escape rate. We combine all Analyzer of Space Plasmas and Energetic Atoms/Ion Mass Analyzer (ASPERA-3/IMA) measurements taken during nominal upstream solar wind and solar extreme ultraviolet conditions to compute global average ion distribution functions, individually for the north/south hemispheres and for varying solar zenith angles (SZAs) of the strongest crustal magnetic field. Escape rates are subsequently calculated from each of the average distribution functions. The maximum escape rate (4.2 ± 1.2) × 1024s-1 is found for SZA = 60°-80°, while the minimum escape rate (1.7 ± 0.6) × 1024s-1 is found for SZA = 28°-60°, showing that the dayside orientation of the crustal fields significantly affects the global escape rate (p = 97%). However, averaged over time, independent of SZA, we find no statistically significant difference in the escape rates from the two hemispheres (escape from southern hemisphere 46% ± 18% of global rate).

Determination of the direct double-β -decay Q value of 96Zr and atomic masses of Zr 90 -92 ,94 ,96 and Mo 92 ,94 -98 ,100

NASA Astrophysics Data System (ADS)

Gulyuz, K.; Ariche, J.; Bollen, G.; Bustabad, S.; Eibach, M.; Izzo, C.; Novario, S. J.; Redshaw, M.; Ringle, R.; Sandler, R.; Schwarz, S.; Valverde, A. A.

2015-05-01

Experimental searches for neutrinoless double-β decay offer one of the best opportunities to look for physics beyond the standard model. Detecting this decay would confirm the Majorana nature of the neutrino, and a measurement of its half-life can be used to determine the absolute neutrino mass scale. Important to both tasks is an accurate knowledge of the Q value of the double-β decay. The LEBIT Penning trap mass spectrometer was used for the first direct experimental determination of the 96Zr double-β decay Q value: Qβ β=3355.85 (15 ) keV. This value is nearly 7 keV larger than the 2012 Atomic Mass Evaluation [M. Wang et al., Chin. Phys. C 36, 1603 (2012), 10.1088/1674-1137/36/12/003] value and one order of magnitude more precise. The 3-σ shift is primarily due to a more accurate measurement of the 96Zr atomic mass: m (96Zr ) =95.908 277 35 (17 ) u. Using the new Q value, the 2 ν β β -decay matrix element, | M2 ν| , is calculated. Improved determinations of the atomic masses of all other zirconium (Zr 90 -92 ,94 ,96 ) and molybdenum (92 ,94 -98 ,100Mo ) isotopes using both 12C8 and 87Rb as references are also reported.

Isolating and moving single atoms using silicon nanocrystals

DOEpatents

Carroll, Malcolm S.

2010-09-07

A method is disclosed for isolating single atoms of an atomic species of interest by locating the atoms within silicon nanocrystals. This can be done by implanting, on the average, a single atom of the atomic species of interest into each nanocrystal, and then measuring an electrical charge distribution on the nanocrystals with scanning capacitance microscopy (SCM) or electrostatic force microscopy (EFM) to identify and select those nanocrystals having exactly one atom of the atomic species of interest therein. The nanocrystals with the single atom of the atomic species of interest therein can be sorted and moved using an atomic force microscope (AFM) tip. The method is useful for forming nanoscale electronic and optical devices including quantum computers and single-photon light sources.

Pursuit of the Kramers-Henneberger atom

NASA Astrophysics Data System (ADS)

Wei, Qi; Wang, Pingxiao; Kais, Sabre; Herschbach, Dudley

2017-09-01

Superstrong femtosecond pulsed lasers can profoundly alter electronic structure of atoms and molecules. The oscillating laser field drives one or more electrons almost free. When averaged over, the rapid oscillations combine with the static Coulomb potential to create an effective binding potential. The consequent array of bound states comprises the ;Kramers-Henneberger Atom;. Theorists have brought forth many properties of KH atoms, yet convincing experimental evidence is meager. We examine a remarkable experiment accelerating atoms (Eichmann et al., 2009). It offers tantalizing evidence for the KH atom, with prospects for firm confirmation by adjustment of laser parameters.

Water-soluble organic nitrogen in atmospheric fine particles (PM2.5) from northern California

NASA Astrophysics Data System (ADS)

Zhang, Qi; Anastasio, Cort; Jimenez-Cruz, Mike

2002-06-01

Recent studies have suggested that organic nitrogen (ON) is a ubiquitous and significant component of atmospheric dry and wet deposition, but very little is known about the concentrations and speciation of organic nitrogen in aerosol particles. In addition, while amino compounds also appear to be ubiquitous in atmospheric condensed phases, their contribution to organic nitrogen has not been previously quantified. To address these issues, we have characterized the water-soluble organic nitrogen and amino compounds in fine particles (PM2.5) collected in Davis, California, over a period of 1 year. Concentrations of water-soluble organic nitrogen (WSON) ranged from 3.1-57.8 nmol N m-3 air, peaking during winter and early spring, and typically accounted for ~20% of total nitrogen in Davis PM2.5. Assuming an average N-normalized molecular weight of 100 Da per N atom for WSON, particulate organic nitrogen had a median mass concentration of 1.6 μg m-3 air, and typically represented 18% of the total fine particle mass. The average mass of water-soluble ON in Davis PM2.5 was comparable to that of sulfate during the summer, but was significantly higher in winter. Total amino compounds (free plus combined forms) made up a significant portion of particulate organic nitrogen (median value equal to 23%), primarily due to the presence of combined amino compounds such as proteins and peptides. Total amino compounds had a median mass concentration of 290 ng m-3 air, and typically accounted for 3.3% of the total fine particle mass. These results indicate that organic nitrogen is a significant component of fine particles in northern California, and suggest that this group of compounds might play an important role in the ecological, radiative, and potential health effects of atmospheric fine particles in this region.

The AME2016 atomic mass evaluation (II). Tables, graphs and references

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Meng; Audi, G.; Kondev, F. G.

This paper is the second part of the new evaluation of atomic masses, Ame2016. Using least-squares adjustments to all evaluated and accepted experimental data, described in Part I, we derive tables with numerical values and graphs to replace those given in Ame2012. The first table lists the recommended atomic mass values and their uncertainties. It is followed by a table of the influences of data on primary nuclides, a table of various reaction and decay energies, and finally, a series of graphs of separation and decay energies. The last section of this paper lists all references of the input datamore » used in the Ame2016 and the Nubase2016 evaluations (first paper in this issue). Amdc: http://amdc.impcas.ac.cn/« less

Silver/oxygen depth profile in coins by using laser ablation, mass quadrupole spectrometer and X-rays fluorescence

NASA Astrophysics Data System (ADS)

Cutroneo, M.; Torrisi, L.; Caridi, F.; Sayed, R.; Gentile, C.; Mondio, G.; Serafino, T.; Castrizio, E. D.

2013-05-01

Silver coins belonging to different historical periods were investigated to determine the Ag/O atomic ratio depth profiles. Laser ablation has been employed to remove, in high vacuum, the first superficial layers of the coins. Mass quadrupole spectrometry has been used to detect the Ag and the O atomic elements vaporized from the coin surface. The depth profile allowed to determine the thickness of the oxidation layer indicating that, in general, it is high in old coins. A complementary technique, using scanning electron microscope and the associated XRF microprobe, have been devoted to confirm the measurements of Ag/O atomic ratio measured with the laser-coupled mass spectrometry. The oxidation layer thicknesses range between about 25 and 250 microns.

Sporadic E-Layers and Meteor Activity

NASA Astrophysics Data System (ADS)

Alimov, Obid

2016-07-01

In average width it is difficult to explain variety of particularities of the behavior sporadic layer Es ionospheres without attraction long-lived metallic ion of the meteoric origin. Mass spectrometric measurements of ion composition using rockets indicate the presence of metal ions Fe+, Mg+, Si+, Na+, Ca+, K+, Al+ and others in the E-region of the ionosphere. The most common are the ions Fe+, Mg+, Si+, which are primarily concentrated in the narrow sporadic layers of the ionosphere at altitudes of 90-130 km. The entry of meteoric matter into the Earth's atmosphere is a source of meteor atoms (M) and ions (M +) that later, together with wind shear, produce midlatitude sporadic Es layer of the ionosphere. To establish the link between sporadic Es layer and meteoroid streams, we proceeded from the dependence of the ionization coefficient of meteors b on the velocity of meteor particles in different meteoroid streams. We investigated the dependence of the critical frequency f0Es of sporadic E on the particle velocity V of meteor streams and associations. It was established that the average values of f0Es are directly proportional to the velocity V of meteor streams and associations, with the correlation coefficient of 0.53 < R < 0.74. Thus, the critical frequency of the sporadic layer Es increases with the increase of particle velocity V in meteor streams, which indicates the direct influence of meteor particles on ionization of the lower ionosphere and formation of long-lived metal atoms M and ions M+ of meteoric origin.

Water's role in the force-induced unfolding of ubiquitin.

PubMed

Li, Jingyuan; Fernandez, Julio M; Berne, B J

2010-11-09

In atomic force spectroscopic studies of the elastomeric protein ubiquitin, the β-strands 1-5 serve as the force clamp. Simulations show how the rupture force in the force-induced unfolding depends on the kinetics of water molecule insertion into positions where they can eventually form hydrogen bonding bridges with the backbone hydrogen bonds in the force-clamp region. The intrusion of water into this region is slowed down by the hydrophobic shielding effect of carbonaceous groups on the surface residues of β-strands 1-5, which thereby regulates water insertion prior to hydrogen bond breakage. The experiments show that the unfolding of the mechanically stressed protein is nonexponential due to static disorder. Our simulations show that different numbers and/or locations of bridging water molecules give rise to a long-lived distribution of transition states and static disorder. We find that slowing down the translational (not rotational) motions of the water molecules by increasing the mass of their oxygen atoms, which leaves the force field and thereby the equilibrium structure of the solvent unchanged, increases the average rupture force; however, the early stages of the force versus time behavior are very similar for our "normal" and fictitious "heavy" water models. Finally, we construct six mutant systems to regulate the hydrophobic shielding effect of the surface residues in the force-clamp region. The mutations in the two termini of β-sheets 1-5 are found to determine a preference for different unfolding pathways and change mutant's average rupture force.

Constraints on Vesta's elemental composition: Fast neutron measurements by Dawn's gamma ray and neutron detector

PubMed Central

Lawrence, David J; Peplowski, Patrick N; Prettyman, Thomas H; Feldman, William C; Bazell, David; Mittlefehldt, David W; Reedy, Robert C; Yamashita, Naoyuki

2013-01-01

Surface composition information from Vesta is reported using fast neutron data collected by the gamma ray and neutron detector on the Dawn spacecraft. After correcting for variations due to hydrogen, fast neutrons show a compositional dynamic range and spatial variability that is consistent with variations in average atomic mass from howardite, eucrite, and diogenite (HED) meteorites. These data provide additional compositional evidence that Vesta is the parent body to HED meteorites. A subset of fast neutron data having lower statistical precision show spatial variations that are consistent with a 400 ppm variability in hydrogen concentrations across Vesta and supports the idea that Vesta's hydrogen is due to long-term delivery of carbonaceous chondrite material. PMID:26074718

Plutonium concentration and (240)Pu/(239)Pu atom ratio in biota collected from Amchitka Island, Alaska: recent measurements using ICP-SFMS.

PubMed

Bu, Kaixuan; Cizdziel, James V; Dasher, Douglas

2013-10-01

Three underground nuclear tests, including the Unites States' largest, were conducted on Amchitka Island, Alaska. Monitoring of the radiological environment around the island is challenging because of its remote location. In 2008, the Department of Energy (DOE) Office of Legacy Management (LM) became responsible for the long term maintenance and surveillance of the Amchitka site. The first DOE LM environmental survey occurred in 2011 and is part of a cycle of activities that will occur every 5 years. The University of Alaska Fairbanks, a participant in the 2011 study, provided the lichen (Cladonia spp.), freshwater moss (Fontinalis neomexicanus), kelp (Eualaria fistulosa) and horse mussel (Modiolus modiolus) samples from Amchitka Island and Adak Island (a control site). These samples were analyzed for (239)Pu and (240)Pu concentration and (240)Pu/(239)Pu atom ratio using inductively coupled plasma sector field mass spectrometry (ICP-SFMS). Plutonium concentrations and (240)Pu/(239)Pu atom ratios were generally consistent with previous terrestrial and marine studies in the region. The ((239)+)(240)Pu levels (mBq kg(-1), dry weight) ranged from 3.79 to 57.1 for lichen, 167-700 for kelp, 27.9-148 for horse mussel, and 560-573 for moss. Lichen from Adak Island had higher Pu concentrations than Amchitka Island, the difference was likely the result of the higher precipitation at Adak compared to Amchitka. The (240)Pu/(239)Pu atom ratios were significantly higher in marine samples compared to terrestrial and freshwater samples (t-test, p < 0.001); lichen and moss averaged 0.184 ± 0.007, similar to the integrated global fallout ratio, whereas kelp and mussel (soft tissue) averaged 0.226 ± 0.003. These observations provide supporting evidence that a large input of isotopically heavier Pu occurred into the North Pacific Ocean, likely from the Marshall Island high yield nuclear tests, but other potential sources, such as the Kamchatka Peninsula Rybachiy Naval Base and Amchitka Island underground nuclear test site cannot be ruled out. Copyright © 2013 Elsevier Ltd. All rights reserved.

Effective Atomic Number, Mass Attenuation Coefficient Parameterization, and Implications for High-Energy X-Ray Cargo Inspection Systems

NASA Astrophysics Data System (ADS)

Langeveld, Willem G. J.

The most widely used technology for the non-intrusive active inspection of cargo containers and trucks is x-ray radiography at high energies (4-9 MeV). Technologies such as dual-energy imaging, spectroscopy, and statistical waveform analysis can be used to estimate the effective atomic number (Zeff) of the cargo from the x-ray transmission data, because the mass attenuation coefficient depends on energy as well as atomic number Z. The estimated effective atomic number, Zeff, of the cargo then leads to improved detection capability of contraband and threats, including special nuclear materials (SNM) and shielding. In this context, the exact meaning of effective atomic number (for mixtures and compounds) is generally not well-defined. Physics-based parameterizations of the mass attenuation coefficient have been given in the past, but usually for a limited low-energy range. Definitions of Zeff have been based, in part, on such parameterizations. Here, we give an improved parameterization at low energies (20-1000 keV) which leads to a well-defined Zeff. We then extend this parameterization up to energies relevant for cargo inspection (10 MeV), and examine what happens to the Zeff definition at these higher energies.

Monte Carlo Computational Modeling of the Energy Dependence of Atomic Oxygen Undercutting of Protected Polymers

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Stueber, Thomas J.; Norris, Mary Jo

1998-01-01

A Monte Carlo computational model has been developed which simulates atomic oxygen attack of protected polymers at defect sites in the protective coatings. The parameters defining how atomic oxygen interacts with polymers and protective coatings as well as the scattering processes which occur have been optimized to replicate experimental results observed from protected polyimide Kapton on the Long Duration Exposure Facility (LDEF) mission. Computational prediction of atomic oxygen undercutting at defect sites in protective coatings for various arrival energies was investigated. The atomic oxygen undercutting energy dependence predictions enable one to predict mass loss that would occur in low Earth orbit, based on lower energy ground laboratory atomic oxygen beam systems. Results of computational model prediction of undercut cavity size as a function of energy and defect size will be presented to provide insight into expected in-space mass loss of protected polymers with protective coating defects based on lower energy ground laboratory testing.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dubetsky, Boris; Libby, Stephen; Berman, Paul

The influence of an external test mass on the phase of the signal of an atom interferometer is studied theoretically. Using traditional techniques in atom optics based on the density matrix equations in the Wigner representation, we are able to extract the various contributions to the phase of the signal associated with the classical motion of the atoms, the quantum correction to this motion resulting from atomic recoil that is produced when the atoms interact with Raman field pulses and quantum corrections to the atomic motion that occur in the time between the Raman field pulses. Thus, by increasing themore » effective wave vector associated with the Raman field pulses using modified field parameters, we can increase the sensitivity of the signal to the point where such quantum corrections can be measured. Furthermore, the expressions that are derived can be evaluated numerically to isolate the contribution to the signal from an external test mass. The regions of validity of the exact and approximate expressions are determined.« less

Improved Limits on Axionlike-Particle-Mediated P, T-Violating Interactions between Electrons and Nucleons from Electric Dipole Moments of Atoms and Molecules.

PubMed

Stadnik, Y V; Dzuba, V A; Flambaum, V V

2018-01-05

In the presence of P, T-violating interactions, the exchange of axionlike particles between electrons and nucleons in atoms and molecules induces electric dipole moments (EDMs) of atoms and molecules. We perform calculations of such axion-exchange-induced atomic EDMs using the relativistic Hartree-Fock-Dirac method including electron core polarization corrections. We present analytical estimates to explain the dependence of these induced atomic EDMs on the axion mass and atomic parameters. From the experimental bounds on the EDMs of atoms and molecules, including ^{133}Cs, ^{205}Tl, ^{129}Xe, ^{199}Hg, ^{171}Yb^{19}F, ^{180}Hf^{19}F^{+}, and ^{232}Th^{16}O, we constrain the P, T-violating scalar-pseudoscalar nucleon-electron and electron-electron interactions mediated by a generic axionlike particle of arbitrary mass. Our limits improve on existing laboratory bounds from other experiments by many orders of magnitude for m_{a}≳10^{-2}  eV. We also place constraints on CP violation in certain types of relaxion models.

Search for light scalar dark matter with atomic gravitational wave detectors

NASA Astrophysics Data System (ADS)

Arvanitaki, Asimina; Graham, Peter W.; Hogan, Jason M.; Rajendran, Surjeet; Van Tilburg, Ken

2018-04-01

We show that gravitational wave detectors based on a type of atom interferometry are sensitive to ultralight scalar dark matter. Such dark matter can cause temporal oscillations in fundamental constants with a frequency set by the dark matter mass and amplitude determined by the local dark matter density. The result is a modulation of atomic transition energies. We point out a new time-domain signature of this effect in a type of gravitational wave detector that compares two spatially separated atom interferometers referenced by a common laser. Such a detector can improve on current searches for electron-mass or electric-charge modulus dark matter by up to 10 orders of magnitude in coupling, in a frequency band complementary to that of other proposals. It demonstrates that this class of atomic sensors is qualitatively different from other gravitational wave detectors, including those based on laser interferometry. By using atomic-clock-like interferometers, laser noise is mitigated with only a single baseline. These atomic sensors can thus detect scalar signals in addition to tensor signals.

Gravitational Wave Detection with Single-Laser Atom Interferometers

NASA Technical Reports Server (NTRS)

Yu, Nan; Tinto, Massimo

2011-01-01

A new design for a broadband detector of gravitational radiation relies on two atom interferometers separated by a distance L. In this scheme, only one arm and one laser are used for operating the two atom interferometers. The innovation here involves the fact that the atoms in the atom interferometers are not only considered as perfect test masses, but also as highly stable clocks. Atomic coherence is intrinsically stable, and can be many orders of magnitude more stable than a laser.

Tartarus: A relativistic Green's function quantum average atom code

DOE PAGES

Gill, Nathanael Matthew; Starrett, Charles Edward

2017-06-28

A relativistic Green’s Function quantum average atom model is implemented in the Tartarus code for the calculation of equation of state data in dense plasmas. We first present the relativistic extension of the quantum Green’s Function average atom model described by Starrett [1]. The Green’s Function approach addresses the numerical challenges arising from resonances in the continuum density of states without the need for resonance tracking algorithms or adaptive meshes, though there are still numerical challenges inherent to this algorithm. We discuss how these challenges are addressed in the Tartarus algorithm. The outputs of the calculation are shown in comparisonmore » to PIMC/DFT-MD simulations of the Principal Shock Hugoniot in Silicon. Finally, we also present the calculation of the Hugoniot for Silver coming from both the relativistic and nonrelativistic modes of the Tartarus code.« less

Tartarus: A relativistic Green's function quantum average atom code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gill, Nathanael Matthew; Starrett, Charles Edward

A relativistic Green’s Function quantum average atom model is implemented in the Tartarus code for the calculation of equation of state data in dense plasmas. We first present the relativistic extension of the quantum Green’s Function average atom model described by Starrett [1]. The Green’s Function approach addresses the numerical challenges arising from resonances in the continuum density of states without the need for resonance tracking algorithms or adaptive meshes, though there are still numerical challenges inherent to this algorithm. We discuss how these challenges are addressed in the Tartarus algorithm. The outputs of the calculation are shown in comparisonmore » to PIMC/DFT-MD simulations of the Principal Shock Hugoniot in Silicon. Finally, we also present the calculation of the Hugoniot for Silver coming from both the relativistic and nonrelativistic modes of the Tartarus code.« less

Lurking systematics in dust-based estimates of galaxy ISM masses

NASA Astrophysics Data System (ADS)

Janowiecki, Steven; Cortese, Luca; Catinella, Barbara; Goodwin, Adelle

2018-01-01

We use galaxies from the Herschel Reference Survey to evaluate commonly used indirect predictors of cold gas masses. With observations of cold neutral atomic and molecular gas, we calibrate predictive relationships using infrared dust emission and gas depletion time methods. We derive a set of self-consistent predictions of cold gas masses with ~20% scatter, and the greatest accuracy for total cold gas mass. However, significant systematic residuals are found in all calibrations which depend strongly on the molecular-to-atomic hydrogen mass ratio, and they can over/under-predict gas masses by >0.5 dex. Extending these types of indirect predictions to high-z galaxies (e.g., using ALMA observations of dust continuum to determine gas masses) requires implicit assumptions about the conditions in their interstellar medium. Any scaling relations derived using predicted gas masses may be more closely related to the calibrations used than to the actual galaxies observed.

Rotational Energy as Mass in H3 + and Lower Limits on the Atomic Masses of D and 3He

NASA Astrophysics Data System (ADS)

Smith, J. A.; Hamzeloui, S.; Fink, D. J.; Myers, E. G.

2018-04-01

We have made precise measurements of the cyclotron frequency ratios H3 +/HD+ and H3 +/ 3He+ and observe that different H3+ ions result in different cyclotron frequency ratios. We interpret these differences as due to the molecular rotational energy of H3 + changing its inertial mass. We also confirm that certain high J , K rotational levels of H3+ have mean lifetimes exceeding several weeks. From measurements with the lightest H3+ ion we obtain lower limits on the atomic masses of deuterium and helium-3 with respect to the proton.

Continuous time-of-flight ion mass spectrometer

DOEpatents

Funsten, Herbert O.; Feldman, William C.

2004-10-19

A continuous time-of-flight mass spectrometer having an evacuated enclosure with means for generating an electric field located in the evacuated enclosure and means for injecting a sample material into the electric field. A source of continuous ionizing radiation injects ionizing radiation into the electric field to ionize atoms or molecules of the sample material, and timing means determine the time elapsed between arrival of a secondary electron out of said ionized atoms or molecules at a first predetermined location and arrival of a sample ion out of said ionized atoms or molecules at a second predetermined location.

Supersonic N-Crowdions in a Two-Dimensional Morse Crystal

NASA Astrophysics Data System (ADS)

Dmitriev, S. V.; Korznikova, E. A.; Chetverikov, A. P.

2018-03-01

An interstitial atom placed in a close-packed atomic row of a crystal is called crowdion. Such defects are highly mobile; they can move along the row, transferring mass and energy. We generalize the concept of a classical supersonic crowdion to an N-crowdion in which not one but N atoms move simultaneously with a high velocity. Using molecular dynamics simulations for a close-packed two-dimensional Morse crystal, we show that N-crowdions transfer mass much more efficiently, because they are capable of covering large distances while having a lower total energy than that of a classical 1-crowdion.

Atomic selectivity in dissociative electron attachment to dihalobenzenes.

PubMed

Kim, Namdoo; Sohn, Taeil; Lee, Sang Hak; Nandi, Dhananjay; Kim, Seong Keun

2013-10-21

We investigated electron attachment to three dihalobenzene molecules, bromochlorobenzene (BCB), bromoiodobenzene (BIB) and chloroiodobenzene (CIB), by molecular beam photoelectron spectroscopy. The most prominent product of electron attachment in the anion mass spectra was the atomic fragment of the less electronegative halogen of the two, i.e., Br(-) for BCB and I(-) for BIB and CIB. Photoelectron spectroscopy and ab initio calculations suggested that the approaching electron prefers to attack the less electronegative atom, a seemingly counterintuitive finding but consistent with the mass spectrometric result. For the iodine-containing species BIB and CIB, the photoelectron spectrum consists of bands from both the molecular anion and atomic I(-), the latter of which is produced by photodissociation of the former. Molecular orbital analysis revealed that a large degree of orbital energy reordering takes place upon electron attachment. These phenomena were shown to be readily explained by simple molecular orbital theory and the electronegativity of the halogen atoms.

Lead concentrations and isotope ratios in street dust determined by electrothermal atomic absorption spectrometry and inductively coupled plasma mass spectrometry.

PubMed

Nageotte, S M; Day, J P

1998-01-01

A major source of environmental lead, particularly in urban areas, has been from the combustion of leaded petrol. Street dust has previously been used to assess urban lead contamination, and the dust itself can also be a potential source of lead ingestion, particularly to children. The progressive reduction of lead in petrol, in recent years, would be expected to have been reflected in a reduction of lead in urban dust. We have tested this hypothesis by repeating an earlier survey of Manchester street dust and carrying out a comparable survey in Paris. Samples were collected from streets and parks, lead was extracted by digestion with concentrated nitric acid and determined by electrothermal atomic absorption spectrometry. Lead isotope ratios were measured by inductively coupled plasma mass spectrometry. Results for Manchester show that lead concentrations have fallen by about 40% (street dust averages, 941 micrograms g-1 (ppm) in 1975 down to 569 ppm in 1997). In Paris, the lead levels in street dust are much higher and significant differences were observed between types of street (not seen in Manchester). Additionally, lead levels in parks were much lower than in Manchester. Samples collected under the Eiffel Tower had very high concentrations and lead isotope ratios showed that this was unlikely to be fallout from motor vehicles but could be due to the paint used on the tower. Isotope ratios measurements also revealed that lead additives used in France and the UK come from different sources.

Methods of analysis by the U.S. Geological Survey National Water Quality Laboratory; determination of whole-water recoverable arsenic, boron, and vanadium using inductively coupled plasma-mass spectrometry

USGS Publications Warehouse

Garbarino, John R.

2000-01-01

Analysis of in-bottle digestate by using the inductively coupled plasma?mass spectrometric (ICP?MS) method has been expanded to include arsenic, boron, and vanadium. Whole-water samples are digested by using either the hydrochloric acid in-bottle digestion procedure or the nitric acid in-bottle digestion procedure. When the hydrochloric acid in-bottle digestion procedure is used, chloride must be removed from the digestate by subboiling evaporation before arsenic and vanadium can be accurately determined. Method detection limits for these elements are now 10 to 100 times lower than U.S. Geological Survey (USGS) methods using hydride generation? atomic absorption spectrophotometry (HG? AAS) and inductively coupled plasma? atomic emission spectrometry (ICP?AES), thus providing lower variability at ambient concentrations. The bias and variability of the methods were determined by using results from spike recoveries, standard reference materials, and validation samples. Spike recoveries in reagent-water, surface-water, ground-water, and whole-water recoverable matrices averaged 90 percent for seven replicates; spike recoveries were biased from 25 to 35 percent low for the ground-water matrix because of the abnormally high iron concentration. Results for reference material were within one standard deviation of the most probable value. There was no significant difference between the results from ICP?MS and HG?AAS or ICP?AES methods for the natural whole-water samples that were analyzed.

Atomic diffusion in metal-poor stars. II. Predictions for the Spite plateau

NASA Astrophysics Data System (ADS)

Salaris, M.; Weiss, A.

2001-09-01

We have computed a grid of up-to-date stellar evolutionary models including atomic diffusion, in order to study the evolution with time of the surface Li abundance in low-mass metal-poor stars. We discuss in detail the dependence of the surface Li evolution on the initial metallicity and stellar mass, and compare the abundances obtained from our models with the available Li measurements in Pop II stars. While it is widely accepted that the existence of the Spite Li-plateau for these stars is a strong evidence that diffusion is inhibited, we show that, when taking into account observational errors, uncertainties in the Li abundance determinations, in the T_eff scale, and in particular the size of the observed samples of stars, the Spite plateau and the Li abundances in subgiant branch stars can be reproduced also by models including fully efficient diffusion, provided that the most metal-poor field halo objects are between 13.5 and 14 Gyr old. We provide the value of the minimum number of plateau stars to observe, for discriminating between efficient or inhibited diffusion. {From} our models with diffusion we derive that the average Li abundance along the Spite plateau is about a factor of 2 lower than the primordial one. As a consequence, the derived primordial Li abundance would be consistent with a high helium and low deuterium Big Bang Nucleosynthesis; this implies a high cosmological baryon density as inferred from the analyses of the cosmic microwave background.

Predicting Atomic Decay Rates Using an Informational-Entropic Approach

NASA Astrophysics Data System (ADS)

Gleiser, Marcelo; Jiang, Nan

2018-06-01

We show that a newly proposed Shannon-like entropic measure of shape complexity applicable to spatially-localized or periodic mathematical functions known as configurational entropy (CE) can be used as a predictor of spontaneous decay rates for one-electron atoms. The CE is constructed from the Fourier transform of the atomic probability density. For the hydrogen atom with degenerate states labeled with the principal quantum number n, we obtain a scaling law relating the n-averaged decay rates to the respective CE. The scaling law allows us to predict the n-averaged decay rate without relying on the traditional computation of dipole matrix elements. We tested the predictive power of our approach up to n = 20, obtaining an accuracy better than 3.7% within our numerical precision, as compared to spontaneous decay tables listed in the literature.

Predicting Atomic Decay Rates Using an Informational-Entropic Approach

NASA Astrophysics Data System (ADS)

Gleiser, Marcelo; Jiang, Nan

2018-02-01

We show that a newly proposed Shannon-like entropic measure of shape complexity applicable to spatially-localized or periodic mathematical functions known as configurational entropy (CE) can be used as a predictor of spontaneous decay rates for one-electron atoms. The CE is constructed from the Fourier transform of the atomic probability density. For the hydrogen atom with degenerate states labeled with the principal quantum number n, we obtain a scaling law relating the n-averaged decay rates to the respective CE. The scaling law allows us to predict the n-averaged decay rate without relying on the traditional computation of dipole matrix elements. We tested the predictive power of our approach up to n = 20, obtaining an accuracy better than 3.7% within our numerical precision, as compared to spontaneous decay tables listed in the literature.

In situ calibration of inductively coupled plasma-atomic emission and mass spectroscopy

DOEpatents

Braymen, Steven D.

1996-06-11

A method and apparatus for in situ addition calibration of an inductively coupled plasma atomic emission spectrometer or mass spectrometer using a precision gas metering valve to introduce a volatile calibration gas of an element of interest directly into an aerosol particle stream. The present situ calibration technique is suitable for various remote, on-site sampling systems such as laser ablation or nebulization.

Effects of quantum coherence and interference in atoms near nanoparticles

NASA Astrophysics Data System (ADS)

Dhayal, Suman; Rostovtsev, Yuri V.

2016-04-01

Optical properties of ensembles of realistic quantum emitters coupled to plasmonic systems are studied by using adequate models that can take into account full atomic geometry. In particular, the coherent effects such as forming "dark states," optical pumping, coherent Raman scattering, and the stimulated Raman adiabatic passage (STIRAP) are revisited in the presence of metallic nanoparticles. It is shown that the dark states are still formed but they have more complicated structure, and the optical pumping and the STIRAP cannot be employed in the vicinity of plasmonic nanostructures. Also, there is a huge difference in the behavior of the local atomic polarization and the atomic polarization averaged over an ensemble of atoms homogeneously spread near nanoparticles. The average polarization is strictly related to the polarization induced by the external field, while the local polarization can be very different from the one induced by the external field. This is important for the excitation of single molecules, e.g., different components of scattering from single molecules can be used for their efficient detection.

Sensitive Technique Developed Using Atomic Force Microscopy to Measure the Low-Earth-Orbit Atomic Oxygen Erosion of Polymers

NASA Technical Reports Server (NTRS)

deGroh, Kim D.; Banks, Bruce A.; Clark, Gregory W.; Hammerstrom, Anne; Youngstrom, Erica; Kaminski, Carolyn; Fine, Elizabeth; Marx, Laura

2001-01-01

A recession measurement technique has been developed at the NASA Glenn Research Center to determine the atomic oxygen durability of polymers exposed to the space environment for short durations. Polymers such as polyimide Kapton and Teflon FEP (fluorinated ethylene propylene, DuPont) are commonly used in spacecraft because of their desirable properties, such as flexibility, low density, and in the case of FEP, low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low- Earth-orbit environment are exposed to energetic atomic oxygen, resulting in erosion and potential structural loss. It is, therefore, important to understand the atomic oxygen erosion yield (E, the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. Because long-term space exposure data are rare and very costly, short-term exposures, such as on the space shuttles, are often relied on for atomic oxygen erosion determination. The most common technique for determining E is through mass-loss measurements. For limited-duration exposure experiments, such as shuttle flight experiments, the atomic oxygen fluence is often so small that mass-loss measurements are not sensitive enough. Therefore, a recession measurement technique has been developed at Glenn to obtain accurate erosion yields of polymers exposed to low atomic oxygen fluences.

Distribution and motions of atomic hydrogen in lenticular galaxies. X - The blue S0 galaxy NGC 5102

NASA Technical Reports Server (NTRS)

Van Woerden, H.; Van Driel, W.; Braun, R.; Rots, A. H.

1993-01-01

Results of the mapping of the blue gas-rich S0 galaxy NGC 5102 in the 21-cm H I line with a spatial resolution of 34 x 37 arcsec (delta(alpha) x Delta(delta)) and a velocity resolution of 12 km/s are presented. The H I distribution has a pronounced central depression of 1.9 kpc radius, and most of the H I is concentrated in a 3.6 kpc wide ring with an average radius of 3.7 kpc, assuming a distance of 4 Mpc for NGC 5102. The maximum azimuthally averaged H I surface density in the ring is 1.4 solar mass/sq pc, comparable to that found in other S0 galaxies. The HI velocity field is quite regular, showing no evidence for large-scale deviations from circular rotation, and the H I is found to rotate in the plane of the stellar disk. Both the H I mass/blue luminosity ratio and the radial H I distribution are similar to those in early-type spirals. The H I may be an old disk or it may have been acquired through capture of a gas-rich smaller galaxy. The recent starburst in the nuclear region, which gave the galaxy its blue color, may have been caused by partial radial collapse of the gas disk, or by infall of a gas-rich dwarf galaxy.

Brownian relaxation of an inelastic sphere in air

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bird, G. A., E-mail: gab@gab.com.au

2016-06-15

The procedures that are used to calculate the forces and moments on an aerodynamic body in the rarefied gas of the upper atmosphere are applied to a small sphere of the size of an aerosol particle at sea level. While the gas-surface interaction model that provides accurate results for macroscopic bodies may not be appropriate for bodies that are comprised of only about a thousand atoms, it provides a limiting case that is more realistic than the elastic model. The paper concentrates on the transfer of energy from the air to an initially stationary sphere as it acquires Brownian motion.more » Individual particle trajectories vary wildly, but a clear relaxation process emerges from an ensemble average over tens of thousands of trajectories. The translational and rotational energies in equilibrium Brownian motion are determined. Empirical relationships are obtained for the mean translational and rotational relaxation times, the mean initial power input to the particle, the mean rates of energy transfer between the particle and air, and the diffusivity. These relationships are functions of the ratio of the particle mass to an average air molecule mass and the Knudsen number, which is the ratio of the mean free path in the air to the particle diameter. The ratio of the molecular radius to the particle radius also enters as a correction factor. The implications of Brownian relaxation for the second law of thermodynamics are discussed.« less

Method and apparatus for noble gas atom detection with isotopic selectivity

DOEpatents

Hurst, G. Samuel; Payne, Marvin G.; Chen, Chung-Hsuan; Parks, James E.

1984-01-01

Apparatus and methods of operation are described for determining, with isotopic selectivity, the number of noble gas atoms in a sample. The analysis is conducted within an evacuated chamber which can be isolated by a valve from a vacuum pumping system capable of producing a pressure of 10.sup.-8 Torr. Provision is made to pass pulses of laser beams through the chamber, these pulses having wavelengths appropriate for the resonance ionization of atoms of the noble gas under analysis. A mass filter within the chamber selects ions of a specific isotope of the noble gas, and means are provided to accelerate these selected ions sufficiently for implantation into a target. Specific types of targets are discussed. An electron measuring device produces a signal relatable to the number of ions implanted into the target and thus to the number of atoms of the selected isotope of the noble gas removed from the gas sample. The measurement can be continued until a substantial fraction, or all, of the atoms in the sample have been counted. Furthermore, additional embodiments of the apparatus are described for bunching the atoms of a noble gas for more rapid analysis, and for changing the target for repetitive cycling of the gas in the chamber. The number of repetitions of the cyclic steps depend upon the concentration of the isotope of interest, the separative efficiency of the mass filter, etc. The cycles are continued until a desired selectivity is achieved. Also described are components and a method of operation for a pre-enrichment operation for use when an introduction of a total sample would elevate the pressure within the chamber to levels in excess of those for operation of the mass filter, specifically a quadrupole mass filter. Specific examples of three noble gas isotope analyses are described.

Project Physics Tests 5, Models of the Atom.

ERIC Educational Resources Information Center

Harvard Univ., Cambridge, MA. Harvard Project Physics.

Test items relating to Project Physics Unit 5 are presented in this booklet. Included are 70 multiple-choice and 23 problem-and-essay questions. Concepts of atomic model are examined on aspects of relativistic corrections, electron emission, photoelectric effects, Compton effect, quantum theories, electrolysis experiments, atomic number and mass,…

Average-atom treatment of relaxation time in x-ray Thomson scattering from warm dense matter.

PubMed

Johnson, W R; Nilsen, J

2016-03-01

The influence of finite relaxation times on Thomson scattering from warm dense plasmas is examined within the framework of the average-atom approximation. Presently most calculations use the collision-free Lindhard dielectric function to evaluate the free-electron contribution to the Thomson cross section. In this work, we use the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time is evaluated by treating the average atom as an impurity in a uniform electron gas and depends critically on the transport cross section. The calculated relaxation rates agree well with values inferred from the Ziman formula for the static conductivity and also with rates inferred from a fit to the frequency-dependent conductivity. Transport cross sections determined by the phase-shift analysis in the average-atom potential are compared with those evaluated in the commonly used Born approximation. The Born approximation converges to the exact cross sections at high energies; however, differences that occur at low energies lead to corresponding differences in relaxation rates. The relative importance of including relaxation time when modeling x-ray Thomson scattering spectra is examined by comparing calculations of the free-electron dynamic structure function for Thomson scattering using Lindhard and Mermin dielectric functions. Applications are given to warm dense Be plasmas, with temperatures ranging from 2 to 32 eV and densities ranging from 2 to 64 g/cc.

Average-atom treatment of relaxation time in x-ray Thomson scattering from warm dense matter

DOE PAGES

Johnson, W. R.; Nilsen, J.

2016-03-14

Here, the influence of finite relaxation times on Thomson scattering from warm dense plasmas is examined within the framework of the average-atom approximation. Presently most calculations use the collision-free Lindhard dielectric function to evaluate the free-electron contribution to the Thomson cross section. In this work, we use the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time is evaluated by treating the average atom as an impurity in a uniform electron gas and depends critically on the transport cross section. The calculated relaxation rates agree well with values inferred from the Ziman formula for the static conductivity andmore » also with rates inferred from a fit to the frequency-dependent conductivity. Transport cross sections determined by the phase-shift analysis in the average-atom potential are compared with those evaluated in the commonly used Born approximation. The Born approximation converges to the exact cross sections at high energies; however, differences that occur at low energies lead to corresponding differences in relaxation rates. The relative importance of including relaxation time when modeling x-ray Thomson scattering spectra is examined by comparing calculations of the free-electron dynamic structure function for Thomson scattering using Lindhard and Mermin dielectric functions. Applications are given to warm dense Be plasmas, with temperatures ranging from 2 to 32 eV and densities ranging from 2 to 64 g/cc.« less

Statistical evaluation of an inductively coupled plasma atomic emission spectrometric method for routine water quality testing

USGS Publications Warehouse

Garbarino, J.R.; Jones, B.E.; Stein, G.P.

1985-01-01

In an interlaboratory test, inductively coupled plasma atomic emission spectrometry (ICP-AES) was compared with flame atomic absorption spectrometry and molecular absorption spectrophotometry for the determination of 17 major and trace elements in 100 filtered natural water samples. No unacceptable biases were detected. The analysis precision of ICP-AES was found to be equal to or better than alternative methods. Known-addition recovery experiments demonstrated that the ICP-AES determinations are accurate to between plus or minus 2 and plus or minus 10 percent; four-fifths of the tests yielded average recoveries of 95-105 percent, with an average relative standard deviation of about 5 percent.

Low earth orbit durability evaluation of Haynes 188 solar receiver material

NASA Technical Reports Server (NTRS)

De Groh, Kim K.; Rutledge, Sharon K.; Burke, Christopher A.; Dever, Therese M.; Olle, Raymond M.; Terlep, Judith A.

1992-01-01

The effects of elevated-temperature vacuum and elevated-temperature atomic oxygen exposure on the mass, surface chemistry, surface morphology, and optical properties of Haynes 188, a possible heat receiver material for space-based solar dynamic power systems, have been studied. Pristine and surface modified Haynes 188 were exposed to vacuum less than or equal to 10 exp -6 torr at 820 C for 5215.5 h, and to atomic oxygen in an air plasma asher at 34 and 827 C for fluences up to 5.6 x 10 exp 21 atoms/sq cm. Results obtained indicate that vacuum heat treatment caused surface morphology and chemistry changes with corresponding optical property changes. Atomic oxygen exposure caused optical property changes which diminished with time. Mass changes are considered to be negligible for both exposures.

Atom Interferometer Modeling Tool

DTIC Science & Technology

2011-08-08

present, LiveAtom supports the alkali metals from Lithium to Cesium. LiveAtom will also show where atoms in the equilibrium state will sit if a trap is...Address: 7105 La Vista Pl . Niwot, CO 80503 Phone Number: 303-652-0725 The views and conclusions contained in this document are those of the authors...0704-0188 Public reporting burden for the collection of information is estimated to average 1 hour per response, including the time for reviewing

Loss of oxygen from Venus

NASA Astrophysics Data System (ADS)

McElroy, M. B.; Prather, M. J.; Rodriguez, J. M.

1982-06-01

Ionization of thermal and nonthermal oxygen atoms above the plasmapause on Venus supplies an escape flux for O averaging 6 x 10 to the 6th atoms/sq cm-sec. Hydrogen and oxygen atoms escape with stoichiometry characteristic of water. It is argued that escape of H is controlled by the oxidation state of the atmosphere, regulated by escape of O.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pang, Yuan-Ping, E-mail: pang@mayo.edu

Highlights: • Reducing atomic masses by 10-fold vastly improves sampling in MD simulations. • CLN025 folded in 4 of 10 × 0.5-μs MD simulations when masses were reduced by 10-fold. • CLN025 folded as early as 96.2 ns in 1 of the 4 simulations that captured folding. • CLN025 did not fold in 10 × 0.5-μs MD simulations when standard masses were used. • Low-mass MD simulation is a simple and generic sampling enhancement technique. - Abstract: CLN025 is one of the smallest fast-folding proteins. Until now it has not been reported that CLN025 can autonomously fold to its nativemore » conformation in a classical, all-atom, and isothermal–isobaric molecular dynamics (MD) simulation. This article reports the autonomous and repeated folding of CLN025 from a fully extended backbone conformation to its native conformation in explicit solvent in multiple 500-ns MD simulations at 277 K and 1 atm with the first folding event occurring as early as 66.1 ns. These simulations were accomplished by using AMBER forcefield derivatives with atomic masses reduced by 10-fold on Apple Mac Pros. By contrast, no folding event was observed when the simulations were repeated using the original AMBER forcefields of FF12SB and FF14SB. The results demonstrate that low-mass MD simulation is a simple and generic technique to enhance configurational sampling. This technique may propel autonomous folding of a wide range of miniature proteins in classical, all-atom, and isothermal–isobaric MD simulations performed on commodity computers—an important step forward in quantitative biology.« less

Screening Method for the Discovery of Potential Bioactive Cysteine-Containing Peptides Using 3D Mass Mapping

NASA Astrophysics Data System (ADS)

van Oosten, Luuk N.; Pieterse, Mervin; Pinkse, Martijn W. H.; Verhaert, Peter D. E. M.

2015-12-01

Animal venoms and toxins are a valuable source of bioactive peptides with pharmacologic relevance as potential drug leads. A large subset of biologically active peptides discovered up till now contain disulfide bridges that enhance stability and activity. To discover new members of this class of peptides, we developed a workflow screening specifically for those peptides that contain inter- and intra-molecular disulfide bonds by means of three-dimensional (3D) mass mapping. Two intrinsic properties of the sulfur atom, (1) its relatively large negative mass defect, and (2) its isotopic composition, allow for differentiation between cysteine-containing peptides and peptides lacking sulfur. High sulfur content in a peptide decreases the normalized nominal mass defect (NMD) and increases the normalized isotopic shift (NIS). Hence in a 3D plot of mass, NIS, and NMD, peptides with sulfur appear in this plot with a distinct spatial localization compared with peptides that lack sulfur. In this study we investigated the skin secretion of two frog species; Odorrana schmackeri and Bombina variegata. Peptides from the crude skin secretions were separated by nanoflow LC, and of all eluting peptides high resolution zoom scans were acquired in order to accurately determine both monoisotopic mass and average mass. Both the NMD and the NIS were calculated from the experimental data using an in-house developed MATLAB script. Candidate peptides exhibiting a low NMD and high NIS values were selected for targeted de novo sequencing, and this resulted in the identification of several novel inter- and intra-molecular disulfide bond containing peptides.

Melting point of high-purity germanium stable isotopes

NASA Astrophysics Data System (ADS)

Gavva, V. A.; Bulanov, A. D.; Kut'in, A. M.; Plekhovich, A. D.; Churbanov, M. F.

2018-05-01

The melting point (Tm) of germanium stable isotopes 72Ge, 73Ge, 74Ge, 76Ge was determined by differential scanning calorimetry. With the increase in atomic mass of isotope the decrease in Tm is observed. The decrease was equal to 0.15 °C per the unit of atomic mass which qualitatively agrees with the value calculated by Lindemann formula accounting for the effect of "isotopic compression" of elementary cell.

Cold gas properties of the Herschel Reference Survey. III. Molecular gas stripping in cluster galaxies

NASA Astrophysics Data System (ADS)

Boselli, A.; Cortese, L.; Boquien, M.; Boissier, S.; Catinella, B.; Gavazzi, G.; Lagos, C.; Saintonge, A.

2014-04-01

The Herschel Reference Survey is a complete volume-limited, K-band-selected sample of nearby objects including Virgo cluster and isolated objects. Using a recent compilation of Hi and CO data for this sample we study the effects of the cluster environment on the molecular gas content of spiral galaxies. With the subsample of unperturbed field galaxies, we first identify the stellar mass as the scaling variable that traces the total molecular gas mass of galaxies better. We show that, on average, Hi-deficient galaxies are significantly offset (4σ) from the M(H2) vs. Mstar relation for Hi-normal galaxies. We use the M(H2) vs. Mstar scaling relation to define the H2-deficiency parameter as the difference, on logarithmic scale, between the expected and observed molecular gas mass for a galaxy of given stellar mass. The H2-deficiency parameter shows a weak and scattered relation with the Hi-deficiency parameter, here taken as a proxy for galaxy interactions with the surrounding cluster environment. We also show that, as for the atomic gas, the extent of the molecular disc decreases with increasing Hi-deficiency. All together, these results show that cluster galaxies have, on average, a lower molecular gas content than similar objects in the field. Our analysis indicates that ram pressure stripping is the physical process responsible for this molecular gas deficiency. The slope of the H2 - def vs. Hi - def relation is less than unity, while the D(Hi)/D(i) vs. Hi - def relation is steeper than the D(CO)/D(i) vs. Hi - def relation, thereby indicating that the molecular gas is removed less efficiently than the atomic gas. This result can be understood if the atomic gas is distributed on a relatively flat disc that is more extended than the stellar disc. It is thus less anchored to the gravitational potential well of the galaxy than the molecular gas phase, which is distributed on an exponential disc with a scalelength rCO ≃ 0.2r24.5(g). There is a clear trend between the NUV-i colour index, which is a proxy for the specific star formation activity, and the H2-deficiency parameter, which suggests that molecular gas removal quenches the activity of star formation. This causes galaxies migrate from the blue cloud to the green valley and, eventually, to the red sequence. The total gas-consumption timescale of gas deficient cluster galaxies is comparable to that of isolated, unperturbed systems. The total gas depletion timescale determined by considering the recycled fraction is τgas,R ≃ 3.0-3.3 Gyr, which is significantly larger than the typical timescale for total gas removal in a ram pressure stripping process, indicated by recent hydrodynamical simulations to be τRP≃ 1.5 Gyr. The comparison of these timescales suggests that ram pressure, rather than a simple stop of the infall of pristine gas from the halo, will be the dominant process driving the future evolution of these cluster galaxies.

The DiskMass Survey. VII. The distribution of luminous and dark matter in spiral galaxies

NASA Astrophysics Data System (ADS)

Martinsson, Thomas P. K.; Verheijen, Marc A. W.; Westfall, Kyle B.; Bershady, Matthew A.; Andersen, David R.; Swaters, Rob A.

2013-09-01

We present dynamically-determined rotation-curve mass decompositions of 30 spiral galaxies, which were carried out to test the maximum-disk hypothesis and to quantify properties of their dark-matter halos. We used measured vertical velocity dispersions of the disk stars to calculate dynamical mass surface densities (Σdyn). By subtracting our observed atomic and inferred molecular gas mass surface densities from Σdyn, we derived the stellar mass surface densities (Σ∗), and thus have absolute measurements of all dominant baryonic components of the galaxies. Using K-band surface brightness profiles (IK), we calculated the K-band mass-to-light ratio of the stellar disks (Υ∗ = Σ∗/IK) and adopted the radial mean (overline{mls}) for each galaxy to extrapolate Σ∗ beyond the outermost kinematic measurement. The derived overline{mls} of individual galaxies are consistent with all galaxies in the sample having equal Υ∗. We find a sample average and scatter of mlab overline{mls}mrab = 0.31 ± 0.07. Rotation curves of the baryonic components were calculated from their deprojected mass surface densities. These were used with circular-speed measurements to derive the structural parameters of the dark-matter halos, modeled as either a pseudo-isothermal sphere (pISO) or a Navarro-Frenk-White (NFW) halo. In addition to our dynamically determined mass decompositions, we also performed alternative rotation-curve decompositions by adopting the traditional maximum-disk hypothesis. However, the galaxies in our sample are submaximal, such that at 2.2 disk scale lengths (hR) the ratios between the baryonic and total rotation curves (Fb2.2hR) are less than 0.75. We find this ratio to be nearly constant between 1-6hR within individual galaxies. We find a sample average and scatter of mlab Fb2.2hRmrab = 0.57 ± 0.07, with trends of larger Fb2.2hR for more luminous and higher-surface-brightness galaxies. To enforce these being maximal, we need to scale Υ∗ by a factor 3.6 on average. In general, the dark-matter rotation curves are marginally better fit by a pISO than by an NFW halo. For the nominal-Υ∗ (submaximal) case, we find that the derived NFW-halo parameters have values consistent with ΛCDM N-body simulations, suggesting that the baryonic matter in our sample of galaxies has only had a minor effect on the dark-matter distribution. In contrast, maximum-Υ∗ decompositions yield halo-concentration parameters that are too low compared to the ΛCDM simulations. Appendix is available in electronic form at http://www.aanda.org

Proposed reference models for atomic oxygen in the terrestrial atmosphere

NASA Technical Reports Server (NTRS)

Llewellyn, E. J.; Mcdade, I. C.; Lockerbie, M. D.

1989-01-01

A provisional Atomic Oxygen Reference model was derived from average monthly ozone profiles and the MSIS-86 reference model atmosphere. The concentrations are presented in tabular form for the altitude range 40 to 130 km.

DETERMINING ION COMPOSITIONS USING AN ACCURATE MASS, TRIPLE QUADRUPOLE MASS SPECTROMETER

EPA Science Inventory

For the past decade, we have used double focusing mass spectrometers to determine
compositions of ions observed in mass spectra produced from compounds introduced by GC
based on measured exact masses of the ions and their +1 and +2 isotopic profiles arising from atoms of ...

Hydrogen rearrangements in the fragmentation of anthracene by low-energy electron impact

NASA Astrophysics Data System (ADS)

van der Burgt, Peter J. M.; Dunne, Melissa; Gradziel, Marcin L.

2018-02-01

We have measured mass spectra for positive ions produced by low-energy electron impact on anthracene using a reflectron time-of-flight mass spectrometer. The electron impact energy has been varied from 0 to 100 eV in steps of 0.5 eV. Ion yield curves of most of the fragment ions have been determined by fitting groups of adjacent peaks in the mass spectra with sequences of normalized Gaussians. Appearance energies for all these ions have been determined, and we report the first direct measurement of the triple ionization energy of anthracene at 45.5±0.5 eV. The groups of fragments containing 8-13 carbon atoms provide evidence for hydrogen rearrangements during the fragmentation, involving retention or loss of one or two additional hydrogen atoms. Groups of fragments with 6 and 7 carbon atoms clearly show the presence of doubly-charged fragments. The smaller fragments with 1-4 carbon atoms all show broadened peaks, and these fragments may be partly or mostly due to energetic charge-separation fragmentations of doubly-charged anthracene.

Large moments in bcc FexCoyMnz ternary alloy thin films

NASA Astrophysics Data System (ADS)

Snow, R. J.; Bhatkar, H.; N'Diaye, A. T.; Arenholz, E.; Idzerda, Y. U.

2018-02-01

The elemental magnetic moments and the average atomic moment of 10-20 nm thick single crystal bcc (bct) FexCoyMnz films deposited on MgO(001) have been determined as a function of a broad range of compositions. Thin film epitaxy stabilized the bcc structure for 80% of the available ternary compositional space compared to only a 23% stability region for the bulk. The films that display ferromagnetism represent 60% of the available compositional possibilities compared to 25% for the bulk. A maximum average atomic moment of 3.25 ± 0.3 μB/atom was observed for a bcc Fe9Co62Mn29 film (well above the limit of the Slater-Pauling binary alloy curve of 2.45 μB/atom). The FexCoyMnz ternary alloys that exhibit high moments can only be synthesized as ultrathin films since the bcc structure is not stable in the bulk for those compositions.

Anomaly of the composition of the F-2 equatorial region of the ionosphere during the hours after sunset according to data from the mass-spectrometer experiment on the Cosmos-274

NASA Technical Reports Server (NTRS)

Gaydukov, V. Y.; Istomin, V. G.; Romanovskiy, Y. A.

1979-01-01

A mass spectrometer on board Cosmos-274 measured concentrations of light atoms and ions. While traversing the geomagnetic equator during the evening hours it recorded on anomalous drop in ionized molecular oxygen and ionized atomic oxygen and nitrogen. A similar, less dramatic, decline was observed in the concentration of neutral atomic oxygen. A possible explanation for this and previously observed behavior is an ascent in altitude of the F layer in the hours after sunset, a possibility which is supported by calculations.

Remote preparation of an atomic quantum memory.

PubMed

Rosenfeld, Wenjamin; Berner, Stefan; Volz, Jürgen; Weber, Markus; Weinfurter, Harald

2007-02-02

Storage and distribution of quantum information are key elements of quantum information processing and future quantum communication networks. Here, using atom-photon entanglement as the main physical resource, we experimentally demonstrate the preparation of a distant atomic quantum memory. Applying a quantum teleportation protocol on a locally prepared state of a photonic qubit, we realized this so-called remote state preparation on a single, optically trapped 87Rb atom. We evaluated the performance of this scheme by the full tomography of the prepared atomic state, reaching an average fidelity of 82%.

Sources of the PM10 aerosol in Flanders, Belgium, and re-assessment of the contribution from wood burning.

PubMed

Maenhaut, Willy; Vermeylen, Reinhilde; Claeys, Magda; Vercauteren, Jordy; Roekens, Edward

2016-08-15

From 30 June 2011 to 2 July 2012 PM10 aerosol samples were simultaneously taken every 4th day at four urban background sites in Flanders, Belgium. The sites were in Antwerpen, Gent, Brugge, and Oostende. The PM10 mass concentration was determined by weighing; organic and elemental carbon (OC and EC) were measured by thermal-optical analysis, the wood burning tracers levoglucosan, mannosan and galactosan were determined by gas chromatography/mass spectrometry, 8 water-soluble ions were measured by ion chromatography, and 15 elements were determined by a combination of inductively coupled plasma atomic emission spectrometry and mass spectrometry. The multi-species dataset was subjected to receptor modeling by PMF. The 10 retained factors (with their overall average percentage contributions to the experimental PM10 mass) were wood burning (9.5%), secondary nitrate (24%), secondary sulfate (12.6%), sea salt (10.0%), aged sea salt (19.2%), crustal matter (9.7%), non-ferrous metals (1.81%), traffic (10.3%), non-exhaust traffic (0.52%), and heavy oil burning (3.0%). The average contributions of wood smoke for the four sites were quite substantial in winter and ranged from 12.5 to 20% for the PM10 mass and from 47 to 64% for PM10 OC. Wood burning appeared to be also a notable source of As, Cd, and Pb. The contribution from wood burning to the PM10 mass and OC was also assessed by making use of levoglucosan as single marker compound and the conversion factors of Schmidl et al. (2008), as done in our previous study on wood burning in Flanders (Maenhaut et al., 2012). However, the apportionments were much lower than those deduced from PMF. It seems that the conversion factors of Schmidl et al. (2008) may not be applicable to wood burning in Flanders. From scatter plots of the PMF-derived wood smoke OC and PM versus levoglucosan, we arrived at conversion factors of 9.7 and 22.6, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

Atomic mass and double-β-decay Q value of 48Ca

NASA Astrophysics Data System (ADS)

Redshaw, Matthew; Bollen, Georg; Brodeur, Maxime; Bustabad, Scott; Lincoln, David L.; Novario, Samuel J.; Ringle, Ryan; Schwarz, Stefan

2012-10-01

The possibility of detecting neutrinoless double-β-decay (0νββ-decay) in experiments that are currently in operation or under development provides the exciting opportunity to determine the Dirac or Majorana nature of the neutrino and its absolute mass scale. An important datum for interpreting 0νββ-decay experimental results is the Q value of the decay. Using Penning trap mass spectrometry we have measured the atomic mass of 48Ca to be M[48Ca] = 47.952 522 76(21) u which, combined with the mass of 48Ti evaluated by Audi [Nucl. Phys. ANUPABL0375-947410.1016/j.nuclphysa.2003.11.003 729, 337 (2003)], provides a new determination of the 48Ca ββ-decay Q value: Qββ = 4262.96(84) keV.

High intensity 5 eV atomic oxygen source and Low Earth Orbit (LEO) simulation facility

NASA Technical Reports Server (NTRS)

Cross, J. B.; Spangler, L. H.; Hoffbauer, M. A.; Archuleta, F. A.; Leger, Lubert; Visentine, James

1987-01-01

An atomic oxygen exposure facility has been developed for studies of material degradation. The goal of these studies is to provide design criteria and information for the manufacture of long life (20 to 30 years) construction materials for use in LEO. The studies that are being undertaken using the facility will provide: absolute reaction cross sections for use in engineering design problems; formulations of reaction mechanisms; and calibration of flight hardware (mass spectrometers, etc.) in order to directly relate experiments performed in LEO to ground based investigations. The facility consists of: (1) a CW laser sustained discharge source of O atoms having a variable energy up to 5 eV and an intensity between 10(15) and 10(17) O atoms s(-1) cm(-2); (2) an atomic beam formation and diagnostics system consisting of various stages of differential pumping, a mass spectrometer detector, and a time of flight analyzer; (3) a spinning rotor viscometer for absolute O atom flux measurements; and (4) provision for using the system for calibration of actual flight instruments. Surface analysis equipment is available for the characterization of material surfaces before and after exposure to O atoms.

Laser-Assisted Atom Probe Tomography of Deformed Minerals: A Zircon Case Study.

PubMed

La Fontaine, Alexandre; Piazolo, Sandra; Trimby, Patrick; Yang, Limei; Cairney, Julie M

2017-04-01

The application of atom probe tomography to the study of minerals is a rapidly growing area. Picosecond-pulsed, ultraviolet laser (UV-355 nm) assisted atom probe tomography has been used to analyze trace element mobility within dislocations and low-angle boundaries in plastically deformed specimens of the nonconductive mineral zircon (ZrSiO4), a key material to date the earth's geological events. Here we discuss important experimental aspects inherent in the atom probe tomography investigation of this important mineral, providing insights into the challenges in atom probe tomography characterization of minerals as a whole. We studied the influence of atom probe tomography analysis parameters on features of the mass spectra, such as the thermal tail, as well as the overall data quality. Three zircon samples with different uranium and lead content were analyzed, and particular attention was paid to ion identification in the mass spectra and detection limits of the key trace elements, lead and uranium. We also discuss the correlative use of electron backscattered diffraction in a scanning electron microscope to map the deformation in the zircon grains, and the combined use of transmission Kikuchi diffraction and focused ion beam sample preparation to assist preparation of the final atom probe tip.

Free-free opacity in dense plasmas with an average atom model

DOE PAGES

Shaffer, Nathaniel R.; Ferris, Natalie G.; Colgan, James Patrick; ...

2017-02-28

A model for the free-free opacity of dense plasmas is presented. The model uses a previously developed average atom model, together with the Kubo-Greenwood model for optical conductivity. This, in turn, is used to calculate the opacity with the Kramers-Kronig dispersion relations. Furthermore, comparisons to other methods for dense deuterium results in excellent agreement with DFT-MD simulations, and reasonable agreement with a simple Yukawa screening model corrected to satisfy the conductivity sum rule.

Free-free opacity in dense plasmas with an average atom model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shaffer, Nathaniel R.; Ferris, Natalie G.; Colgan, James Patrick

A model for the free-free opacity of dense plasmas is presented. The model uses a previously developed average atom model, together with the Kubo-Greenwood model for optical conductivity. This, in turn, is used to calculate the opacity with the Kramers-Kronig dispersion relations. Furthermore, comparisons to other methods for dense deuterium results in excellent agreement with DFT-MD simulations, and reasonable agreement with a simple Yukawa screening model corrected to satisfy the conductivity sum rule.

Loophole-free Bell test with one atom and less than one photon on average

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sangouard, N.; Bancal, J.-D.; Gisin, N.

2011-11-15

We consider the entanglement between two internal states of a single atom and two photon number states describing either the vacuum or a single photon and thus containing, on average, less than one photon. We show that this intriguing entanglement can be characterized through substantial violations of a Bell inequality by performing homodyne detections on the optical mode. We present the experimental challenges that need to be overcome to pave the way toward a loophole-free Bell test.

Use of immobilized exopeptidases and volatile buffers for analysis of peptides by fast atom bombardment mass spectrometry.

PubMed

Wagner, R M; Fraser, B A

1987-05-01

beta-Lipotrophin (62-77) or Ac-gastrin releasing peptide was incubated with immobilized carboxypeptidase Y or aminopeptidase M. Subsequent aliquots of each incubation mixture were analysed by fast atom bombardment mass spectrometry using a dithiothreitol/dithioerythritol liquid matrix. The use of immobilized enzymes and volatile buffers for exopeptidase digestions enabled rapid and facile separation of enzyme from digestion products. This approach to mass spectral peptide analysis reduced spectral background arising from a glycerol matrix, buffer salts, or enzyme proteins and contaminants, enabling analysis of as little as 200 picomoles of a suitable peptide.

Studies of the chemistry of the nightside ionosphere of Venus

NASA Technical Reports Server (NTRS)

Fox, J. L.

1991-01-01

A combination of numerical modeling and analysis of the Pioneer Venus UADS data base is studied, specifically data from the orbiter ion mass spectrometer (OIMS), orbiter neutral mass spectrometer (ONMS), and orbiter electron temperature probe (OETP). A one dimensional model of the Venus nightside ionosphere was set up in which downward fluxes of atomic ions are introduced at the upper boundary to simulate transport of ions from the dayside. The model shows that the densities of mass-28 ions, CO(+) + N(2+), resulting from an influx of atomic ions from the dayside are quite small, due to the high ionization potentials of CO and N2 that make chemical production difficult. A look at the data reveals that the actual densities of mass-28 ions are quite variable, from values near 10 to more than 10(exp 4) cm(exp -3). The excess mass-28 ions are assumed to be produced by electron precipitation and that the presence of high densities of mass-28 ions is a signature of auroral precipitation. A discussion of the atomic oxygen green line in the nightglow of Venus, which is produced mainly by dissociative recombination of O(2+), is presented. Original calculations of production rates of excited states for models based on Pioneer Venus data are also presented.

Atomic hydrogen propellants: Historical perspectives and future possibilities

NASA Technical Reports Server (NTRS)

Palaszewski, Bryan

1993-01-01

Atomic hydrogen, a very high density free-radical propellant, is anticipated to generate a specific impulse of 600-1500 lb-f sec/lb-mass performance; this may facilitate the development of unique launch vehicles. A development status evaluation is presently given for atomic hydrogen investigations. It is noted that breakthroughs are required in the production, storage, and transfer of atomic hydrogen, before this fuel can become a viable rocket propellant.

Quantization of Differences Between Atomic and Nuclear Rest Masses and Self-organization of Atoms and Nuclei

NASA Astrophysics Data System (ADS)

Gareev, F. A.; Zhidkova, I. E.

2007-03-01

We come to the conclusion that all atomic models based on either the Newton equation and the Kepler laws, or the Maxwell equations, or the Schrodinger and Dirac equations are in reasonable agreement with experimental data. We can only suspect that these equations are grounded on the same fundamental principle(s) which is (are) not known or these equations can be transformed into each other. We proposed a new mechanism of LENR: cooperative processes in the whole system nuclei + atoms + condensed matter - nuclear reactions in plasma - can occur at smaller threshold energies than the corresponding ones on free constituents. We were able to quantize phenomenologically the first time the differences between atomic and nuclear rest masses by the formula: δδM =n1/n2 X 0.0076294 (in MeV/ c^2), ni=1,2,3,.... Note that this quantization rule is justified for atoms and nuclei with different A, N and Z and the nuclei and atoms represent a coherent synchronized systems - a complex of coupled oscillators (resonators). The cooperative resonance synchronization mechanisms can explain how electron volt (atomic-) scale processes can induce and control nuclear MeV (nuclear-) scale processes and reactions., F.A. Gareev, I.E. Zhidkova, E-print arXiv Nucl-th/ 0610002 2006.

Impact-induced concerted mass transport on W surfaces by a voidion mechanism

NASA Astrophysics Data System (ADS)

Mazilova, T. I.; Sadanov, E. V.; Voyevodin, V. N.; Ksenofontov, V. A.; Mikhailovskij, I. M.

2018-03-01

Using low-temperature field ion microscope techniques, we studied at the atomic level morphological evolution of the W surface through bombardment by a beam of several keV He atoms. This technique allows the direct observation of the results of the high energy He atom impact on the elementary damage stages. The formation of the 〈110〉 and 〈100〉 linear vacancy chains and the high relaxation of the near-neighbors of the surface vacancy clusters were revealed. Performed molecular dynamics simulations shows that a single He atom impact triggers the relaxation process of the linear vacancy chain by a substantial decrease of the distance between atoms at both sides of the chain. The observed inward relaxations in W and Mo are an order of magnitude more than that for a single vacancy. It was revealed a novel highly cooperative impact-induced mass transport mechanism on the stepped surface: the formation and motion of a surface spatially delocalized vacancies (voidions). Surface voidions are extremely mobile: the mean velocity of atoms in voidions equals to a substantial portion of the sound velocity. Successive collective translations of the 〈111〉 lines of atoms in adjacent voidions give rise to a concerted gliding motion of great atomic clusters.

Surface Impact Simulations of Helium Nanodroplets

DTIC Science & Technology

2015-06-30

mechanical delocalization of the individual helium atoms in the droplet and the quan- tum statistical effects that accompany the interchange of identical...incorporates the effects of atomic delocaliza- tion by treating individual atoms as smeared-out probability distributions that move along classical...probability density distributions to give effec- tive interatomic potential energy curves that have zero-point averaging effects built into them [25

Effects of Mass Fluctuation on Thermal Transport Properties in Bulk Bi2Te3

NASA Astrophysics Data System (ADS)

Huang, Ben; Zhai, Pengcheng; Yang, Xuqiu; Li, Guodong

2017-05-01

In this paper, we applied large-scale molecular dynamics and lattice dynamics to study the influence of mass fluctuation on thermal transport properties in bulk Bi2Te3, namely thermal conductivity ( K), phonon density of state (PDOS), group velocity ( v g), and mean free path ( l). The results show that total atomic mass change can affect the relevant vibrational frequency on the micro level and heat transfer rate in the macro statistic, hence leading to the strength variation of the anharmonic phonon processes (Umklapp scattering) in the defect-free Bi2Te3 bulk. Moreover, it is interesting to find that the anharmonicity of Bi2Te3 can be also influenced by atomic differences of the structure such as the mass distribution in the primitive cell. Considering the asymmetry of the crystal structure and interatomic forces, it can be concluded by phonon frequency, lifetime, and velocity calculation that acoustic-optical phonon scattering shows the structure-sensitivity to the mass distribution and complicates the heat transfer mechanism, hence resulting in the low lattice thermal conductivity of Bi2Te3. This study is helpful for designing the material with tailored thermal conductivity via atomic substitution.

Direct Measurement of the Mass Difference of 163Ho and 163Dy Solves the Q -Value Puzzle for the Neutrino Mass Determination

NASA Astrophysics Data System (ADS)

Eliseev, S.; Blaum, K.; Block, M.; Chenmarev, S.; Dorrer, H.; Düllmann, Ch. E.; Enss, C.; Filianin, P. E.; Gastaldo, L.; Goncharov, M.; Köster, U.; Lautenschläger, F.; Novikov, Yu. N.; Rischka, A.; Schüssler, R. X.; Schweikhard, L.; Türler, A.

2015-08-01

The atomic mass difference of 163 and 163Dy has been directly measured with the Penning-trap mass spectrometer SHIPTRAP applying the novel phase-imaging ion-cyclotron-resonance technique. Our measurement has solved the long-standing problem of large discrepancies in the Q value of the electron capture in 163Ho determined by different techniques. Our measured mass difference shifts the current Q value of 2555(16) eV evaluated in the Atomic Mass Evaluation 2012 [G. Audi et al., Chin. Phys. C 36, 1157 (2012)] by more than 7 σ to 2833 (30stat)(15sys) eV /c2 . With the new mass difference it will be possible, e.g., to reach in the first phase of the ECHo experiment a statistical sensitivity to the neutrino mass below 10 eV, which will reduce its present upper limit by more than an order of magnitude.

In situ calibration of inductively coupled plasma-atomic emission and mass spectroscopy

DOEpatents

Braymen, S.D.

1996-06-11

A method and apparatus are disclosed for in situ addition calibration of an inductively coupled plasma atomic emission spectrometer or mass spectrometer using a precision gas metering valve to introduce a volatile calibration gas of an element of interest directly into an aerosol particle stream. The present in situ calibration technique is suitable for various remote, on-site sampling systems such as laser ablation or nebulization. 5 figs.

Jet atomization and cavitation induced by interactions between focused ultrasound and a water surfacea)

NASA Astrophysics Data System (ADS)

Tomita, Y.

2014-09-01

Atomization of a jet produced by the interaction of 1 MHz focused ultrasound with a water surface was investigated using high-speed photography. Viewing various aspects of jet behavior, threshold conditions were obtained necessary for water surface elevation and jet breakup, including drop separation and spray formation. In addition, the position of drop atomization, where a single drop separates from the tip of a jet without spraying, showed good correlation with the jet Weber number. For a set of specified conditions, multiple beaded water masses were formed, moving upwards to produce a vigorous jet. Cavitation phenomena occurred near the center of the primary drop-shaped water mass produced at the leading part of the jet; this was accompanied by fine droplets at the neck between the primary and secondary drop-shaped water masses, due to the collapse of capillary waves.

Coherent manipulation of a solid-state artificial atom with few photons.

PubMed

Giesz, V; Somaschi, N; Hornecker, G; Grange, T; Reznychenko, B; De Santis, L; Demory, J; Gomez, C; Sagnes, I; Lemaître, A; Krebs, O; Lanzillotti-Kimura, N D; Lanco, L; Auffeves, A; Senellart, P

2016-06-17

In a quantum network based on atoms and photons, a single atom should control the photon state and, reciprocally, a single photon should allow the coherent manipulation of the atom. Both operations require controlling the atom environment and developing efficient atom-photon interfaces, for instance by coupling the natural or artificial atom to cavities. So far, much attention has been drown on manipulating the light field with atomic transitions, recently at the few-photon limit. Here we report on the reciprocal operation and demonstrate the coherent manipulation of an artificial atom by few photons. We study a quantum dot-cavity system with a record cooperativity of 13. Incident photons interact with the atom with probability 0.95, which radiates back in the cavity mode with probability 0.96. Inversion of the atomic transition is achieved for 3.8 photons on average, showing that our artificial atom performs as if fully isolated from the solid-state environment.

Line splitting and modified atomic decay of atoms coupled with N quantized cavity modes

NASA Astrophysics Data System (ADS)

Zhu, Yifu

1992-05-01

We study the interaction of a two-level atom with N non-degenerate quantized cavity modes including dissipations from atomic decay and cavity damps. In the strong coupling regime, the absorption or emission spectrum of weakly excited atom-cavity system possesses N + 1 spectral peaks whose linewidths are the weighted averages of atomic and cavity linewidths. The coupled system shows subnatural (supernatural) atomic decay behavior if the photon loss rates from the N cavity modes are smaller (larger) than the atomic decay rate. If N cavity modes are degenerate, they can be treated effectively as a single mode. In addition, we present numerical calculations for N = 2 to characterize the system evolution from the weak coupling to strong coupling limits.

Characterization of dilute species within CVD-grown silicon nanowires doped using trimethylboron: protected lift-out specimen preparation for atom probe tomography.

PubMed

Prosa, T J; Alvis, R; Tsakalakos, L; Smentkowski, V S

2010-08-01

Three-dimensional quantitative compositional analysis of nanowires is a challenge for standard techniques such as secondary ion mass spectrometry because of specimen size and geometry considerations; however, it is precisely the size and geometry of nanowires that makes them attractive candidates for analysis via atom probe tomography. The resulting boron composition of various trimethylboron vapour-liquid-solid grown silicon nanowires were measured both with time-of-flight secondary ion mass spectrometry and pulsed-laser atom probe tomography. Both characterization techniques yielded similar results for relative composition. Specialized specimen preparation for pulsed-laser atom probe tomography was utilized and is described in detail whereby individual silicon nanowires are first protected, then lifted out, trimmed, and finally wet etched to remove the protective layer for subsequent three-dimensional analysis.

The density of cometary protons upstream of Comet Halley's bow shock

NASA Astrophysics Data System (ADS)

Neugebauer, M.; Goldstein, B. E.; Balsiger, H.; Neubauer, F. M.; Schwenn, R.; Shelley, E. G.

1989-02-01

Cometary protons picked up by the solar wind were detected by the high energy range spectrometer of the Giotto ion mass spectrometer starting at a cometocentric distance of about 12 million km. On the average, the density of cometary protons varied approximately as the inverse square of the cometocentric distance, reaching a value of 0.11/cu cm just outside the bow shock. The data can be successfully fit to models that include substantial amounts of both slow (1 km/s) and fast (8 km/s or greater) H atoms beyond the bow shock. Large local variations in the density of picked-up protons can be explained on the basis of variations in the direction of the interplanetary magnetic field in upstream regions where pitch angle scattering was weak.

Transport properties and equation of state for HCNO mixtures in and beyond the warm dense matter regime

DOE PAGES

Ticknor, Christopher; Collins, Lee A.; Kress, Joel D.

2015-08-04

We present simulations of a four component mixture of HCNO with orbital free molecular dynamics (OFMD). These simulations were conducted for 5–200 eV with densities ranging between 0.184 and 36.8 g/cm 3. We extract the equation of state from the simulations and compare to average atom models. We found that we only need to add a cold curve model to find excellent agreement. In addition, we studied mass transport properties. We present fits to the self-diffusion and shear viscosity that are able to reproduce the transport properties over the parameter range studied. We compare these OFMD results to models basedmore » on the Coulomb coupling parameter and one-component plasmas.« less

Production of pulsed atomic oxygen beams via laser vaporization methods

NASA Technical Reports Server (NTRS)

Brinza, David E.; Coulter, Daniel R.; Liang, Ranty H.; Gupta, Amitava

1987-01-01

Energetic pulsed atomic oxygen beams were generated by laser-driven evaporation of cryogenically frozen ozone/oxygen films and thin films of indium-tin oxide (ITO). Mass and energy characterization of beams from the ozone/oxygen films were carried out by mass spectrometry. The peak flux, found to occur at 10 eV, is estimated from this data to be 3 x 10(20) m(-2) s(-1). Analysis of the time-of-flight data indicates a number of processes contribute to the formation of the atomic oxygen beam. The absence of metastable states such as the 2p(3) 3s(1) (5S) level of atomic oxygen blown off from ITO films is supported by the failure to observe emission at 777.3 nm from the 2p(3) 3p(1) (5P sub J) levels. Reactive scattering experiments with polymer film targets for atomic oxygen bombardment are planned using a universal crossed molecular beam apparatus.

Electrochemical hydrogen storage alloys and batteries fabricated from Mg containing base alloys

DOEpatents

Ovshinsky, Stanford R.; Fetcenko, Michael A.

1996-01-01

An electrochemical hydrogen storage material comprising: (Base Alloy).sub.a M.sub.b where, Base Alloy is an alloy of Mg and Ni in a ratio of from about 1:2 to about 2:1, preferably 1:1; M represents at least one modifier element chosen from the group consisting of Co, Mn, Al, Fe, Cu, Mo, W, Cr, V, Ti, Zr, Sn, Th, Si, Zn, Li, Cd, Na, Pb, La, Mm, and Ca; b is greater than 0.5, preferably 2.5, atomic percent and less than 30 atomic percent; and a+b=100 atomic percent. Preferably, the at least one modifier is chosen from the group consisting of Co, Mn, Al, Fe, and Cu and the total mass of the at least one modifier element is less than 25 atomic percent of the final composition. Most preferably, the total mass of said at least one modifier element is less than 20 atomic percent of the final composition.

Error assessment in molecular dynamics trajectories using computed NMR chemical shifts.

PubMed

Koes, David R; Vries, John K

2017-01-01

Accurate chemical shifts for the atoms in molecular mechanics (MD) trajectories can be obtained from quantum mechanical (QM) calculations that depend solely on the coordinates of the atoms in the localized regions surrounding atoms of interest. If these coordinates are correct and the sample size is adequate, the ensemble average of these chemical shifts should be equal to the chemical shifts obtained from NMR spectroscopy. If this is not the case, the coordinates must be incorrect. We have utilized this fact to quantify the errors associated with the backbone atoms in MD simulations of proteins. A library of regional conformers containing 169,499 members was constructed from 6 model proteins. The chemical shifts associated with the backbone atoms in each of these conformers was obtained from QM calculations using density functional theory at the B3LYP level with a 6-311+G(2d,p) basis set. Chemical shifts were assigned to each backbone atom in each MD simulation frame using a template matching approach. The ensemble average of these chemical shifts was compared to chemical shifts from NMR spectroscopy. A large systematic error was identified that affected the 1 H atoms of the peptide bonds involved in hydrogen bonding with water molecules or peptide backbone atoms. This error was highly sensitive to changes in electrostatic parameters. Smaller errors affecting the 13 C a and 15 N atoms were also detected. We believe these errors could be useful as metrics for comparing the force-fields and parameter sets used in MD simulation because they are directly tied to errors in atomic coordinates.

All brains are made of this: a fundamental building block of brain matter with matching neuronal and glial masses.

PubMed

Mota, Bruno; Herculano-Houzel, Suzana

2014-01-01

How does the size of the glial and neuronal cells that compose brain tissue vary across brain structures and species? Our previous studies indicate that average neuronal size is highly variable, while average glial cell size is more constant. Measuring whole cell sizes in vivo, however, is a daunting task. Here we use chi-square minimization of the relationship between measured neuronal and glial cell densities in the cerebral cortex, cerebellum, and rest of brain in 27 mammalian species to model neuronal and glial cell mass, as well as the neuronal mass fraction of the tissue (the fraction of tissue mass composed by neurons). Our model shows that while average neuronal cell mass varies by over 500-fold across brain structures and species, average glial cell mass varies only 1.4-fold. Neuronal mass fraction varies typically between 0.6 and 0.8 in all structures. Remarkably, we show that two fundamental, universal relationships apply across all brain structures and species: (1) the glia/neuron ratio varies with the total neuronal mass in the tissue (which in turn depends on variations in average neuronal cell mass), and (2) the neuronal mass per glial cell, and with it the neuronal mass fraction and neuron/glia mass ratio, varies with average glial cell mass in the tissue. We propose that there is a fundamental building block of brain tissue: the glial mass that accompanies a unit of neuronal mass. We argue that the scaling of this glial mass is a consequence of a universal mechanism whereby numbers of glial cells are added to the neuronal parenchyma during development, irrespective of whether the neurons composing it are large or small, but depending on the average mass of the glial cells being added. We also show how evolutionary variations in neuronal cell mass, glial cell mass and number of neurons suffice to determine the most basic characteristics of brain structures, such as mass, glia/neuron ratio, neuron/glia mass ratio, and cell densities.

From Supercomputer Modeling to Highest Mass Resolution in FT-ICR.

PubMed

N Nikolaev, Evgene; N Vladimirov, Gleb; Jertz, Roland; Baykut, Gökhan

2013-01-01

Understanding of behavior of ion ensembles inside FT-ICR cell based on the computer simulation of ion motion gives rise to the new ideas of cell designs. The recently introduced novel FT-ICR cell based on a Penning ion trap with specially shaped excitation and detection electrodes prevents distortion of ion cyclotron motion phases (normally caused by non-ideal electric trapping fields) by averaging the trapping DC electric field during the ion motion in the ICR cell. Detection times of 5 min resulting in resolving power close to 40,000,000 have been reached for reserpine at m/z 609 at a magnetic field of only 7 Tesla. Fine structures of resolved 13Cn isotopic cluster groups could be measured for molecular masses up to 5.7 kDa (insulin) with resolving power of 4,000,000 at 7 Tesla. Based on resolved fine structure patterns atomic compositions can be directly determined using a new developed algorithm for fine structure processing. Mass spectra of proteins and multimers of proteins reaching masses up to 186 kDa (enolase tetramer) could be measured with isotopic resolution. For instance, at 7 Tesla resolving power of 800,000 was achieved for enolase dimer (96 kDa) and 500,000 for molecular masses above 100 kDa. Experimental data indicate that there is practically no limit for the resolving power of this ICR cell except by collisional damping in the ultrahigh vacuum chamber.

The global star formation law of galaxies revisited in the radio continuum

NASA Astrophysics Data System (ADS)

Liu, LiJie; Gao, Yu

2012-02-01

We study the global star formation law, the relation between the gas and star formation rate (SFR) in a sample of 130 local galaxies with infrared (IR) luminosities spanning over three orders of magnitude (109-1012 L⊙), which includes 91 normal spiral galaxies and 39 (ultra)luminous IR galaxies [(U)LIRGs]. We derive their total (atomic and molecular) gas and dense molecular gas masses using newly available HI, CO and HCN data from the literature. The SFR of galaxies is determined from total IR (8-1000 μm) and 1.4 GHz radio continuum (RC) luminosities. The galaxy disk sizes are defined by the de-convolved elliptical Gaussian FWHM of the RC maps. We derive the galaxy disk-averaged SFRs and various gas surface densities, and investigate their relationships. We find that the galaxy disk-averaged surface density of dense molecular gas mass has the tightest correlation with that of SFR (scatter ˜0.26 dex), and is linear in log-log space (power-law slope of N=1.03±0.02) across the full galaxy sample. The correlation between the total gas and SFR surface densities for the full sample has a somewhat larger scatter (˜0.48 dex), and is best fit by a power-law with slope 1.45±0.02. However, the slope changes from ˜1 when only normal spirals are considered, to ˜1.5 when more and more (U)LIRGs are included in the fitting. When different CO-to-H2 conversion factors are used to infer molecular gas masses for normal galaxies and (U)LIRGs, the bi-modal relations claimed recently in CO observations of high-redshift galaxies appear to also exist in local populations of star-forming galaxies.

Laser ablation-inductively coupled plasma mass spectrometry: an emerging technology for detecting rare cells in tissue sections.

PubMed

Managh, Amy J; Hutchinson, Robert W; Riquelme, Paloma; Broichhausen, Christiane; Wege, Anja K; Ritter, Uwe; Ahrens, Norbert; Koehl, Gudrun E; Walter, Lisa; Florian, Christian; Schlitt, Hans J; Reid, Helen J; Geissler, Edward K; Sharp, Barry L; Hutchinson, James A

2014-09-01

Administering immunoregulatory cells to patients as medicinal agents is a potentially revolutionary approach to the treatment of immunologically mediated diseases. Presently, there are no satisfactory, clinically applicable methods of tracking human cells in patients with adequate spatial resolution and target cell specificity over a sufficient period of time. Laser ablation-inductively coupled plasma mass spectrometry (LA-ICP-MS) represents a potential solution to the problem of detecting very rare cells in tissues. In this article, this exquisitely sensitive technique is applied to the tracking of gold-labeled human regulatory macrophages (Mregs) in immunodeficient mice. Optimal conditions for labeling Mregs with 50-nm gold particles were investigated by exposing Mregs in culture to variable concentrations of label: Mregs incubated with 3.5 × 10(9) particles/ml for 1 h incorporated an average of 3.39 × 10(8) Au atoms/cell without loss of cell viability. Analysis of single, gold-labeled Mregs by LA-ICP-MS registered an average of 1.9 × 10(5) counts/cell. Under these conditions, 100% labeling efficiency was achieved, and label was retained by Mregs for ≥36 h. Gold-labeled Mregs adhered to glass surfaces; after 24 h of culture, it was possible to colabel these cells with human-specific (154)Sm-tagged anti-HLA-DR or (174)Yb-tagged anti-CD45 mAbs. Following injection into immunodeficient mice, signals from gold-labeled human Mregs could be detected in mouse lung, liver, and spleen for at least 7 d by solution-based inductively coupled plasma mass spectrometry and LA-ICP-MS. These promising results indicate that LA-ICP-MS tissue imaging has great potential as an analytical technique in immunology. Copyright © 2014 by The American Association of Immunologists, Inc.

COMBINED ANALYSIS OF THORIUM AND FAST NEUTRON DATA AT THE LUNAR SURFACE

DOE Office of Scientific and Technical Information (OSTI.GOV)

O. GASNAULT; W. FELDMAN; ET AL

2001-01-01

The global distribution of the radioactive elements (U, K, Th) at the lunar surface is an important parameter for an understanding of lunar evolution, because they have provided continuous heat over the lifetime of the Moon. Today, only the thorium distribution is available for the whole lunar surface [1]. Another key parameter that characterize the surface of the Moon is the presence of mare basalts. These basalts are concentrated on the nearside and are represented by materials with high-Fe content, sometimes associated with high-Ti. We demonstrated elsewhere that the fast neutron measurement made by Lunar Prospector is representative of themore » average soil atomic mass [2]. is primarily dominated by Fe and Ti in basaltic terranes, and therefore the map of the fast neutrons provides a good delineation of mare basalts. We focus here on the correlated variations of thorium abundances and fast neutron fluxes averaged over areas of 360 km in diameter, in an attempt to provide a better understanding of the thorium emplacement on the surface of the Moon.« less

Copper-65-absorption by men fed intrinsically and extrinsically labeled whole wheat bread

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, P.E.; Lykken, G.I.

Six men were fed a diet composed of conventional foods with all bread as whole wheat bread. Intrinsically labeled /sup 65/Cu bread (containing 6.5 ppm Cu and 48 atom % /sup 65/Cu) was substituted for unlabeled bread for 3 days, and stools were collected for 24 days. Extrinsically labeled bread was then substituted for 3 days and another 24-day stool collection made. /sup 65/Cu excretion was measured by mass spectrometry. Mean Cu intake was 1.10 mg of Cu/day. Average Cu balance was /minus/0.06 /+-/ 0.08 mg/day. Average absorption of the intrinsic copper was 72.2 /+-/ 9.3% and of extrinsic Cumore » 64.2 /+-/ 5.8%. The ratio of extrinsic to intrinsic absorption was 0.906 /+-/ 0.164. Absorption of intrinsic and extrinsic tracers did not differ significantly (p > 0.05) by a paired t-test, and the ratio (E/I) was not significantly different from 1. Use of extrinsic Cu tracers to assess Cu absorption is supported by these results.« less

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations.

PubMed

Chen, Yuhong; Wang, Jing; Yuan, Lihua; Zhang, Meiling; Zhang, Cairong

2017-08-02

The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H₂ molecules is four with the average adsorption energy of -0.429 eV/H₂. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of -0.296 eV/H₂. The adsorption of H₂ molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H₂ molecules and positively charged Sc atoms.

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations

PubMed Central

Chen, Yuhong; Wang, Jing; Yuan, Lihua; Zhang, Meiling

2017-01-01

The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H2 molecules is four with the average adsorption energy of −0.429 eV/H2. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of −0.296 eV/H2. The adsorption of H2 molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H2 molecules and positively charged Sc atoms. PMID:28767084

Cosmogenic Production of Be-7 and Be-10 in Water Targets

NASA Technical Reports Server (NTRS)

Nishiizumi, K.; Finkel, R. C.; Klein, J.; Kohl, C. P.

1996-01-01

We have measured Be-10(t(sub 1/2) = 1.5 x 10(exp 6) years) and Be-7 (t(sub 1/2) = 53.28 days) concentrations in water targets exposed for 1 to 2 years at Echo Lake, Colorado (elevation = 3246 m) and at La Jolla, California (140 m). Neutron monitor data were used to normalize the measured concentrations in order to calculate production rates equivalent to the cosmic ray flux averaged over four solar cycles (43 years). The Be-7 production rates thus obtained correspond to 6.03 +/- 0.07 x 10(exp -6) atom/g.O/s at Echo Lake and 5.06 +/- 0.20 x 10(exp -7) atom/g.O/ s at La Jolla. The Be-10 production rates correspond to 3.14 +/- 0.18 x 10(exp -6) atom/g.O/s at Echo Lake and 2.68 +/- 0.47 x 10(exp -7) atom/g.O/s at La Jolla. When compared with Be-10 production rates determined in Be-10-saturated rocks from the Antarctic and with theoretical calculations based on meteorite and lunar sample data, we find that the million-year average production rate is about 14 - 17% greater than the present production rate averaged over the last four solar cycles. Comparison with production rates determined by measuring glacially polished rocks from the Sierra Nevada in California indicates that average production (based on a revised 13,000-year deglaciation age and a geographic latitude correction) is a about 11% greater than the average over the last four solar cycles. The measured Be-10/Be-7 production ratio in oxygen is 0.52 +/- 0.03 at Echo Lake and 0.55 +/- 0.07 at La Jolla.

Quantification of 60Fe atoms by MC-ICP-MS for the redetermination of the half-life.

PubMed

Kivel, Niko; Schumann, Dorothea; Günther-Leopold, Ines

2013-03-01

In many scientific fields, the half-life of radionuclides plays an important role. The accurate knowledge of this parameter has direct impact on, e.g., age determination of archeological artifacts and of the elemental synthesis in the universe. In order to derive the half-life of a long-lived radionuclide, the activity and the absolute number of atoms have to be analyzed. Whereas conventional radiation measurement methods are typically applied for activity determinations, the latter can be determined with high accuracy by mass spectrometric techniques. Over the past years, the half-lives of several radionuclides have been specified by means of multiple-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) complementary to the earlier reported values mainly derived by accelerator mass spectrometry. The present paper discusses all critical aspects (amount of material, radiochemical sample preparation, interference correction, isotope dilution mass spectrometry, calculation of measurement uncertainty) for a precise analysis of the number of atoms by MC-ICP-MS exemplified for the recently published half-life determination of 60Fe (Rugel et al, Phys Rev Lett 103:072502, 2009).

A molecular dynamics study of thermal transport in nanoparticle doped Argon like solid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shahadat, Muhammad Rubayat Bin, E-mail: rubayat37@gmail.com; Ahmed, Shafkat; Morshed, A. K. M. M.

2016-07-12

Interfacial phenomena such as mass and type of the interstitial atom, nano scale material defect influence heat transfer and the effect become very significant with the reduction of the material size. Non Equilibrium Molecular Dynamics (NEMD) simulation was carried out in this study to investigate the effect of the interfacial phenomena on solid. Argon like solid was considered in this study and LJ potential was used for atomic interaction. Nanoparticles of different masses and different molecular defects were inserted inside the solid. From the molecular simulation, it was observed that a large interfacial mismatch due to change in mass inmore » the homogenous solid causes distortion of the phonon frequency causing increase in thermal resistance. Position of the doped nanoparticles have more profound effect on the thermal conductivity of the solid whereas influence of the mass ratio is not very significant. Interstitial atom positioned perpendicular to the heat flow causes sharp reduction in thermal conductivity. Structural defect caused by the molecular defect (void) also observed to significantly affect the thermal conductivity of the solid.« less

Gamma-ray and neutron dosimetry by EPR and AMS, using tooth enamel from atomic-bomb survivors: a mini review.

PubMed

Nakamura, Nori; Hirai, Yuko; Kodama, Yoshiaki

2012-03-01

The electron paramagnetic resonance (EPR, or electron spin resonance) method was used to measure CO₂⁻· radicals recorded in tooth enamel by exposure to atomic-bomb gamma rays. The EPR-estimated doses (i.e. ⁶⁰Co gamma-ray equivalent dose) were generally in good correlation with cytogenetic data of the same survivors, whereas plots of EPR-estimated dose or cytogenetically estimated dose against DS02 doses turned out to scatter more widely. Because those survivors whose EPR doses were higher (or lower) than DS02 doses tended to show also higher (or lower) responses for cytogenetic responses, the apparent variation appears primarily due to problems in individual DS02 doses rather than the measurement errors associated with the EPR or cytogenetic technique. A part of the enamel samples were also used for evaluation of neutron doses by measuring ⁴¹Ca/⁴⁰Ca ratios using the accelerator mass spectrometry technique. The results for the measured ratios were on average ~85 % of the calculated ratios by DS02 (but within the 95 % confidence bounds of the simulated results), which lends support to DS02-derived neutron doses to the survivors.

Preliminary Spectroscopic Measurements for a Gallium Electromagnetic (GEM) Thruster

NASA Technical Reports Server (NTRS)

Thomas, Robert E.; Burton, Rodney L.; Glumac, Nick G.; Polzin, Kurt A.

2007-01-01

As a propellant option for electromagnetic thrusters, liquid ,gallium appears to have several advantages relative to other propellants. The merits of using gallium in an electromagnetic thruster (EMT) are discussed and estimates of discharge current levels and mass flow rates yielding efficient operation are given. The gallium atomic weight of 70 predicts high efficiency in the 1500-2000 s specific impulse range, making it ideal for higher-thrust, near-Earth missions. A spatially and temporally broad spectroscopic survey in the 220-520 nm range is used to determine which species are present in the plasma and estimate electron temperature. The spectra show that neutral, singly, and doubly ionized gallium species are present in a 20 J, 1.8 kA (peak) are discharge. With graphite present on the insulator to facilitate breakdown, singly and doubly ionized carbon atoms are also present, and emission is observed from molecular carbon (CZ) radicals. A determination of the electron temperature was attempted using relative emission line data, and while the spatially and temporally averaged, spectra don't fit well to single temperatures, the data and presence of doubly ionized gallium are consistent with distributions in the 1-3 eV range.

Investigation of amorphization energies for heavy ion implants into silicon carbide at depths far beyond the projected ranges

NASA Astrophysics Data System (ADS)

Friedland, E.

2017-01-01

At ion energies with inelastic stopping powers less than a few keV/nm, radiation damage is thought to be due to atomic displacements by elastic collisions only. However, it is well known that inelastic processes and non-linear effects due to defect interaction within collision cascades can significantly increase or decrease damage efficiencies. The importance of these processes changes significantly along the ion trajectory and becomes negligible at some distance beyond the projected range, where damage is mainly caused by slowly moving secondary recoils. Hence, in this region amorphization energies should become independent of the ion type and only reflect the properties of the target lattice. To investigate this, damage profiles were obtained from α-particle channeling spectra of 6H-SiC wafers implanted at room temperature with ions in the mass range 84 ⩽ M ⩽ 133, employing the computer code DICADA. An average amorphization dose of (0.7 ± 0.2) dpa and critical damage energy of (17 ± 6) eV/atom are obtained from TRIM simulations at the experimentally observed boundary positions of the amorphous zones.

Energy levels for Ac-212 (Actinium-212)

NASA Astrophysics Data System (ADS)

Sukhoruchkin, S. I.; Soroko, Z. N.

This document is part of Subvolume C `Tables of Excitations of Proton- and Neutron-rich Unstable Nuclei' of Volume 19 `Nuclear States from Charged Particle Reactions' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides energy levels for atomic nuclei of the isotope Ac-212 (actinium, atomic number Z = 89, mass number A = 212).

Petroleum Source Rock Maturation Data Constrain Predictions of Natural Hydrocarbon Seepage into the Atmosphere

NASA Astrophysics Data System (ADS)

Mansfield, M. L.

2013-12-01

Natural seepage of methane from the lithosphere to the atmosphere occurs in regions with large natural gas deposits. According to some authors, it accounts for roughly 5% of the global methane budget. I explore a new approach to estimate methane fluxes based on the maturation of kerogen, which is the hydrocarbon polymer present in petroleum source rocks, and whose pyrolysis leads to the formation of oil and natural gas. The temporal change in the atomic H/C ratio of kerogen lets us estimate the total carbon mass released by it in the form of oil and natural gas. Then the time interval of active kerogen pyrolysis lets us estimate the average annual formation rate of oil and natural gas in any given petroleum system. Obviously, this is an upper bound to the average annual rate at which natural gas seeps into the atmosphere. After adjusting for bio-oxidation of natural gas, I conclude that the average annual seepage rate in the Uinta Basin of eastern Utah is not greater than (3100 × 900) tonne/y. This is (0.5 × 0.15)% of the total flux of methane into the atmosphere over the Basin, as measured during aircraft flights. I speculate about the difference between the regional 0.5% and the global 5% estimates.

Empirical mass formula with proton-neutron interaction

NASA Astrophysics Data System (ADS)

Tachibana, Takahiro; Uno, Masahiro; Yamada, So; Yamada, Masami

1987-12-01

An atomic mass formula consisting of a gross part, and averge even-odd part and an empirical shell part is studied. The gross part is, apart from a small atomic term, taken to be the sum of nucleon rest masses. Coulomb energies and a polynomial in A1/3 and ‖N-Z‖/A. The shell part includes, in addition to proton and neutron support of nuclear magicities and the cooperative deformation effect. After the first construction of such a formula, refinements have been made in two respects. One is a separate treatment of Z=N odd-odd nuclei suggested by a quartet model, and the other is an improvement of the proton neutron interaction term. By these refinements the root-mean-square deviation of calculated masses from the 1986 Audi-Wapstra masses has been reduced from 538 keV to 460 keV.

Combination of atomic force microscopy and mass spectrometry for the detection of target protein in the serum samples of children with autism spectrum disorders

NASA Astrophysics Data System (ADS)

Kaysheva, A. L.; Pleshakova, T. O.; Kopylov, A. T.; Shumov, I. D.; Iourov, I. Y.; Vorsanova, S. G.; Yurov, Y. B.; Ziborov, V. S.; Archakov, A. I.; Ivanov, Y. D.

2017-10-01

Possibility of detection of target proteins associated with development of autistic disorders in children with use of combined atomic force microscopy and mass spectrometry (AFM/MS) method is demonstrated. The proposed method is based on the combination of affine enrichment of proteins from biological samples and visualization of these proteins by AFM and MS analysis with quantitative detection of target proteins.

The AME2016 atomic mass evaluation (I). Evaluation of input data; and adjustment procedures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, W. J.; Audi, G.; Wang, Meng

This paper is the first of two articles (Part I and Part II) that presents the results of the new atomic mass evaluation, Ame2016. It includes complete information on the experimental input data (also including unused and rejected ones), as well as details on the evaluation procedures used to derive the tables of recommended values given in the second part. This article describes the evaluation philosophy and procedures that were implemented in the selection of specific nuclear reaction, decay and mass-spectrometric results. These input values were entered in the least-squares adjustment for determining the best values for the atomic massesmore » and their uncertainties. Details of the calculation and particularities of the Ame are then described. All accepted and rejected data, including outweighted ones, are presented in a tabular format and compared with the adjusted values obtained using the least-squares fit analysis. Differences with the previous Ame2012 evaluation are discussed and specific information is presented for several cases that may be of interest to Ame users. The second Ame2016 article gives a table with the recommended values of atomic masses, as well as tables and graphs of derived quantities, along with the list of references used in both the Ame2016 and the Nubase2016 evaluations (the first paper in this issue). Amdc: http://amdc.impcas.ac.cn/« less

Use of multiple picosecond high-mass molecular dynamics simulations to predict crystallographic B-factors of folded globular proteins.

PubMed

Pang, Yuan-Ping

2016-09-01

Predicting crystallographic B-factors of a protein from a conventional molecular dynamics simulation is challenging, in part because the B-factors calculated through sampling the atomic positional fluctuations in a picosecond molecular dynamics simulation are unreliable, and the sampling of a longer simulation yields overly large root mean square deviations between calculated and experimental B-factors. This article reports improved B-factor prediction achieved by sampling the atomic positional fluctuations in multiple picosecond molecular dynamics simulations that use uniformly increased atomic masses by 100-fold to increase time resolution. Using the third immunoglobulin-binding domain of protein G, bovine pancreatic trypsin inhibitor, ubiquitin, and lysozyme as model systems, the B-factor root mean square deviations (mean ± standard error) of these proteins were 3.1 ± 0.2-9 ± 1 Å 2 for Cα and 7.3 ± 0.9-9.6 ± 0.2 Å 2 for Cγ, when the sampling was done for each of these proteins over 20 distinct, independent, and 50-picosecond high-mass molecular dynamics simulations with AMBER forcefield FF12MC or FF14SB. These results suggest that sampling the atomic positional fluctuations in multiple picosecond high-mass molecular dynamics simulations may be conducive to a priori prediction of crystallographic B-factors of a folded globular protein.

Influence of convection on microstructure

NASA Technical Reports Server (NTRS)

Wilcox, William R.; Caram, Rubens; Mohanty, A. P.; Seth, Jayshree

1990-01-01

In eutectic growth, as the solid phases grow they reject atoms to the liquid. This results in a variation of melt composition along the solid/liquid interface. In the past, mass transfer in eutectic solidification, in the absence of convection, was considered to be governed only by the diffusion induced by compositional gradients. However, mass transfer can also be generated by a temperature gradient. This is called thermotransport, thermomigration, thermal diffusion or the Soret effect. A theoretical model of the influence of the Soret effect on the growth of eutectic alloys is presented. A differential equation describing the compositional field near the interface during unidirectional solidification of a binary eutectic alloy was formulated by including the contributions of both compositional and thermal gradients in the liquid. A steady-state solution of the differential equation was obtained by applying appropriate boundary conditions and accounting for heat flow in the melt. Following that, the average interfacial composition was converted to a variation of undercooling at the interface, and consequently to microstructural parameters. The results obtained show that thermotransport can, under certain circumstances, be a parameter of paramount importance.

Highly sensitive solids mass spectrometer uses inert-gas ion source

NASA Technical Reports Server (NTRS)

1966-01-01

Mass spectrometer provides a recorded analysis of solid material surfaces and bulk. A beam of high-energy inert-gas ions bombards the surface atoms of a sample and converts a percentage into an ionized vapor. The mass spectrum analyzer separates the vapor ionic constituents by mass-to-charge ratio.

The disk averaged star formation relation for Local Volume dwarf galaxies

NASA Astrophysics Data System (ADS)

López-Sánchez, Á. R.; Lagos, C. D. P.; Young, T.; Jerjen, H.

2018-05-01

Spatially resolved H I studies of dwarf galaxies have provided a wealth of precision data. However these high-quality, resolved observations are only possible for handful of dwarf galaxies in the Local Volume. Future H I surveys are unlikely to improve the current situation. We therefore explore a method for estimating the surface density of the atomic gas from global H I parameters, which are conversely widely available. We perform empirical tests using galaxies with resolved H I maps, and find that our approximation produces values for the surface density of atomic hydrogen within typically 0.5 dex of the true value. We apply this method to a sample of 147 galaxies drawn from modern near-infrared stellar photometric surveys. With this sample we confirm a strict correlation between the atomic gas surface density and the star formation rate surface density, that is vertically offset from the Kennicutt-Schmidt relation by a factor of 10 - 30, and significantly steeper than the classical N = 1.4 of Kennicutt (1998). We further infer the molecular fraction in the sample of low surface brightness, predominantly dwarf galaxies by assuming that the star formation relationship with molecular gas observed for spiral galaxies also holds in these galaxies, finding a molecular-to-atomic gas mass fraction within the range of 5-15%. Comparison of the data to available models shows that a model in which the thermal pressure balances the vertical gravitational field captures better the shape of the ΣSFR-Σgas relationship. However, such models fail to reproduce the data completely, suggesting that thermal pressure plays an important role in the disks of dwarf galaxies.

Ortho-para interconversion in cation-water complexes: The case of V + (H 2 O) and Nb + (H 2 O) clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ward, T. B.; Miliordos, E.; Carnegie, P. D.

Vanadium and niobium cation-water complexes, V+(H2O) and Nb+(H2O), are produced by laser vaporization in a pulsed supersonic expansion, mass selected in a time-of-flight spectrometer, and studied with infrared photodissociation spectroscopy using rare gas atom (Ar, Ne) complex predissociation. The vibrational bands measured in the O–H stretching region contain K-type rotational sub-band structure, which provides insight into the structures of these complexes. However, rotational sub-bands do not exhibit the simple patterns seen previously for other metal ion-water complexes. The A rotational constants are smaller than expected and the normal 1:3 intensity ratios for K = even:odd levels for independent ortho:para nuclearmore » spin states are missing for some complexes. We relied on highly correlated internally contracted Multi-Reference Configuration Interaction (icMRCI) and Coupled Cluster [CCSD(T)] electronic structure calculations of those complexes with and without the rare gas atoms to investigate these anomalies. Rare gas atoms were found to bind via asymmetric motifs to the hydrated complexes undergoing large amplitude motions that vibrationally average to quasi-C2v symmetry with significant probability off the C2 axis, thus explaining the reduced A values. Both vanadium and iobium cations exhibit unusually strong nuclear spin coupling to the hydrogen atoms of water, the values of which vary with their electronic state. This catalyzes ortho-para interconversion in some complexes and explains the rotational patterns. The rate of ortho-para relaxation in the equilibrated complexes must therefore be greater than the collisional cooling rate in the supersonic expansion (about 106 sec-1).« less

Ortho-para interconversion in cation-water complexes: The case of V+(H2O) and Nb+(H2O) clusters.

PubMed

Ward, T B; Miliordos, E; Carnegie, P D; Xantheas, S S; Duncan, M A

2017-06-14

Vanadium and niobium cation-water complexes, V + (H 2 O) and Nb + (H 2 O), are produced by laser vaporization in a pulsed supersonic expansion, mass selected in a time-of-flight spectrometer, and studied with infrared photodissociation spectroscopy using rare gas atom (Ar, Ne) complex predissociation. The vibrational bands measured in the O-H stretching region contain K-type rotational sub-band structure, which provides insight into the structures of these complexes. However, rotational sub-bands do not exhibit the simple patterns seen previously for other metal ion-water complexes. The A rotational constants are smaller than expected and the normal 3:1 intensity ratios for K = odd:even levels for independent ortho:para nuclear spin states are missing for some complexes. We relied on highly correlated internally contracted multi-reference configuration interaction and Coupled Cluster [CCSD(T)] electronic structure calculations of those complexes with and without the rare gas atoms to investigate these anomalies. Rare gas atoms were found to bind via asymmetric motifs to the hydrated complexes undergoing large amplitude motions that vibrationally average to the quasi-C 2v symmetry with a significant probability off the C 2 axis, thus explaining the reduced A values. Both vanadium and niobium cations exhibit unusually strong nuclear spin coupling to the hydrogen atoms of water, the values of which vary with their electronic state. This catalyzes ortho-para interconversion in some complexes and explains the rotational patterns. The rate of ortho-para relaxation in the equilibrated complexes must therefore be greater than the collisional cooling rate in the supersonic expansion (about 10 6 s -1 ).

Ortho-para interconversion in cation-water complexes: The case of V+(H2O) and Nb+(H2O) clusters

NASA Astrophysics Data System (ADS)

Ward, T. B.; Miliordos, E.; Carnegie, P. D.; Xantheas, S. S.; Duncan, M. A.

2017-06-01

Vanadium and niobium cation-water complexes, V+(H2O) and Nb+(H2O), are produced by laser vaporization in a pulsed supersonic expansion, mass selected in a time-of-flight spectrometer, and studied with infrared photodissociation spectroscopy using rare gas atom (Ar, Ne) complex predissociation. The vibrational bands measured in the O-H stretching region contain K-type rotational sub-band structure, which provides insight into the structures of these complexes. However, rotational sub-bands do not exhibit the simple patterns seen previously for other metal ion-water complexes. The A rotational constants are smaller than expected and the normal 3:1 intensity ratios for K = odd:even levels for independent ortho:para nuclear spin states are missing for some complexes. We relied on highly correlated internally contracted multi-reference configuration interaction and Coupled Cluster [CCSD(T)] electronic structure calculations of those complexes with and without the rare gas atoms to investigate these anomalies. Rare gas atoms were found to bind via asymmetric motifs to the hydrated complexes undergoing large amplitude motions that vibrationally average to the quasi-C2v symmetry with a significant probability off the C2 axis, thus explaining the reduced A values. Both vanadium and niobium cations exhibit unusually strong nuclear spin coupling to the hydrogen atoms of water, the values of which vary with their electronic state. This catalyzes ortho-para interconversion in some complexes and explains the rotational patterns. The rate of ortho-para relaxation in the equilibrated complexes must therefore be greater than the collisional cooling rate in the supersonic expansion (about 106 s-1).

Evaluation of synthesis characterization and simulation study of magnetic nanoparticles for ammonia synthesis in MIM

NASA Astrophysics Data System (ADS)

Irfan, Muhammad; Yahya, Noorhana; Shafie, Afza; Soleimani, Hassan; Alqasem, Bilal; Rehman, Zia Ur; Qureshi, Saima

2016-11-01

It is generally understood that magnetic energy is much smaller than thermal energy which dominates the chemical equilibrium. Magnetic nanoparticles (NiO) as catalyst were synthesized by chemical reduction routes following micro emulsion method having an average size of 239 nm and 207.2 nm followed by FESEM and TEM analysis respectively. EDX analysis of nanoparticles (NPs) with 90.80 weight% Ni, 9.20 weight % O2 and 72.90 atomic% Ni, 27.10 atomic% O2 falls it into the category of formation of nickel and oxide NPs. TEM for parallel Ni EELs vs intensity is 840.0 eV to 860.0 eV and 70 to 80 respectively. TEM diffraction and fringe spacing analysis of NPs reveals the details about diffraction planes as (200), (311), (400) and lattice parameter 4.136 nm respectively. Both RAMAN spectroscopy and FTIR spectroscopy analysis of NPs elaborate the consistency between peak intensity and RAMAN shift (cm-1) as 318.74 cm-1, 522.78 cm-1, 620.28 cm-1 and 450 cm-1, 515.84 cm-1and 720.08 cm-1 respectively. The saturation magnetization (Ms) of NiO NPs was measured to be 32.524 emu/g by VSM for a specific mass of 14.1x10-3 g. Simulation study based on DFT in term of catalytic effect related to sorbents and sorbates atomistic, thermodynamic and quantum mechanical interactions including adsorption is illustrated in this article using first principal DFT simulation study. The average total energy, average total adsorption energy, average adsorption energy of H2, and N2 over NiO (111) surface are reported as 4.414 kcal/mol, 4.4145 kcal/mol, -1.671 kcal/mol, and 0.869 kcal/mol respectively. Whereas, isosteric heats of adsorption energies for H2, N2 over NiO (111) cleaved surface were calculated to 1.617kcal/mol, and -0.881 kcal/mol respectively. Ammonia synthesis carried out by MIM and peaks were detected by FTIR and yield was quantified by Kjeldahl method in few thousands μmole gcat-1 h-1.

Electronegativity determination of individual surface atoms by atomic force microscopy.

PubMed

Onoda, Jo; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Yoshiaki

2017-04-26

Electronegativity is a fundamental concept in chemistry. Despite its importance, the experimental determination has been limited only to ensemble-averaged techniques. Here, we report a methodology to evaluate the electronegativity of individual surface atoms by atomic force microscopy. By measuring bond energies on the surface atoms using different tips, we find characteristic linear relations between the bond energies of different chemical species. We show that the linear relation can be rationalized by Pauling's equation for polar covalent bonds. This opens the possibility to characterize the electronegativity of individual surface atoms. Moreover, we demonstrate that the method is sensitive to variation of the electronegativity of given atomic species on a surface due to different chemical environments. Our findings open up ways of analysing surface chemical reactivity at the atomic scale.

Electronegativity determination of individual surface atoms by atomic force microscopy

PubMed Central

Onoda, Jo; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Yoshiaki

2017-01-01

Electronegativity is a fundamental concept in chemistry. Despite its importance, the experimental determination has been limited only to ensemble-averaged techniques. Here, we report a methodology to evaluate the electronegativity of individual surface atoms by atomic force microscopy. By measuring bond energies on the surface atoms using different tips, we find characteristic linear relations between the bond energies of different chemical species. We show that the linear relation can be rationalized by Pauling's equation for polar covalent bonds. This opens the possibility to characterize the electronegativity of individual surface atoms. Moreover, we demonstrate that the method is sensitive to variation of the electronegativity of given atomic species on a surface due to different chemical environments. Our findings open up ways of analysing surface chemical reactivity at the atomic scale. PMID:28443645

Superradiance for Atoms Trapped along a Photonic Crystal Waveguide

NASA Astrophysics Data System (ADS)

Goban, A.; Hung, C.-L.; Hood, J. D.; Yu, S.-P.; Muniz, J. A.; Painter, O.; Kimble, H. J.

2015-08-01

We report observations of superradiance for atoms trapped in the near field of a photonic crystal waveguide (PCW). By fabricating the PCW with a band edge near the D1 transition of atomic cesium, strong interaction is achieved between trapped atoms and guided-mode photons. Following short-pulse excitation, we record the decay of guided-mode emission and find a superradiant emission rate scaling as Γ¯SR∝N ¯Γ1 D for average atom number 0.19 ≲N ¯≲2.6 atoms, where Γ1 D/Γ'=1.0 ±0.1 is the peak single-atom radiative decay rate into the PCW guided mode, and Γ' is the radiative decay rate into all the other channels. These advances provide new tools for investigations of photon-mediated atom-atom interactions in the many-body regime.

SSmiles.

ERIC Educational Resources Information Center

Sunal, Dennis W., Ed.; Tracy, Dyanne M., Ed.

1992-01-01

Presents activities to supplement lessons on length and mass measurement or as part of a unit on atoms or orders of magnitude. Provides a lesson plan using aluminum foil to estimate unit measures, calculate the foil's thickness, and do an atom count. (MDH)

Averaging processes in granular flows driven by gravity

NASA Astrophysics Data System (ADS)

Rossi, Giulia; Armanini, Aronne

2016-04-01

One of the more promising theoretical frames to analyse the two-phase granular flows is offered by the similarity of their rheology with the kinetic theory of gases [1]. Granular flows can be considered a macroscopic equivalent of the molecular case: the collisions among molecules are compared to the collisions among grains at a macroscopic scale [2,3]. However there are important statistical differences in dealing with the two applications. In the two-phase fluid mechanics, there are two main types of average: the phasic average and the mass weighed average [4]. The kinetic theories assume that the size of atoms is so small, that the number of molecules in a control volume is infinite. With this assumption, the concentration (number of particles n) doesn't change during the averaging process and the two definitions of average coincide. This hypothesis is no more true in granular flows: contrary to gases, the dimension of a single particle becomes comparable to that of the control volume. For this reason, in a single realization the number of grain is constant and the two averages coincide; on the contrary, for more than one realization, n is no more constant and the two types of average lead to different results. Therefore, the ensamble average used in the standard kinetic theory (which usually is the phasic average) is suitable for the single realization, but not for several realization, as already pointed out in [5,6]. In the literature, three main length scales have been identified [7]: the smallest is the particles size, the intermediate consists in the local averaging (in order to describe some instability phenomena or secondary circulation) and the largest arises from phenomena such as large eddies in turbulence. Our aim is to solve the intermediate scale, by applying the mass weighted average, when dealing with more than one realizations. This statistical approach leads to additional diffusive terms in the continuity equation: starting from experimental results, we aim to define the scales governing the diffusive phenomenon, introducing the diffusive terms following the Boussinesq model. The diffusive coefficient will be experimentally defined; it will be probably proportional to the square root of the granular temperature θ and the diameter of the particles d or, alternatively, the flow height h. REFERENCES 1 Chapman S., Cowling T.G., 1971. Cambridge University Press, Cambridge, England. 2 Jenkins J.T., Savage S.B., 1983 J. Fluid.Mech., 130: 187-202 3 Savage S.B.,1984. J. Fluid.Mech., 24: 289-366 4 D.A.Drew, 1983. Annu. Rev. Fluid Mech. 15:261-291 5 I. Goldhirsch, 2003. Annu. Rev. Fluid Mech., 35:267-293. 6 I. Goldhirsch, 2008. Powder Technology, 182: 130-136. 7 T.J. Hsu, J.T. Jenkins, P.L. Liu 2004. Proc. Royal Soc.

Determining the partial photoionization cross-sections of ethyl radicals.

PubMed

FitzPatrick, B L; Maienschein-Cline, M; Butler, L J; Lee, S-H; Lin, J J

2007-12-13

Using a crossed laser-molecular beam scattering apparatus, these experiments photodissociate ethyl chloride at 193 nm and detect the Cl and ethyl products, resolved by their center-of-mass recoil velocities, with vacuum ultraviolet photoionization. The data determine the relative partial cross-sections for the photoionization of ethyl radicals to form C2H5+, C2H4+, and C2H3+ at 12.1 and 13.8 eV. The data also determine the internal energy distribution of the ethyl radical prior to photoionization, so we can assess the internal energy dependence of the photoionization cross-sections. The results show that the C2H4++H and C2H3++H2 dissociative photoionization cross-sections strongly depend on the photoionization energy. Calibrating the ethyl radical partial photoionization cross-sections relative to the bandwidth-averaged photoionization cross-section of Cl atoms near 13.8 eV allows us to use these data in conjunction with literature estimates of the Cl atom photoionization cross-sections to put the present bandwidth-averaged cross-sections on an absolute scale. The resulting bandwidth-averaged cross-section for the photoionization of ethyl radicals to C2H5+ near 13.8 eV is 8+/-2 Mb. Comparison of our 12.1 eV data with high-resolution ethyl radical photoionization spectra allows us to roughly put the high-resolution spectrum on the same absolute scale. Thus, one obtains the photoionization cross-section of ethyl radicals to C2H5+ from threshold to 12.1 eV. The data show that the onset of the C2H4++H dissociative photoionization channel is above 12.1 eV; this result offers a simple way to determine whether the signal observed in photoionization experiments on complex mixtures is due to ethyl radicals. We discuss an application of the results for resolving the product branching in the O+allyl bimolecular reaction.

Chemical characterization of fine particulate matter in Changzhou, China, and source apportionment with offline aerosol mass spectrometry

NASA Astrophysics Data System (ADS)

Ye, Zhaolian; Liu, Jiashu; Gu, Aijun; Feng, Feifei; Liu, Yuhai; Bi, Chenglu; Xu, Jianzhong; Li, Ling; Chen, Hui; Chen, Yanfang; Dai, Liang; Zhou, Quanfa; Ge, Xinlei

2017-02-01

Knowledge of aerosol chemistry in densely populated regions is critical for effective reduction of air pollution, while such studies have not been conducted in Changzhou, an important manufacturing base and populated city in the Yangtze River Delta (YRD), China. This work, for the first time, performed a thorough chemical characterization on the fine particulate matter (PM2.5) samples, collected during July 2015 to April 2016 across four seasons in this city. A suite of analytical techniques was employed to measure the organic carbon (OC), elemental carbon (EC), water-soluble organic carbon (WSOC), water-soluble inorganic ions (WSIIs), trace elements, and polycyclic aromatic hydrocarbons (PAHs) in PM2.5; in particular, an Aerodyne soot particle aerosol mass spectrometer (SP-AMS) was deployed to probe the chemical properties of water-soluble organic aerosol (WSOA). The average PM2.5 concentration was found to be 108.3 µg m-3, and all identified species were able to reconstruct ˜ 80 % of the PM2.5 mass. The WSIIs occupied about half of the PM2.5 mass (˜ 52.1 %), with SO42-, NO3-, and NH4+ as the major ions. On average, nitrate concentrations dominated over sulfate (mass ratio of 1.21), indicating that traffic emissions were more important than stationary sources. OC and EC correlated well with each other and the highest OC / EC ratio (5.16) occurred in winter, suggesting complex OC sources likely including both secondary and primary ones. Concentrations of eight trace elements (Mn, Zn, Al, B, Cr, Cu, Fe, Pb) can contribute up to ˜ 5.0 % of PM2.5 during winter. PAH concentrations were also high in winter (140.25 ng m-3), which were predominated by median/high molecular weight PAHs with five and six rings. The organic matter including both water-soluble and water-insoluble species occupied ˜ 21.5 % of the PM2.5 mass. SP-AMS determined that the WSOA had average atomic oxygen-to-carbon (O / C), hydrogen-to-carbon (H / C), nitrogen-to-carbon (N / C), and organic matter-to-organic carbon (OM / OC) ratios of 0.54, 1.69, 0.11, and 1.99, respectively. Source apportionment of WSOA further identified two secondary OA (SOA) factors (a less oxidized and a more oxidized oxygenated OA) and two primary OA (POA) factors (a nitrogen-enriched hydrocarbon-like traffic OA and a local primary OA likely including species from cooking, coal combustion, etc.). On average, the POA contribution outweighed SOA (55 % vs. 45 %), indicating the important role of local anthropogenic emissions in the aerosol pollution in Changzhou. Our measurement also shows the abundance of organic nitrogen species in WSOA, and the source analyses suggest these species are likely associated with traffic emissions, which warrants more investigations on PM samples from other locations.

Development of a Plutonium Ceramic Target for the MASHA Separator

NASA Astrophysics Data System (ADS)

Shaughnessy, D. A.; Moody, K. J.; Kenneally, J. M.; Wild, J. F.; Stoyer, M. A.; Lougheed, R. W.; Yeremin, A. V.; Oganessian, Yu. Ts.

2004-04-01

We are participating in the development of the target for the MASHA (Mass Analyzer of Super Heavy Atoms) on-line mass separator in Dubna. Along with recent upgrades of the U400 cyclotron, MASHA will provide for at least a ten-fold increase in the production- and-detection rate for element 114 atoms, and will allow us to measure their atomic masses precisely. The MASHA separator will employ a thick Pu ceramic target capa- ble of tolerating temperatures in the vicinity of 2000 C without vaporizing the actinide compound. Reaction products will diffuse out of the target and will drift to an ECR ion source after which they will be transported through the separator and will impinge on a position-sensitive focal-plane detector array. Furthermore, operation of the MASHA hot target/ion source combination will provide chemical volatility information that will support our assignment of an atomic number of 114 to these nuclei. Taken together, these experiments on MASHA will allow us to make measurements that will cement our identification of element 114 and provide for future experiments in which the chemical properties of the heaviest elements are studied.

CC, CS, and IOS generalized phenomenological cross sections for atom--diatom mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fitz, D.E.; Kouri, D.J.; Evans, D.

1981-05-01

Close coupled expressions for phenomenological cross sections which describe transport properties of atom--diatom mixtures are obtained in the total-J coupling scheme and are related to the bracket integrals of kinetic theory. Coupled states and infinite order sudden expressions for the generalized phenomenological cross sections using initial, final, and average l-labeling are also given. Particular care is taken to use a phase convention for the CS and IOS approximations which is consistent with the Arthurs--Dalgarno formalism and which gives the correct behavior of degeneracy averaged differential cross sections.

Corrigendum to “Atom probe tomography characterization of neutron irradiated surveillance samples from the R.E. Ginna reactor pressure vessel”

DOE PAGES

Edmondson, Philip D.; Miller, Michael K.; Powers, K. A.; ...

2017-03-24

In our recent paper entitled “Atom probe tomography characterization of neutron irradiated surveillance samples from the R. E. Ginna reactor pressure vessel”, we make reference to a table within the article as providing the average compositions of the precipitates, when in fact the bulk compositions were given. In this correction, we present the average precipitate compositions for the data presented in Ref. [1]. These correct compositions are provided for information and do not alter the conclusions of the original manuscript.

From average to local structure: a Rietveld and an atomic pair distribution function (PDF) study of selenium clusters in zeolite-NdY.

PubMed

Abeykoon, A M Milinda; Donner, Wolfgang; Brunelli, Michela; Castro-Colin, Miguel; Jacobson, Allan J; Moss, Simon C

2009-09-23

The structure of Se particles in the approximately 13 A diameter alpha-cages of zeolite NdY has been determined by Rietveld refinement and pair distribution function (PDF) analysis of X-ray data. With the diffuse scattering subtracted an average structure comprised of an undistorted framework containing nanoclusters of 20 Se atoms is observed. The intracluster correlations and the cluster-framework correlations which give rise to diffuse scattering were modeled by using PDF analysis.

Improved Limits on Axionlike-Particle-Mediated P , T -Violating Interactions between Electrons and Nucleons from Electric Dipole Moments of Atoms and Molecules

NASA Astrophysics Data System (ADS)

Stadnik, Y. V.; Dzuba, V. A.; Flambaum, V. V.

2018-01-01

In the presence of P , T -violating interactions, the exchange of axionlike particles between electrons and nucleons in atoms and molecules induces electric dipole moments (EDMs) of atoms and molecules. We perform calculations of such axion-exchange-induced atomic EDMs using the relativistic Hartree-Fock-Dirac method including electron core polarization corrections. We present analytical estimates to explain the dependence of these induced atomic EDMs on the axion mass and atomic parameters. From the experimental bounds on the EDMs of atoms and molecules, including Cs 133 , Tl 205 , Xe 129 , Hg 199 , Yb 171 F 19 , Hf 180 F+ 19 , and Th 232 O 16 , we constrain the P , T -violating scalar-pseudoscalar nucleon-electron and electron-electron interactions mediated by a generic axionlike particle of arbitrary mass. Our limits improve on existing laboratory bounds from other experiments by many orders of magnitude for ma≳10-2 eV . We also place constraints on C P violation in certain types of relaxion models.

Concentration of iodine-129 in surface seawater at subarctic and subtropical circulations in the Japan Sea

NASA Astrophysics Data System (ADS)

Suzuki, Takashi; Otosaka, Shigeyoshi; Togawa, Orihiko

2013-01-01

To investigate the migration of anthropogenic 129I in the environment, we measured 129I concentrations at both subarctic (above 40oN) and subtropical (below 40oN) circulations in the surface seawater of the Japan Sea. The averaged concentrations of stations 193, 194, 201, 206 and 210 above 200 m were (2.1 ± 0.3) × 1010 atoms/m3, (2.0 ± 0.2) × 1010 atoms/m3, (1.6 ± 0.3) × 1010 atoms/m3, (1.4 ± 0.3) × 1010 atoms/m3 and (1.7 ± 0.3) × 1010 atoms/m3, respectively. The averaged concentration at the subarctic circulation in the Japan Sea above 200 m (1.9 × 1010 atoms/m3) was higher than that in the subtropical circulation (1.5 × 1010 atoms/m3). This latitudinal distribution pattern of 129I is not consistent with those of bomb-derived radionuclides such as 14C, 90Sr and 137Cs. Taking into account latitudinal location and the total amount of releases from reprocessing plants, this discriminating latitudinal distribution of 129I in the Japan Sea would indicate that a significant amount of 129I originating from active reprocessing plants in Europe is supplied to the surface of the Japan Sea.

Deciphering chemical order/disorder and material properties at the single-atom level.

PubMed

Yang, Yongsoo; Chen, Chien-Chun; Scott, M C; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R C; Sabirianov, Renat F; Zeng, Hao; Ercius, Peter; Miao, Jianwei

2017-02-01

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling 'real' materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure-property relationships at the fundamental level.

Computer simulation of sputtering induced by swift heavy ions

NASA Astrophysics Data System (ADS)

Kucharczyk, P.; Füngerlings, A.; Weidtmann, B.; Wucher, A.

2018-07-01

New experimental results regarding the mass and charge state distribution of material sputtered under irradiation with swift heavy ions suggest fundamental differences between the ejection mechanisms under electronic and nuclear sputtering conditions. In order to illustrate the difference, computer simulations based on molecular dynamics were performed to model the surface ejection process of atoms and molecules induced by a swift heavy ion track. In a first approach, the track is homogeneously energized by assigning a fixed energy to each atom with randomly oriented direction of motion within a cylinder of a given radius around the projectile ion trace. The remainder of the target crystal is assumed to be at rest, and the resulting lattice dynamics is followed by molecular dynamics. The resulting sputter yield is calculated as a function of track radius and energy and compared to corresponding experimental data in order to find realistic values for the effective deposited lattice energy density. The sputtered material is analyzed with respect to emission angle and energy as well as depth of origin. The results are compared to corresponding data from keV sputter simulations. As a second step of complexity, the homogeneous and monoenergetic lattice energization is replaced by a starting energy distribution described by a local lattice temperature. As a first attempt, the respective temperature is assumed constant within the track, and the results are compared with those obtained from monoenergetic energization with the same average energy per atom.

A comparison of UV surface brightness and HI surface densities for spiral galaxies

NASA Technical Reports Server (NTRS)

Federman, S. R.; Strom, C.

1990-01-01

Shaya and Federman (1987) suggested that the ambient ultraviolet flux at 1000 A permeating a spiral galaxy controls the neutral hydrogen (HI) surface density in the galaxy. They found that the atomic envelopes surrounding small molecular clouds, because of their great number, provide the major contribution to the HI surface density over the stellar disk. The increase in HI surface density with later Hubble types was ascribed to the stronger UV fields from more high-mass stars in later Hubble types. These hypotheses are based on the observations of nearby diffuse interstellar clouds, which show a sharp atomic-to-molecular transition (Savage et al. 1977), and on the theoretical framework introduced by Federman, Glassgold, and Kwan (1979). Atomic envelopes around interstellar clouds in the solar neighborhood arise when a steady state is reached between photodissociation of H2 and the formation of H2 on grains. The photodissociation process involves photons with wavelengths between 912 A and 1108 A. Shaya and Federman used H-alpha flux as an approximate measure for the far UV flux and made their comparisons based on averages over Hubble type. Here, researchers compare, on an individual basis, UV data obtained with space-borne and balloon-borne instruments for galaxies with measurements of HI surface density (Warmels 1988a, b). The comparisons substantiate the conclusion of Shaya and Federman that the far UV field controls the HI content of spiral galaxies.

Atomic Oxygen Erosion Yield Prediction for Spacecraft Polymers in Low Earth Orbit

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Backus, Jane A.; Manno, Michael V.; Waters, Deborah L.; Cameron, Kevin C.; deGroh, Kim K.

2009-01-01

The ability to predict the atomic oxygen erosion yield of polymers based on their chemistry and physical properties has been only partially successful because of a lack of reliable low Earth orbit (LEO) erosion yield data. Unfortunately, many of the early experiments did not utilize dehydrated mass loss measurements for erosion yield determination, and the resulting mass loss due to atomic oxygen exposure may have been compromised because samples were often not in consistent states of dehydration during the pre-flight and post-flight mass measurements. This is a particular problem for short duration mission exposures or low erosion yield materials. However, as a result of the retrieval of the Polymer Erosion and Contamination Experiment (PEACE) flown as part of the Materials International Space Station Experiment 2 (MISSE 2), the erosion yields of 38 polymers and pyrolytic graphite were accurately measured. The experiment was exposed to the LEO environment for 3.95 years from August 16, 2001 to July 30, 2005 and was successfully retrieved during a space walk on July 30, 2005 during Discovery s STS-114 Return to Flight mission. The 40 different materials tested (including Kapton H fluence witness samples) were selected specifically to represent a variety of polymers used in space as well as a wide variety of polymer chemical structures. The MISSE 2 PEACE Polymers experiment used carefully dehydrated mass measurements, as well as accurate density measurements to obtain accurate erosion yield data for high-fluence (8.43 1021 atoms/sq cm). The resulting data was used to develop an erosion yield predictive tool with a correlation coefficient of 0.895 and uncertainty of +/-6.3 10(exp -25)cu cm/atom. The predictive tool utilizes the chemical structures and physical properties of polymers to predict in-space atomic oxygen erosion yields. A predictive tool concept (September 2009 version) is presented which represents an improvement over an earlier (December 2008) version.

Time-of-flight mass spectrographs—From ions to neutral atoms

NASA Astrophysics Data System (ADS)

Möbius, E.; Galvin, A. B.; Kistler, L. M.; Kucharek, H.; Popecki, M. A.

2016-12-01

After their introduction to space physics in the mid 1980s time-of-flight (TOF) spectrographs have become a main staple in spaceborne mass spectrometry. They have largely replaced magnetic spectrometers, except when extremely high mass resolution is required to identify complex molecules, for example, in the vicinity of comets or in planetary atmospheres. In combination with electrostatic analyzers and often solid state detectors, TOF spectrographs have become key instruments to diagnose space plasma velocity distributions, mass, and ionic charge composition. With a variety of implementation schemes that also include isochronous electric field configurations, TOF spectrographs can respond to diverse science requirements. This includes a wide range in mass resolution to allow the separation of medium heavy isotopes or to simply provide distributions of the major species, such as H, He, and O, to obtain information on source tracers or mass fluxes. With a top-hat analyzer at the front end, or in combination with deflectors for three-axis stabilized spacecraft, the distribution function of ions can be obtained with good time resolution. Most recently, the reach of TOF ion mass spectrographs has been extended to include energetic neutral atoms. After selecting the arrival direction with mechanical collimation, followed by conversion to ions, adapted TOF sensors form a new branch of the spectrograph family tree. We review the requirements, challenges, and implementation schemes for ion and neutral atom spectrographs, including potential directions for the future, while largely avoiding overlap with complementary contributions in this special issue.

Controlling stray electric fields on an atom chip for experiments on Rydberg atoms

NASA Astrophysics Data System (ADS)

Davtyan, D.; Machluf, S.; Soudijn, M. L.; Naber, J. B.; van Druten, N. J.; van Linden van den Heuvell, H. B.; Spreeuw, R. J. C.

2018-02-01

Experiments handling Rydberg atoms near surfaces must necessarily deal with the high sensitivity of Rydberg atoms to (stray) electric fields that typically emanate from adsorbates on the surface. We demonstrate a method to modify and reduce the stray electric field by changing the adsorbate distribution. We use one of the Rydberg excitation lasers to locally affect the adsorbed dipole distribution. By adjusting the averaged exposure time we change the strength (with the minimal value less than 0.2 V /cm at 78 μ m from the chip) and even the sign of the perpendicular field component. This technique is a useful tool for experiments handling Rydberg atoms near surfaces, including atom chips.

Interpreting the Atomic Age: Scientific News Coverage of the Atomic Bomb in Representative Newspapers and Magazines.

ERIC Educational Resources Information Center

Barwis, Gail L.

A study examined the coverage of the scientific aspects of the atomic bomb in four representative newspapers (New York "Times," New York "Herald Tribune," Chicago "Daily Tribune," and Boston "Daily Globe") and in 14 general mass circulation magazines in the time period immediately following the dropping of the bomb. Among the conclusions of the…

Protein dynamics as seen by (quasi) elastic neutron scattering.

PubMed

Magazù, S; Mezei, F; Falus, P; Farago, B; Mamontov, E; Russina, M; Migliardo, F

2017-01-01

Elastic and quasielastic neutron scattering studies proved to be efficient probes of the atomic mean square displacement (MSD), a fundamental parameter for the characterization of the motion of individual atoms in proteins and its evolution with temperature and compositional environment. We present a technical overview of the different types of experimental situations and the information quasi-elastic neutron scattering approaches can make available. In particular, MSD can crucially depend on the time scale over which the averaging (building of the "mean") takes place, being defined by the instrumental resolution. Due to their high neutron scattering cross section, hydrogen atoms can be particularly sensitively observed with little interference by the other atoms in the sample. A few examples, including new data, are presented for illustration. The incoherent character of neutron scattering on hydrogen atoms restricts the information obtained to the self-correlations in the motion of individual atoms, simplifying at the same time the data analysis. On the other hand, the (often overlooked) exploration of the averaging time dependent character of MSD is crucial for unambiguous interpretation and can provide a wealth of information on micro- and nanoscale atomic motion in proteins. By properly exploiting the broad range capabilities of (quasi)elastic neutron scattering techniques to deliver time dependent characterization of atomic displacements, they offer a sensitive, direct and simple to interpret approach to exploration of the functional activity of hydrogen atoms in proteins. Partial deuteration can add most valuable selectivity by groups of hydrogen atoms. "This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazù and Dr. Federica Migliardo". Copyright © 2016 Elsevier B.V. All rights reserved.

Fast, low-level detection of strontium-90 and strontium-89 in environmental samples by collinear resonance ionization spectroscopy

NASA Astrophysics Data System (ADS)

Monz, L.; Hohmann, R.; Kluge, H.-J.; Kunze, S.; Lantzsch, J.; Otten, E. W.; Passler, G.; Senne, P.; Stenner, J.; Stratmann, K.; Swendt, K.; Zimmer, K.; Herrmann, G.; Trautmann, N.; Walter, K.

1993-12-01

Environmental assessment in the wake of a nuclear accident requires the rapid determination of the radiotoxic isotopes 89Sr and 90Sr. Useful measurements must be able to detect 10 8 atoms in the presence of about 10 18 atoms of the stable, naturally occurring isotopes. This paper describes a new approach to this problem using resonance ionization spectroscopy in collinear geometry, combined with classical mass separation. After collection and chemical separation, the strontium from a sample is surface-ionized and the ions are accelerated to an energy of about 30 keV. Initially, a magnetic mass separator provides an isotopic selectivity of about 10 6. The ions are then neutralized by charge exchange and the resulting fast strontium atoms are selectively excited into high-lying atomic Rydberg states by narrow-band cw laser light in collinear geometry. The Rydberg atoms are then field-ionized and detected. Thus far, a total isotopic selectivity of S > 10 10 and an overall efficiency of ξ = 5 × 10 -6 have been achieved. The desired detection limit of 10 8 atoms 90Sr has been demonstrated with synthetic samples.

Efficient cold outflows driven by cosmic rays in high-redshift galaxies and their global effects on the IGM

NASA Astrophysics Data System (ADS)

Samui, Saumyadip; Subramanian, Kandaswamy; Srianand, Raghunathan

2018-05-01

We present semi-analytical models of galactic outflows in high-redshift galaxies driven by both hot thermal gas and non-thermal cosmic rays. Thermal pressure alone may not sustain a large-scale outflow in low-mass galaxies (i.e. M ˜ 108 M⊙), in the presence of supernovae feedback with large mass loading. We show that inclusion of cosmic ray pressure allows outflow solutions even in these galaxies. In massive galaxies for the same energy efficiency, cosmic ray-driven winds can propagate to larger distances compared to pure thermally driven winds. On an average gas in the cosmic ray-driven winds has a lower temperature which could aid detecting it through absorption lines in the spectra of background sources. Using our constrained semi-analytical models of galaxy formation (that explains the observed ultraviolet luminosity functions of galaxies), we study the influence of cosmic ray-driven winds on the properties of the intergalactic medium (IGM) at different redshifts. In particular, we study the volume filling factor, average metallicity, cosmic ray and magnetic field energy densities for models invoking atomic cooled and molecular cooled haloes. We show that the cosmic rays in the IGM could have enough energy that can be transferred to the thermal gas in presence of magnetic fields to influence the thermal history of the IGM. The significant volume filling and resulting strength of IGM magnetic fields can also account for recent γ-ray observations of blazars.

Quantitative mass spectrometry of human reticulocytes reveal proteome-wide modifications during maturation.

PubMed

Chu, Trang T T; Sinha, Ameya; Malleret, Benoit; Suwanarusk, Rossarin; Park, Jung E; Naidu, Renugah; Das, Rupambika; Dutta, Bamaprasad; Ong, Seow Theng; Verma, Navin K; Chan, Jerry K; Nosten, François; Rénia, Laurent; Sze, Siu K; Russell, Bruce; Chandramohanadas, Rajesh

2018-01-01

Erythropoiesis is marked by progressive changes in morphological, biochemical and mechanical properties of erythroid precursors to generate red blood cells (RBC). The earliest enucleated forms derived in this process, known as reticulocytes, are multi-lobular and spherical. As reticulocytes mature, they undergo a series of dynamic cytoskeletal re-arrangements and the expulsion of residual organelles, resulting in highly deformable biconcave RBCs (normocytes). To understand the significant, yet neglected proteome-wide changes associated with reticulocyte maturation, we undertook a quantitative proteomics approach. Immature reticulocytes (marked by the presence of surface transferrin receptor, CD71) and mature RBCs (devoid of CD71) were isolated from human cord blood using a magnetic separation procedure. After sub-fractionation into triton-extracted membrane proteins and luminal samples (isobaric tags for relative and absolute quantitation), quantitative mass spectrometry was conducted to identify more than 1800 proteins with good confidence and coverage. While most structural proteins (such as Spectrins, Ankyrin and Band 3) as well as surface glycoproteins were conserved, proteins associated with microtubule structures, such as Talin-1/2 and ß-Tubulin, were detected only in immature reticulocytes. Atomic force microscopy (AFM)-based imaging revealed an extended network of spectrin filaments in reticulocytes (with an average length of 48 nm), which shortened during reticulocyte maturation (average spectrin length of 41 nm in normocytes). The extended nature of cytoskeletal network may partly account for increased deformability and shape changes, as reticulocytes transform to normocytes. © 2017 John Wiley & Sons Ltd.

Variation in the terrestrial isotopic composition and atomic weight of argon

USGS Publications Warehouse

Böhlke, John Karl

2014-01-01

The isotopic composition and atomic weight of argon (Ar) are variable in terrestrial materials. Those variations are a source of uncertainty in the assignment of standard properties for Ar, but they provide useful information in many areas of science. Variations in the stable isotopic composition and atomic weight of Ar are caused by several different processes, including (1) isotope production from other elements by radioactive decay (radiogenic isotopes) or other nuclear transformations (e.g., nucleogenic isotopes), and (2) isotopic fractionation by physical-chemical processes such as diffusion or phase equilibria. Physical-chemical processes cause correlated mass-dependent variations in the Ar isotope-amount ratios (40Ar/36Ar, 38Ar/36Ar), whereas nuclear transformation processes cause non-mass-dependent variations. While atmospheric Ar can serve as an abundant and homogeneous isotopic reference, deviations from the atmospheric isotopic ratios in other Ar occurrences limit the precision with which a standard atomic weight can be given for Ar. Published data indicate variation of Ar atomic weights in normal terrestrial materials between about 39.7931 and 39.9624. The upper bound of this interval is given by the atomic mass of 40Ar, as some samples contain almost pure radiogenic 40Ar. The lower bound is derived from analyses of pitchblende (uranium mineral) containing large amounts of nucleogenic 36Ar and 38Ar. Within this interval, measurements of different isotope ratios (40Ar/36Ar or 38Ar/36Ar) at various levels of precision are widely used for studies in geochronology, water–rock interaction, atmospheric evolution, and other fields.

Evaluation of methods for trace-element determination with emphasis on their usability in the clinical routine laboratory.

PubMed

Bolann, B J; Rahil-Khazen, R; Henriksen, H; Isrenn, R; Ulvik, R J

2007-01-01

Commonly used techniques for trace-element analysis in human biological material are flame atomic absorption spectrometry (FAAS), graphite furnace atomic absorption spectrometry (GFAAS), inductively coupled plasma atomic emission spectrometry (ICP-AES) and inductively coupled plasma mass spectrometry (ICP-MS). Elements that form volatile hydrides, first of all mercury, are analysed by hydride generation techniques. In the absorption techniques the samples are vaporized into free, neutral atoms and illuminated by a light source that emits the atomic spectrum of the element under analysis. The absorbance gives a quantitative measure of the concentration of the element. ICP-AES and ICP-MS are multi-element techniques. In ICP-AES the atoms of the sample are excited by, for example, argon plasma at very high temperatures. The emitted light is directed to a detector, and the optical signals are processed to values for the concentrations of the elements. In ICP-MS a mass spectrometer separates and detects ions produced by the ICP, according to their mass-to-charge ratio. Dilution of biological fluids is commonly needed to reduce the effect of the matrix. Digestion using acids and microwave energy in closed vessels at elevated pressure is often used. Matrix and spectral interferences may cause problems. Precautions should be taken against trace-element contamination during collection, storage and processing of samples. For clinical problems requiring the analysis of only one or a few elements, the use of FAAS may be sufficient, unless the higher sensitivity of GFAAS is required. For screening of multiple elements, however, the ICP techniques are preferable.

On the size and structure of helium snowballs formed around charged atoms and clusters of noble gases.

PubMed

Bartl, Peter; Leidlmair, Christian; Denifl, Stephan; Scheier, Paul; Echt, Olof

2014-09-18

Helium nanodroplets doped with argon, krypton, or xenon are ionized by electrons and analyzed in a mass spectrometer. HenNgx(+) ions containing up to seven noble gas (Ng) atoms and dozens of helium atoms are identified; the high resolution of the mass spectrometer combined with advanced data analysis make it possible to unscramble contributions from isotopologues that have the same nominal mass but different numbers of helium or Ng atoms, such as the magic He20(84)Kr2(+) and the isobaric, nonmagic He41(84)Kr(+). Anomalies in these ion abundances reveal particularly stable ions; several intriguing patterns emerge. Perhaps most astounding are the results for HenAr(+), which show evidence for three distinct, solid-like solvation shells containing 12, 20, and 12 helium atoms. This observation runs counter to the common notion that only the first solvation shell is solid-like but agrees with calculations by Galli et al. for HenNa(+) [J. Phys. Chem. A 2011, 115, 7300] that reveal three shells of icosahedral symmetry. HenArx(+) (2 ≤ x ≤ 7) ions appear to be especially stable if they contain a total of n + x = 19 atoms. A sequence of anomalies in the abundance distribution of HenKrx(+) suggests that rings of six helium atoms are inserted into the solvation shell each time a krypton atom is added to the ionic core, from Kr(+) to Kr3(+). Previously reported strong anomalies at He12Kr2(+) and He12Kr3(+) [Kim , J. H.; et al. J. Chem. Phys. 2006, 124, 214301] are attributed to a contamination. Only minor local anomalies appear in the distributions of HenXex(+) (x ≤ 3). The distributions of HenKr(+) and HenXe(+) show strikingly similar, broad features that are absent from the distribution of HenAr(+); differences are tentatively ascribed to the very different fragmentation dynamics of these ions.

On the Size and Structure of Helium Snowballs Formed around Charged Atoms and Clusters of Noble Gases

PubMed Central

2013-01-01

Helium nanodroplets doped with argon, krypton, or xenon are ionized by electrons and analyzed in a mass spectrometer. HenNgx+ ions containing up to seven noble gas (Ng) atoms and dozens of helium atoms are identified; the high resolution of the mass spectrometer combined with advanced data analysis make it possible to unscramble contributions from isotopologues that have the same nominal mass but different numbers of helium or Ng atoms, such as the magic He2084Kr2+ and the isobaric, nonmagic He4184Kr+. Anomalies in these ion abundances reveal particularly stable ions; several intriguing patterns emerge. Perhaps most astounding are the results for HenAr+, which show evidence for three distinct, solid-like solvation shells containing 12, 20, and 12 helium atoms. This observation runs counter to the common notion that only the first solvation shell is solid-like but agrees with calculations by Galli et al. for HenNa+ [J. Phys. Chem. A2011, 115, 730021568337] that reveal three shells of icosahedral symmetry. HenArx+ (2 ≤ x ≤ 7) ions appear to be especially stable if they contain a total of n + x = 19 atoms. A sequence of anomalies in the abundance distribution of HenKrx+ suggests that rings of six helium atoms are inserted into the solvation shell each time a krypton atom is added to the ionic core, from Kr+ to Kr3+. Previously reported strong anomalies at He12Kr2+ and He12Kr3+ [KimJ. H.; et al. J. Chem. Phys.2006, 124, 21430116774401] are attributed to a contamination. Only minor local anomalies appear in the distributions of HenXex+ (x ≤ 3). The distributions of HenKr+ and HenXe+ show strikingly similar, broad features that are absent from the distribution of HenAr+; differences are tentatively ascribed to the very different fragmentation dynamics of these ions. PMID:24128371

Rapid calculation of accurate atomic charges for proteins via the electronegativity equalization method.

PubMed

Ionescu, Crina-Maria; Geidl, Stanislav; Svobodová Vařeková, Radka; Koča, Jaroslav

2013-10-28

We focused on the parametrization and evaluation of empirical models for fast and accurate calculation of conformationally dependent atomic charges in proteins. The models were based on the electronegativity equalization method (EEM), and the parametrization procedure was tailored to proteins. We used large protein fragments as reference structures and fitted the EEM model parameters using atomic charges computed by three population analyses (Mulliken, Natural, iterative Hirshfeld), at the Hartree-Fock level with two basis sets (6-31G*, 6-31G**) and in two environments (gas phase, implicit solvation). We parametrized and successfully validated 24 EEM models. When tested on insulin and ubiquitin, all models reproduced quantum mechanics level charges well and were consistent with respect to population analysis and basis set. Specifically, the models showed on average a correlation of 0.961, RMSD 0.097 e, and average absolute error per atom 0.072 e. The EEM models can be used with the freely available EEM implementation EEM_SOLVER.

Polymers Erosion and Contamination Experiment Being Developed

NASA Technical Reports Server (NTRS)

deGroh, Kim K.; Banks, Bruce A.; Barney-Barton, Elyse A.; Sechkar, Edward; Hunt, Patricia

1999-01-01

The Polymers Erosion and Contamination Experiment (PEACE) is currently being developed at the NASA Lewis Research Center by the Electro-Physics Branch in conjunction with students and faculty from Hathaway Brown School in Cleveland. The experiment is a Get Away Special Canister shuttle flight experiment sponsored by the American Chemical Society. The two goals of this experiment are (1) to measure ram atomic oxygen erosion rates of approximately 40 polymers that have potential use in space applications and (2) to validate a method for identifying sources of silicone contamination that occur in the shuttle bay. Equipment to be used in this flight experiment is shown in the schematic diagram. Spacecraft materials subjected to attack by atomic oxygen in the space environment experience significant degradation over the span of a typical mission. Therefore, learning the rates of atomic oxygen erosion of a wide variety of polymers would be of great benefit to future missions. PEACE will use two independent techniques to determine the atomic oxygen erosion rates of polymers. Large (1-in.-diameter) samples will be used for obtaining mass loss. Preflight and postflight dehydrated masses will be obtained, and the mass lost during flight will be determined. Small (0.5-in.-diameter) samples will be protected with isolated particles (such as NaCl crystals) and then exposed to the space environment. After flight, the protective particles will be removed (washed off) and atomic force microscopy (AFM) will be used to measure the erosion depth from protected mesas. Erosion depth measurements are more sensitive than traditional mass measurements and are very useful for materials with low erosion yields or with very low fluence missions.

Carbon atom and cluster sputtering under low-energy noble gas plasma bombardment

NASA Astrophysics Data System (ADS)

Oyarzabal, E.; Doerner, R. P.; Shimada, M.; Tynan, G. R.

2008-08-01

Exit-angle resolved carbon atom and cluster (C2 and C3) sputtering yields are measured during different noble gas (Xe, Kr, Ar, Ne, and He) ion bombardments from a plasma, for low incident energies (75-225 eV). A quadrupole mass spectrometer (QMS) is used to detect the fraction of sputtered neutrals that is ionized in the plasma and to obtain the angular distribution by changing the angle between the target normal and the QMS aperture. A one-dimensional Monte Carlo code is used to simulate the interaction of the plasma and the sputtered particles in the region between the sample and the QMS. The effective elastic scattering cross sections of C, C2, and C3 with the different bombarding gas neutrals are obtained by varying the distance between the sample and the QMS and by performing a best fit of the simulation results to the experimental results. The total sputtering yield (C+C2+C3) for each bombarding gas is obtained from weight-loss measurements and the sputtering yield for C, C2, and C3 is then calculated from the integration of the measured angular distribution, taking into account the scattering and ionization of the sputtered particles between the sample and the QMS. We observe undercosine angular distributions of the sputtered atoms and clusters for all the studied bombarding gases and a clear decrease of the atom to cluster (C2 and C3) sputtering ratio as the incident ion mass increases, changing from a carbon atom preferential erosion for the lower incident ion masses (He, Ne, and Ar) to a cluster preferential erosion for the higher incident ion masses (Kr and Xe).

Resolving mass spectral overlaps in atom probe tomography by isotopic substitutions - case of TiSi15N.

PubMed

Engberg, David L J; Johnson, Lars J S; Jensen, Jens; Thuvander, Mattias; Hultman, Lars

2018-01-01

Mass spectral overlaps in atom probe tomography (APT) analyses of complex compounds typically limit the identification of elements and microstructural analysis of a material. This study concerns the TiSiN system, chosen because of severe mass-to-charge-state ratio overlaps of the 14 N + and 28 Si 2+ peaks as well as the 14 N 2 + and 28 Si + peaks. By substituting 14 N with 15 N, mass spectrum peaks generated by ions composed of one or more N atoms will be shifted toward higher mass-to-charge-state ratios, thereby enabling the separation of N from the predominant Si isotope. We thus resolve thermodynamically driven Si segregation on the nanometer scale in cubic phase Ti 1- x Si x 15 N thin films for Si contents 0.08 ≤ x ≤ 0.19 by APT, as corroborated by transmission electron microscopy. The APT analysis yields a composition determination that is in good agreement with energy dispersive X-ray spectroscopy and elastic recoil detection analyses. Additionally, a method for determining good voxel sizes for visualizing small-scale fluctuations is presented and demonstrated for the TiSiN system. Copyright © 2017 Elsevier B.V. All rights reserved.

Molybdenum and carbon atom and carbon cluster sputtering under low-energy noble gas plasma bombardment

NASA Astrophysics Data System (ADS)

Oyarzabal, Eider

Exit-angle resolved Mo atom sputtering yield under Xe ion bombardment and carbon atom and cluster (C2 and C3) sputtering yields under Xe, Kr, Ar, Ne and He ion bombardment from a plasma are measured for low incident energies (75--225 eV). An energy-resolved quadrupole mass spectrometer (QMS) is used to detect the fraction of un-scattered sputtered neutrals that become ionized in the plasma; the angular distribution is obtained by changing the angle between the target and the QMS aperture. A one-dimensional Monte Carlo code is used to simulate the interaction of the plasma and the sputtered particles between the sample and the QMS. The elastic scattering cross-sections of C, C2 and C3 with the different bombarding gas neutrals is obtained by varying the distance between the sample and the QMS and by performing a best fit of the simulation results to the experimental results. Because the results obtained with the QMS are relative, the Mo atom sputtering results are normalized to the existing data in the literature and the total sputtering yield for carbon (C+C 2+C3) for each bombarding gas is obtained from weight loss measurements. The absolute sputtering yield for C, C2 and C 3 is then calculated from the integration of the measured angular distribution, taking into account the scattering and ionization of the sputtered particles between the sample and the QMS. The angular sputtering distribution for Mo has a maximum at theta=60°, and this maximum becomes less pronounced as the incident ion energy increases. The results of the Monte Carlo TRIDYN code simulation for the angular distribution of Mo atoms sputtered by Xe bombardment are in agreement with the experiments. For carbon sputtering under-cosine angular distributions of the sputtered atoms and clusters for all the studied bombarding gases are also observed. The C, C2 and C3 sputtering yield data shows a clear decrease of the atom to cluster (C/C2 and C/C3) sputtering ratio as the incident ion mass increases, changing from a carbon atom preferential erosion for the lower incident ion masses (He, Ne and Ar) to a cluster preferential erosion for the higher incident ion masses (Kr and Xe).

First Measurement of the Atomic Electric Dipole Moment of (225)Ra.

PubMed

Parker, R H; Dietrich, M R; Kalita, M R; Lemke, N D; Bailey, K G; Bishof, M; Greene, J P; Holt, R J; Korsch, W; Lu, Z-T; Mueller, P; O'Connor, T P; Singh, J T

2015-06-12

The radioactive radium-225 ((225)Ra) atom is a favorable case to search for a permanent electric dipole moment. Because of its strong nuclear octupole deformation and large atomic mass, (225)Ra is particularly sensitive to interactions in the nuclear medium that violate both time-reversal symmetry and parity. We have developed a cold-atom technique to study the spin precession of (225)Ra atoms held in an optical dipole trap, and demonstrated the principle of this method by completing the first measurement of its atomic electric dipole moment, reaching an upper limit of |d((225)Ra)|<5.0×10(-22)  e cm (95% confidence).

Negative-Mass Instability of the Spin and Motion of an Atomic Gas Driven by Optical Cavity Backaction

NASA Astrophysics Data System (ADS)

Kohler, Jonathan; Gerber, Justin A.; Dowd, Emma; Stamper-Kurn, Dan M.

2018-01-01

We realize a spin-orbit interaction between the collective spin precession and center-of-mass motion of a trapped ultracold atomic gas, mediated by spin- and position-dependent dispersive coupling to a driven optical cavity. The collective spin, precessing near its highest-energy state in an applied magnetic field, can be approximated as a negative-mass harmonic oscillator. When the Larmor precession and mechanical motion are nearly resonant, cavity mediated coupling leads to a negative-mass instability, driving exponential growth of a correlated mode of the hybrid system. We observe this growth imprinted on modulations of the cavity field and estimate the full covariance of the resulting two-mode state by observing its transient decay during subsequent free evolution.

Empirical mass formula with proton-neutron interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tachibana, T.; Uno, M.; Yamada, S.

An atomic mass formula consisting of a gross part, and averge even-odd part and an empirical shell part is studied. The gross part is, apart from a small atomic term, taken to be the sum of nucleon rest masses. Coulomb energies and a polynomial in A/sup 1/3/ and chemically bondN-Zchemically bond/A. The shell part includes, in addition to proton and neutron support of nuclear magicities and the cooperative deformation effect. After the first construction of such a formula, refinements have been made in two respects. One is a separate treatment of Z = N odd-odd nuclei suggested by a quartetmore » model, and the other is an improvement of the proton neutron interaction term. By these refinements the root-mean-square deviation of calculated masses from the 1986 Audi-Wapstra masses has been reduced from 538 keV to 460 keV.« less

A tandem mass spectrometer for crossed-beam irradiation of mass-selected molecular systems by keV atomic ions

NASA Astrophysics Data System (ADS)

Schwob, Lucas; Lalande, Mathieu; Chesnel, Jean-Yves; Domaracka, Alicja; Huber, Bernd A.; Maclot, Sylvain; Poully, Jean-Christophe; Rangama, Jimmy; Rousseau, Patrick; Vizcaino, Violaine; Adoui, Lamri; Méry, Alain

2018-04-01

In the present paper, we describe a new home-built crossed-beam apparatus devoted to ion-induced ionization and fragmentation of isolated biologically relevant molecular systems. The biomolecular ions are produced by an electrospray ionization source, mass-over-charge selected, accumulated in a 3D ion trap, and then guided to the extraction region of an orthogonal time-of-flight mass spectrometer. Here, the target molecular ions interact with a keV atomic ion beam produced by an electron cyclotron resonance ion source. Cationic products from the collision are detected on a position sensitive detector and analyzed by time-of-flight mass spectrometry. A detailed description of the operation of the setup is given, and early results from irradiation of a protonated pentapeptide (leucine-enkephalin) by a 7 keV He+ ion beam are presented as a proof-of-principle.

[Recent Development of Atomic Spectrometry in China].

PubMed

Xiao, Yuan-fang; Wang, Xiao-hua; Hang, Wei

2015-09-01

As an important part of modern analytical techniques, atomic spectrometry occupies a decisive status in the whole analytical field. The development of atomic spectrometry also reflects the continuous reform and innovation of analytical techniques. In the past fifteen years, atomic spectrometry has experienced rapid development and been applied widely in many fields in China. This review has witnessed its development and remarkable achievements. It contains several directions of atomic spectrometry, including atomic emission spectrometry (AES), atomic absorption spectrometry (AAS), atomic fluorescence spectrometry (AFS), X-ray fluorescence spectrometry (XRF), and atomic mass spectrometry (AMS). Emphasis is put on the innovation of the detection methods and their applications in related fields, including environmental samples, biological samples, food and beverage, and geological materials, etc. There is also a brief introduction to the hyphenated techniques utilized in atomic spectrometry. Finally, the prospects of atomic spectrometry in China have been forecasted.

Mg I as a probe of the solar chromosphere - The atomic model

NASA Technical Reports Server (NTRS)

Mauas, Pablo J.; Avrett, Eugene H.; Loeser, Rudolf

1988-01-01

This paper presents a complete atomic model for Mg I line synthesis, where all the atomic parameters are based on recent experimental and theoretical data. It is shown how the computed profiles at 4571 A and 5173 A are influenced by the choice of these parameters and the number of levels included in the model atom. In addition, observed profiles of the 5173 A b2 line and theoretical profiles for comparison (based on a recent atmospheric model for the average quiet sun) are presented.

Chemical and physical characteristics of long-range transport submicron particles at the central Tibet Plateau

NASA Astrophysics Data System (ADS)

Xu, J.; Zhang, Q.; Shi, J.; Ge, X.; Xie, C.; Wang, J.

2016-12-01

Tibetan Plateau, the biggest and highest plateau on the Earth, is an ideal location for studying long range transport of air pollution due to the minimum of local emission. Recent studies in this region have revealed a significant influx of air pollution from south Asia during pre-monsoon period because of the favorable atmospheric circulation and less precipitation. In order to characterize the chemical composition of aerosol particles in this pristine area and elucidate the sources and optical properties of transported aerosol pollutants, we conducted an intensive field study during June 2015 at a high elevation station (4730 m a.s.l) on the central Tibetan Plateau by deploying a suite of advanced instruments including an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS), a nephelometer, and a multi-angle absorption photometer (MAAP). The average mass concentration of submicron particular matter (PM1) for the whole campaign period was 1.85 µg m-3, with organics accounting for 64% of the mass, followed by sulfate (16%), black carbon (9%), ammonium (8%), and nitrate (3%). The mass concentrations and chemical properties of PM1 were significantly different between pre-monsoon and monsoon periods. Elevated aerosol pollution episodes were observed during pre-monsoon period, while aerosol concentrations were persistently low during monsoon period. Aerosol composition was generally similar during the whole campaign period. However, organic aerosol was more oxidized during premonsoon period with an average atomic oxygen-to-carbon (O/C) ratio of = 0.7 compared to O/C = 0.52 during monsoon period. HYSPLIT trajectory calculations revealed that most of the arriving air masses traveled long distances (>1,000 km) and went through the northwest of India during premonsoon period. Positive matrix factorization of the HR-ToF-AMS spectra of organic aerosol identified two oxygenated organic aerosol (OOA) factors - a less oxidized OOA (LO-OOA) and a more oxidized OOA (MO-OOA). Further, the temporal variation of aerosol optical properties including aerosol extinction, scattering, absorption coefficients and single scattering, and chemical impacts on these optical properties are statistically evaluated.

Production and reactions of silicon atoms in hot wire deposition of amorphous silicon

NASA Astrophysics Data System (ADS)

Zheng, Wengang; Gallagher, Alan

2003-10-01

Decomposing silane and hydrogen molecules on a hot tungsten filament is an alternative method of depositing hydrogenated microcrystal and amorphous Si for thin-film semmiconductor devices. This "hot-wire" method can have significant advantages, such as high film deposition rates. The deposition chemistry involves Si and H atoms released from the filament, followed by their reactions with the vapor and surfaces. To establish these deposition pathways, we measure radicals at the substrate with a home built, threshold ionization mass spectrometer. The design and operation of this mass spectrometer for radical detection, and the behavior of Si atom production and reactions, will be presented. This work is supported by the National Renewable Energy Laboratory, Golden, CO 80401

Peptide crystal simulations reveal hidden dynamics

PubMed Central

Janowski, Pawel A.; Cerutti, David S.; Holton, James; Case, David A.

2013-01-01

Molecular dynamics simulations of biomolecular crystals at atomic resolution have the potential to recover information on dynamics and heterogeneity hidden in the X-ray diffraction data. We present here 9.6 microseconds of dynamics in a small helical peptide crystal with 36 independent copies of the unit cell. The average simulation structure agrees with experiment to within 0.28 Å backbone and 0.42 Å all-atom rmsd; a model refined against the average simulation density agrees with the experimental structure to within 0.20 Å backbone and 0.33 Å all-atom rmsd. The R-factor between the experimental structure factors and those derived from this unrestrained simulation is 23% to 1.0 Å resolution. The B-factors for most heavy atoms agree well with experiment (Pearson correlation of 0.90), but B-factors obtained by refinement against the average simulation density underestimate the coordinate fluctuations in the underlying simulation where the simulation samples alternate conformations. A dynamic flow of water molecules through channels within the crystal lattice is observed, yet the average water density is in remarkable agreement with experiment. A minor population of unit cells is characterized by reduced water content, 310 helical propensity and a gauche(−) side-chain rotamer for one of the valine residues. Careful examination of the experimental data suggests that transitions of the helices are a simulation artifact, although there is indeed evidence for alternate valine conformers and variable water content. This study highlights the potential for crystal simulations to detect dynamics and heterogeneity in experimental diffraction data, as well as to validate computational chemistry methods. PMID:23631449

Effective Inertial Frame in an Atom Interferometric Test of the Equivalence Principle

NASA Astrophysics Data System (ADS)

Overstreet, Chris; Asenbaum, Peter; Kovachy, Tim; Notermans, Remy; Hogan, Jason M.; Kasevich, Mark A.

2018-05-01

In an ideal test of the equivalence principle, the test masses fall in a common inertial frame. A real experiment is affected by gravity gradients, which introduce systematic errors by coupling to initial kinematic differences between the test masses. Here we demonstrate a method that reduces the sensitivity of a dual-species atom interferometer to initial kinematics by using a frequency shift of the mirror pulse to create an effective inertial frame for both atomic species. Using this method, we suppress the gravity-gradient-induced dependence of the differential phase on initial kinematic differences by 2 orders of magnitude and precisely measure these differences. We realize a relative precision of Δ g /g ≈6 ×10-11 per shot, which improves on the best previous result for a dual-species atom interferometer by more than 3 orders of magnitude. By reducing gravity gradient systematic errors to one part in 1 013 , these results pave the way for an atomic test of the equivalence principle at an accuracy comparable with state-of-the-art classical tests.

Backscattering spectrometry device for identifying unknown elements present in a workpiece

DOEpatents

Doyle, Barney L.; Knapp, James A.

1991-01-01

A backscattering spectrometry method and device for identifying and quantifying impurities in a workpiece during processing and manufacturing of that workpiece. While the workpiece is implanted with an ion beam, that same ion beam backscatters resulting from collisions with known atoms and with impurities within the workpiece. Those ions backscatter along a predetermined scattering angle and are filtered using a self-supporting filter to stop the ions with a lower energy because they collided with the known atoms of the workpiece of a smaller mass. Those ions which pass through the filter have a greater energy resulting from impact with impurities having a greater mass than the known atoms of the workpiece. A detector counts the number and measures the energy of the ions which pass through the filter. From the energy determination and knowledge of the scattering angle, a mass calculation determines the identity, and from the number and solid angle of the scattering angle, a relative concentration of the impurity is obtained.

Analysis of the effects of atomic mass, jet velocity, and radiative cooling on the dimensionless parameters of counter-propagating, weakly collisional plasma flows

NASA Astrophysics Data System (ADS)

Collins, Gilbert; Valenzuela, Julio; Beg, Farhat

2016-10-01

We have studied the collision of counter-propagating plasma flows using opposing conical wire arrays driven by the 200kA, 150ns rise-time `GenASIS' driver. These plasma flows produced weakly collisional, well-defined bow-shock structures. Varying initial parameters such as the opening angle of the array and the atomic mass of the wires allowed us to modify quantities such as the density contrast between jets, intra-jet mean free path (λmfp, scales with v, atomic mass A, and ionization state Zi-4) , Reynolds number (Re, scales with AZ), and the Peclet number (Pe, scales with Z). We calculate these dimensionless quantities using schlieren imagery, interferometry, and emission data, and determine whether they meet the scaling criteria necessary for the comparison to and subsequent study of astrophysical plasmas. This work was partially supported by the Department of Energy Grant Number DE-SC0014493.

Advanced Electrochemistry of Individual Metal Clusters Electrodeposited Atom by Atom to Nanometer by Nanometer.

PubMed

Kim, Jiyeon; Dick, Jeffrey E; Bard, Allen J

2016-11-15

Metal clusters are very important as building blocks for nanoparticles (NPs) for electrocatalysis and electroanalysis in both fundamental and applied electrochemistry. Attention has been given to understanding of traditional nucleation and growth of metal clusters and to their catalytic activities for various electrochemical applications in energy harvesting as well as analytical sensing. Importantly, understanding the properties of these clusters, primarily the relationship between catalysis and morphology, is required to optimize catalytic function. This has been difficult due to the heterogeneities in the size, shape, and surface properties. Thus, methods that address these issues are necessary to begin understanding the reactivity of individual catalytic centers as opposed to ensemble measurements, where the effect of size and morphology on the catalysis is averaged out in the measurement. This Account introduces our advanced electrochemical approaches to focus on each isolated metal cluster, where we electrochemically fabricated clusters or NPs atom by atom to nanometer by nanometer and explored their electrochemistry for their kinetic and catalytic behavior. Such approaches expand the dimensions of analysis, to include the electrochemistry of (1) a discrete atomic cluster, (2) solely a single NP, or (3) individual NPs in the ensemble sample. Specifically, we studied the electrocatalysis of atomic metal clusters as a nascent electrocatalyst via direct electrodeposition on carbon ultramicroelectrode (C UME) in a femtomolar metal ion precursor. In addition, we developed tunneling ultramicroelectrodes (TUMEs) to study electron transfer (ET) kinetics of a redox probe at a single metal NP electrodeposited on this TUME. Owing to the small dimension of a NP as an active area of a TUME, extremely high mass transfer conditions yielded a remarkably high standard ET rate constant, k 0 , of 36 cm/s for outer-sphere ET reaction. Most recently, we advanced nanoscale scanning electrochemical microscopy (SECM) imaging to resolve the electrocatalytic activity of individual electrodeposited NPs within an ensemble sample yielding consistent high k 0 values of ≥2 cm/s for the hydrogen oxidation reaction (HOR) at different NPs. We envision that our advanced electrochemical approaches will enable us to systematically address structure effects on the catalytic activity, thus providing a quantitative guideline for electrocatalysts in energy-related applications.

High-Resolution Coarse-Grained Modeling Using Oriented Coarse-Grained Sites.

PubMed

Haxton, Thomas K

2015-03-10

We introduce a method to bring nearly atomistic resolution to coarse-grained models, and we apply the method to proteins. Using a small number of coarse-grained sites (about one per eight atoms) but assigning an independent three-dimensional orientation to each site, we preferentially integrate out stiff degrees of freedom (bond lengths and angles, as well as dihedral angles in rings) that are accurately approximated by their average values, while retaining soft degrees of freedom (unconstrained dihedral angles) mostly responsible for conformational variability. We demonstrate that our scheme retains nearly atomistic resolution by mapping all experimental protein configurations in the Protein Data Bank onto coarse-grained configurations and then analytically backmapping those configurations back to all-atom configurations. This roundtrip mapping throws away all information associated with the eliminated (stiff) degrees of freedom except for their average values, which we use to construct optimal backmapping functions. Despite the 4:1 reduction in the number of degrees of freedom, we find that heavy atoms move only 0.051 Å on average during the roundtrip mapping, while hydrogens move 0.179 Å on average, an unprecedented combination of efficiency and accuracy among coarse-grained protein models. We discuss the advantages of such a high-resolution model for parametrizing effective interactions and accurately calculating observables through direct or multiscale simulations.

The application of quasi-steady approximation in atomic kinetics in simulation of hohlraum radiation drive

NASA Astrophysics Data System (ADS)

Ren, Guoli; Pei, Wenbing; Lan, Ke; Li, Xin; Hohlraum Physics Team

2014-10-01

In current routine 2D simulation of hohlraum physics, we adopt the principal-quantum-number (n-level) average atom model (AAM) in NLTE plasma description. The more sophisticated atomic kinetics description is better choice, but the in-line calculation consumes much more resource. By distinguishing the much more fast bound-bound atomic processes from the relative slow bound-free atomic processes, we found a method to built up a bound electron distribution (n-level or nl-level) using in-line n-level calculated plasma condition (such as temperature, density, average ionization degree). We name this method ``quasi-steady approximation.'' Using this method and the plasma condition calculated under n-level, we re-build the nl-level bound electron distribution (Pnl), and acquire a new hohlraum radiative drive by post-processing. Comparison with the n-level post-processed hohlraum drive shows that we get an almost identical radiation flux but with more-detailed frequency-dependant structures. Also we use this method in the benchmark gold sphere experiment, the constructed nl-level radiation drive resembles the experimental results and DCA results, while the n-level raditation does not.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isotalo, Aarno

A method referred to as tally nuclides is presented for accurately and efficiently calculating the time-step averages and integrals of any quantities that are weighted sums of atomic densities with constant weights during the step. The method allows all such quantities to be calculated simultaneously as a part of a single depletion solution with existing depletion algorithms. Some examples of the results that can be extracted include step-average atomic densities and macroscopic reaction rates, the total number of fissions during the step, and the amount of energy released during the step. Furthermore, the method should be applicable with several depletionmore » algorithms, and the integrals or averages should be calculated with an accuracy comparable to that reached by the selected algorithm for end-of-step atomic densities. The accuracy of the method is demonstrated in depletion calculations using the Chebyshev rational approximation method. Here, we demonstrate how the ability to calculate energy release in depletion calculations can be used to determine the accuracy of the normalization in a constant-power burnup calculation during the calculation without a need for a reference solution.« less

Determination of total tin in geological materials by electrothermal atomic-absorption spectrophotometry using a tungsten-impregnated graphite furnace

USGS Publications Warehouse

Zhou, L.; Chao, T.T.; Meier, A.L.

1984-01-01

An electrothermal atomic-absorption spectrophotometric method is described for the determination of total tin in geological materials, with use of a tungsten-impregnated graphite furnace. The sample is decomposed by fusion with lithium metaborate and the melt is dissolved in 10% hydrochloric acid. Tin is then extracted into trioctylphosphine oxide-methyl isobutyl ketone prior to atomization. Impregnation of the furnace with a sodium tungstate solution increases the sensitivity of the determination and improves the precision of the results. The limits of determination are 0.5-20 ppm of tin in the sample. Higher tin values can be determined by dilution of the extract. Replicate analyses of eighteen geological reference samples with diverse matrices gave relative standard deviations ranging from 2.0 to 10.8% with an average of 4.6%. Average tin values for reference samples were in general agreement with, but more precise than, those reported by others. Apparent recoveries of tin added to various samples ranged from 95 to 111% with an average of 102%. ?? 1984.

Calculating Time-Integral Quantities in Depletion Calculations

DOE PAGES

Isotalo, Aarno

2016-06-02

A method referred to as tally nuclides is presented for accurately and efficiently calculating the time-step averages and integrals of any quantities that are weighted sums of atomic densities with constant weights during the step. The method allows all such quantities to be calculated simultaneously as a part of a single depletion solution with existing depletion algorithms. Some examples of the results that can be extracted include step-average atomic densities and macroscopic reaction rates, the total number of fissions during the step, and the amount of energy released during the step. Furthermore, the method should be applicable with several depletionmore » algorithms, and the integrals or averages should be calculated with an accuracy comparable to that reached by the selected algorithm for end-of-step atomic densities. The accuracy of the method is demonstrated in depletion calculations using the Chebyshev rational approximation method. Here, we demonstrate how the ability to calculate energy release in depletion calculations can be used to determine the accuracy of the normalization in a constant-power burnup calculation during the calculation without a need for a reference solution.« less

Identification of arsenobetaine in sole, lemon sole, flounder, dab, crab and shrimps by field desorption and fast atom bombardment mass spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luten, J.B.; Riekwel-Booy, G.; Greef, M.C.

1983-01-01

Organo-arsenic has been isolated from sole, lemon sole, flounder, dab, crab and shrimps by extraction or ion-exchange in combination with thin-layer chromatography. An alkaline digestion of the samples, followed by a reduction with sodiumborohydride leads to the formation of trimethylarsine. Field desorption mass spectrometry (FDMS) can be used to identify arsenobetaine in the isolates. Sufficient purification by thin-layer chromatography is found to be a prerequisite for the detection of a protonated molecular ion of arsenobetaine. If this situation is not met acid enchanced FDMS or Fast Atom Bombardment mass spectrometry in high resolution can be used successfully.

Decoupling of Solid 4He Layers under the Superfluid Overlayer

NASA Astrophysics Data System (ADS)

Ishibashi, Kenji; Hiraide, Jo; Taniguchi, Junko; Suzuki, Masaru

2018-03-01

It has been reported that in a large oscillation amplitude, the mass decoupling of multilayer 4He films adsorbed on graphite results from the depinning of the second solid atomic layer. This decoupling suddenly vanishes below a certain low temperature TD due to the cancellation of mass decoupling by the superfluid counterflow of the the overylayer. We studied the relaxation of the depinned state at various temperatures, after reduction of oscillation amplitude below TD . It was found that above the superfluid transition temperature the mass decoupling revives with a relaxation time of several 100 s. It strongly supports that the depinned state of the second solid atomic layer remains underneath the superfluid overlayer.

Manifold and method of batch measurement of Hg-196 concentration using a mass spectrometer

DOEpatents

Grossman, Mark W.; Evans, Roger

1991-01-01

A sample manifold and method of its use has been developed so that milligram quantities of mercury can be analyzed mass spectroscopically to determine the .sup.196 Hg concentration to less than 0.02 atomic percent. Using natural mercury as a standard, accuracy of .+-.0.002 atomic percent can be obtained. The mass spectrometer preferably used is a commercially available GC/MS manufactured by Hewlett Packard. A novel sample manifold is contained within an oven allowing flow rate control of Hg into the MS. Another part of the manifold connects to an auxiliary pumping system which facilitates rapid clean up of residual Hg in the manifold. Sample cycle time is about 1 hour.

Energy dependence of the trapping of uranium atoms by aluminum oxide surfaces

NASA Technical Reports Server (NTRS)

Librecht, K. G.

1979-01-01

The energy dependence of the trapping probability for sputtered U-235 atoms striking an oxidized aluminum collector surface at energies between 1 eV and 184 eV was measured. At the lowest energies, approximately 10% of the uranium atoms are not trapped, while above 10 eV essentially all of them stick. Trapping probabilities averaged over the sputtered energy distribution for uranium incident on gold and mica are also presented.

Mass loss of shuttle space suit orthofabric under simulated ionospheric atomic oxygen bombardment

NASA Technical Reports Server (NTRS)

Miller, W. L.

1985-01-01

Many polymeric materials used for thermal protection and insulation on spacecraft degrade significantly under prolonged bombardment by ionospheric atomic oxygen. The covering fabric of the multilayered shuttle space suit is composed of a loose weave of GORE-TEX fibers, Nomex and Kevlar-29, which are all polymeric materials. The complete evaluation of suit fabric degradation from ionospheric atomic oxygen is of importance in reevaluating suit lifetime and inspection procedures. The mass loss and visible physical changes of each test sample was determined. Kapton control samples and data from previous asher and flight tests were used to scale the results to reflect ionospheric conditions at about 220 km altitude. It is predicted that the orthofabric loses mass in the ionosphere at a rate of about 66% of the original orthofabric mass/yr. The outer layer of the two-layer orthofabric test samples shows few easily visible signs of degradation, even when observed at 440X. It is concluded that the orthofabric could suffer significant loss of performance after much less than a year of total exposure time, while the degradation might be undetectable in post flight visual examinations of space suits.

Deciphering chemical order/disorder and material properties at the single-atom level

DOE PAGES

Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; ...

2017-02-01

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less

Mechanisms of boron fiber strengthening by thermal treatment

NASA Technical Reports Server (NTRS)

Dicarlo, J. A.

1979-01-01

The fracture strain for boron on tungsten fibers can be improved by heat treatment under vacuum or argon environments. The mechanical basis for this improvement is thermally-induced axial contraction of the entire fiber, whereby strength-controlling core flaws are compressed and fiber fracture strain increased by the value of the contraction strain. By highly sensitive measurements of fiber density and volume, the physical mechanisms responsible for contraction under both environments was identified as boron atom diffusion out of the fiber sheath. The fiber contracts because the average volume of the resulting microvoid was determined to be only 0.26 + or - 0.09 the average atomic volume of the removed atom. The basic and practical implications of these results are discussed with particular emphasis on the theory, use, and limitations of heat-induced contraction as a simple cost-effective secondary processing method.

The project of the mass separator of atomic nuclei produced in heavy ion induced reactions

NASA Astrophysics Data System (ADS)

Oganessian, Yu. Ts.; Shchepunov, V. A.; Dmitriev, S. N.; Itkis, M. G.; Gulbekyan, G. G.; Khabarov, M. V.; Bekhterev, V. V.; Bogomolov, S. L.; Efremov, A. A.; Pashenko, S. V.; Stepantsov, S. V.; Yeremin, A. V.; Yavor, M. I.; Kalimov, A. G.

2003-05-01

A new separator and mass analyzer, named MASHA (mass analyzer of super heavy atoms), has been designed at the Flerov Laboratory JINR Dubna to separate and measure masses of nuclei and molecules with precision better than 10 -3. The set up can work in the wide mass range from A≈20 to A≈500, its mass acceptance is as large as ±2.8%. In particular, it allows unambiguous mass identification of super heavy nuclei with a resolution better than 1 amu at the level of 300 amu. Synthesized in nuclear reactions nuclides are emitted from an ECR ion source at energy E=40 kV and charge state Q=+1. Then they pass the following steps of separation and analysis: the first section of rough separation, the second section of separation and mass analysis and the final section of separation with a 90° electrostatic deflector. In the focal plane of the device, a focal plane detector determines positions (masses) of studied nuclei. Ion optics of the analyzer, optimized up to the second order, is considered. Description of its elements and subsystems is given.

40 CFR 63.11496 - What are the standards and compliance requirements for process vents?

Code of Federal Regulations, 2014 CFR

2014-07-01

... of halogen atoms in accordance with § 63.115(d)(2)(v). Alternatively, you may elect to designate the... 20 parts per million by volume (ppmv). (2) Reduce the halogen atom mass emission rate before the...

40 CFR 63.2450 - What are my general requirements for complying with this subpart?

Code of Federal Regulations, 2012 CFR

2012-07-01

..., as defined in § 63.2550, by calculating the mass emission rate of halogen atoms in accordance with... determine the halogen atom emission rate prior to the combustion device according to the procedures in § 63...

40 CFR 63.11496 - What are the standards and compliance requirements for process vents?

Code of Federal Regulations, 2013 CFR

2013-07-01

... of halogen atoms in accordance with § 63.115(d)(2)(v). Alternatively, you may elect to designate the... 20 parts per million by volume (ppmv). (2) Reduce the halogen atom mass emission rate before the...

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

NASA Astrophysics Data System (ADS)

Jaffke, Patrick; Möller, Peter; Talou, Patrick; Sierk, Arnold J.

2018-03-01

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U(nth,f ) and 239Pu(nth,f ) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ -ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicity ν ¯ and the average heavy-fragment mass 〈Ah〉 of the input mass yields ∂ ν ¯/∂ 〈Ah〉 =±0.1 (n /f ) /u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, ν¯T(TKE ) . Typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ ν ¯=4 % for the average prompt neutron multiplicity, δ M ¯γ=1 % for the average prompt γ -ray multiplicity, δ ɛ¯nLAB=1 % for the average outgoing neutron energy, δ ɛ¯γ=1 % for the average γ -ray energy, and δ 〈TKE 〉=0.4 % for the average total kinetic energy of the fission fragments.

CS and IOS approximations for fine structure transitions in Na(/sup 2/P)--He(/sup 1/S) collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fitz, D.E.; Kouri, D.J.

1980-11-15

The l-average CS and IOS approximations are extended to treat fine structure transitions in /sup 2/P atom--/sup 1/S atom scattering. Calculations of degeneracy averaged probabilities and differential cross sections for Na(/sup 2/P)+He(/sup 1/S) collisions in the CS and IOS methods agree well with the CC results. The present nonunitarized form of the CS approximation fails to properly predict all of the jm..-->..j'm' sections and in particular leads to a selection rule forbidding jm..-->..j--m transitions for j=half-odd integer values.

Effect of Solar Exposure on the Atomic Oxygen Erosion of Hubble Space Telescope Aluminized-Teflon Thermal Shields

NASA Astrophysics Data System (ADS)

Guo, Aobo; Ashmead, Claire C.; de Groh, Kim K.; Sechkar, Edward A.

When exposed to low Earth orbit (LEO) environment, external spacecraft materials degrade due to radiation, thermal cycling, micrometeoroid and debris impacts, and interaction with atomic oxygen (AO). Collisions between AO and spacecraft can result in oxidation of external spacecraft surface materials, which can lead to erosion and severe structural and/or optical properties deterioration. It is therefore essential to understand the AO erosion yield (Ey), the volume loss per incident oxygen atom (cm3/atom) of polymers to assure durability of spacecraft materials. The objective of this study was to determine whether solar radiation exposure can increase the rate of AO erosion of polymers in LEO. The material studied was a section of aluminized-Teflon® fluorinated ethylene propylene (Al-FEP) thermal shield exposed to space on the Hubble Space Telescope (HST) for 8.25 years. Retrieved samples were sectioned from the circular thermal shield and exposed to ground laboratory thermal energy AO. The results indicate that the average Ey of the solar facing HST Al-FEP was 1.9 × 10-24 cm3/atom, while the average Ey of the anti-solar HST Al-FEP was 1.5 × 10-24 cm3/atom. The Ey of the pristine samples was 1.6 to 1.7 × 10-24 cm3/atom. These results indicate that solar exposure affects the post-flight erosion rate of FEP in a plasma asher. Therefore, it likely affects the erosion rate while in LEO.

Effect of Solar Exposure on the Atomic Oxygen Erosion of Hubble Space Telescope Aluminized-Teflon Thermal Shields

NASA Technical Reports Server (NTRS)

Guo, Aobo; Ashmead, Claire C.; deGroh, Kim K.

2012-01-01

When exposed to low Earth orbital (LEO) environment, external spacecraft materials degrade due to radiation, thermal cycling, micrometeoroid and debris impacts, and atomic oxygen (AO) interaction. Collisions between AO and spacecraft can result in oxidation of external spacecraft surface materials, which can lead to erosion and severe structural and/or optical property deterioration. It is therefore essential to understand the AO erosion yield (Ey), the volume loss per incident oxygen atom (cu cm/atom), of polymers to assure durability of spacecraft materials. The objective of this study was to determine whether solar radiation exposure can increase the rate of AO erosion of polymers in LEO. The material studied was a section of aluminized-Teflon (DuPont) fluorinated ethylene propylene (Al-FEP) thermal shield exposed to space on the Hubble Space Telescope (HST) for 8.25 years. Retrieved samples were sectioned from the circular thermal shield and exposed to ground laboratory thermal energy AO. The results indicate that the average Ey of the solar facing HST Al-FEP was 1.9 10(exp -24)cu cm/atom, while the average Ey of the anti-solar HST Al-FEP was 1.5 10(exp -24)cu cm/atom. The Ey of the pristine samples was 1.6- 1.7 10(exp -24)cu cm/atom. These results indicate that solar exposure affects the post-flight erosion rate of FEP in a plasma asher. Therefore, it likely affects the erosion rate while in LEO.

Lurking systematics in predicting galaxy cold gas masses using dust luminosities and star formation rates

NASA Astrophysics Data System (ADS)

Janowiecki, Steven; Cortese, Luca; Catinella, Barbara; Goodwin, Adelle J.

2018-05-01

We use galaxies from the Herschel Reference Survey to evaluate commonly used indirect predictors of cold gas masses. We calibrate predictions for cold neutral atomic and molecular gas using infrared dust emission and gas depletion time methods that are self-consistent and have ˜20 per cent accuracy (with the highest accuracy in the prediction of total cold gas mass). However, modest systematic residual dependences are found in all calibrations that depend on the partition between molecular and atomic gas, and can over/underpredict gas masses by up to 0.3 dex. As expected, dust-based estimates are best at predicting the total gas mass while depletion time-based estimates are only able to predict the (star-forming) molecular gas mass. Additionally, we advise caution when applying these predictions to high-z galaxies, as significant (0.5 dex or more) errors can arise when incorrect assumptions are made about the dominant gas phase. Any scaling relations derived using predicted gas masses may be more closely related to the calibrations used than to the actual galaxies observed.

First Measurement of the Atomic Electric Dipole Moment of Ra 225

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parker, R. H.; Dietrich, M. R.; Kalita, M. R.

The radioactive radium-225 (Ra-225) atom is a favorable case to search for a permanent electric dipole moment. Because of its strong nuclear octupole deformation and large atomic mass, Ra-225 is particularly sensitive to interactions in the nuclear medium that violate both time-reversal symmetry and parity. We have developed a cold-atom technique to study the spin precession of Ra-225 atoms held in an optical dipole trap, and demonstrated the principle of this method by completing the first measurement of its atomic electric dipole moment, reaching an upper limit of vertical bar d(Ra-225)vertical bar < 5.0 x 10(-22) e cm (95% confidence).

The neutral mass spectrometer on Dynamics Explorer B

NASA Technical Reports Server (NTRS)

Carignan, G. R.; Block, B. P.; Maurer, J. C.; Hedin, A. E.; Reber, C. A.; Spencer, N. W.

1981-01-01

A neutral gas mass spectrometer has been developed to satisfy the measurement requirements of the Dynamics Explorer mission. The mass spectrometer, a quadrupole, will measure the abundances of neutral species in the region 300-500 km in the earth's atmosphere. These measurements will be used in concert with other simultaneous observations on Dynamics Explorer to study the physical processes involved in the interactions of the magnetosphere-ionosphere-atmosphere system. The instrument, which is similar to that flown on Atmosphere Explorer, employs an electron beam ion source operating in the closed mode and a discrete dynode multiplier as a detector. The mass range is 22 to 50 amu. The abundances of atomic oxygen, molecular nitrogen, helium, argon, and possibly atomic nitrogen will be measured to an accuracy of about + or - 15% over the specified altitude range, with a temporal resolution of one second.

Characterisation of zinc-binding domains of peroxisomal RING finger proteins using size exclusion chromatography/inductively coupled plasma-mass spectrometry.

PubMed

Koellensperger, Gunda; Daubert, Simon; Erdmann, Ralf; Hann, Stephan; Rottensteiner, Hanspeter

2007-11-01

We determined the zinc binding stoichiometry of peroxisomal RING finger proteins by measuring sulfur/metal ratios using inductively coupled plasma-mass spectrometry coupled to size exclusion chromatography, a strategy that provides a fast and quantitative overview on the binding of metals in proteins. As a quality control, liquid chromatography-electrospray ionisation-time of flight-mass spectrometry was used to measure the molar masses of the intact proteins. The RING fingers of Pex2p, Pex10p, and Pex12p showed a stoichiometry of 2.0, 2.1, and 1.2 mol zinc/mol protein, respectively. Thus, Pex2p and Pex10p possess a typical RING domain with two coordinated zinc atoms, whereas that of Pex12p coordinates only a single zinc atom.

Impurity coupled to an artificial magnetic field in a Fermi gas in a ring trap

NASA Astrophysics Data System (ADS)

Ünal, F. Nur; Hetényi, B.; Oktel, M. Ã.-.

2015-05-01

The dynamics of a single impurity interacting with a many-particle background is one of the central problems of condensed-matter physics. Recent progress in ultracold-atom experiments makes it possible to control this dynamics by coupling an artificial gauge field specifically to the impurity. In this paper, we consider a narrow toroidal trap in which a Fermi gas is interacting with a single atom. We show that an external magnetic field coupled to the impurity is a versatile tool to probe the impurity dynamics. Using a Bethe ansatz, we calculate the eigenstates and corresponding energies exactly as a function of the flux through the trap. Adiabatic change of flux connects the ground state to excited states due to flux quantization. For repulsive interactions, the impurity disturbs the Fermi sea by dragging the fermions whose momentum matches the flux. This drag transfers momentum from the impurity to the background and increases the effective mass. The effective mass saturates to the total mass of the system for infinitely repulsive interactions. For attractive interactions, the drag again increases the effective mass which quickly saturates to twice the mass of a single particle as a dimer of the impurity and one fermion is formed. For excited states with momentum comparable to number of particles, effective mass shows a resonant behavior. We argue that standard tools in cold-atom experiments can be used to test these predictions.

Sub-10-Minute Characterization of an Ultrahigh Molar Mass Polymer by Multi-detector Hydrodynamic Chromatography

USDA-ARS?s Scientific Manuscript database

Molar mass averages, distributions, and architectural information of polymers are routinely obtained using size-exclusion chromatography (SEC). It has previously been shown that ultrahigh molar mass polymers may experience degradation during SEC analysis, leading to inaccurate molar mass averages a...

Ensemble averaged structure–function relationship for nanocrystals: effective superparamagnetic Fe clusters with catalytically active Pt skin [Ensemble averaged structure-function relationship for composite nanocrystals: magnetic bcc Fe clusters with catalytically active fcc Pt skin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petkov, Valeri; Prasai, Binay; Shastri, Sarvjit

Practical applications require the production and usage of metallic nanocrystals (NCs) in large ensembles. Besides, due to their cluster-bulk solid duality, metallic NCs exhibit a large degree of structural diversity. This poses the question as to what atomic-scale basis is to be used when the structure–function relationship for metallic NCs is to be quantified precisely. In this paper, we address the question by studying bi-functional Fe core-Pt skin type NCs optimized for practical applications. In particular, the cluster-like Fe core and skin-like Pt surface of the NCs exhibit superparamagnetic properties and a superb catalytic activity for the oxygen reduction reaction,more » respectively. We determine the atomic-scale structure of the NCs by non-traditional resonant high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Using the experimental structure data we explain the observed magnetic and catalytic behavior of the NCs in a quantitative manner. Lastly, we demonstrate that NC ensemble-averaged 3D positions of atoms obtained by advanced X-ray scattering techniques are a very proper basis for not only establishing but also quantifying the structure–function relationship for the increasingly complex metallic NCs explored for practical applications.« less

Au 329–xAg x(SR) 84 Nanomolecules: Plasmonic Alloy Faradaurate-329

DOE PAGES

Kumara, Chanaka; Zuo, Xiaobing; Cullen, David A.; ...

2015-08-10

Though significant progress has been made to improve the monodispersity of larger (>10 nm) alloy metal nanoparticles, there still exists a significant variation in nanoparticle composition, ranging from ±1000s of atoms. Here in this paper, for the first time, we report the synthesis of atomically precise (±0 metal atom variation) Au 329–xAg x(SCH 2CH 2Ph) 84 alloy nanomolecules. The composition was determined using high resolution electrospray ionization mass spectrometry. In contrast to larger (>10 nm) Au–Ag nanoparticles, the surface plasmon resonance (SPR) peak does not show a major shift, but a minor ~10 nm red-shift, upon increasing silver content. Themore » intensity of the SPR peak also varies in an intriguing manner, where a dampening is observed with medium silver incorporation, and a significant sharpening is observed upon higher Ag content. The report outlines (a) an unprecedented advance in nanoparticle mass spectrometry of high mass at atomic precision; and (b) the unexpected optical behavior of Au–Ag alloys in the region where nascent SPR emerges; specifically, in this work, the SPR-like peak does not show a major ~100 nm blue-shift with Ag alloying of Au 329 nanomolecules, as shown to be common in larger nanoparticles.« less

Mapping of elasticity and damping in an α + β titanium alloy through atomic force acoustic microscopy

PubMed Central

Phani, M Kalyan; Kumar, Anish; Jayakumar, T; Samwer, Konrad

2015-01-01

Summary The distribution of elastic stiffness and damping of individual phases in an α + β titanium alloy (Ti-6Al-4V) measured by using atomic force acoustic microscopy (AFAM) is reported in the present study. The real and imaginary parts of the contact stiffness k * are obtained from the contact-resonance spectra and by using these two quantities, the maps of local elastic stiffness and the damping factor are derived. The evaluation of the data is based on the mass distribution of the cantilever with damped flexural modes. The cantilever dynamics model considering damping, which was proposed recently, has been used for mapping of indentation modulus and damping of different phases in a metallic structural material. The study indicated that in a Ti-6Al-4V alloy the metastable β phase has the minimum modulus and the maximum damping followed by α′- and α-phases. Volume fractions of the individual phases were determined by using a commercial material property evaluation software and were validated by using X-ray diffraction (XRD) and electron back-scatter diffraction (EBSD) studies on one of the heat-treated samples. The volume fractions of the phases and the modulus measured through AFAM are used to derive average modulus of the bulk sample which is correlated with the bulk elastic properties obtained by ultrasonic velocity measurements. The average modulus of the specimens estimated by AFAM technique is found to be within 5% of that obtained by ultrasonic velocity measurements. The effect of heat treatments on the ultrasonic attenuation in the bulk sample could also be understood based on the damping measurements on individual phases using AFAM. PMID:25977847

Physical characterization of plakophilin 1 reconstituted with and without zinc.

PubMed

Hofmann, I; Mücke, N; Reed, J; Herrmann, H; Langowski, J

2000-07-01

Plakophilin 1 (PKP1) belongs to the arm-repeat protein family which is characterized by the presence of a conserved 42-amino-acid motif. Despite individual members of the family containing a similar type of structural domain, they exhibit diverse cellular functions. PKP1 is ubiquitously expressed in human tissues and, depending on the type of cell, found prominently in the karyoplasm and/or in desmosomes. In surface plasmon resonance detection experiments, we noticed that PKP1 specifically bound zinc but not calcium or magnesium. Therefore we have used circular dichroism spectroscopy, limited proteolysis, analytical ultracentrifugation, electron microscopy and dynamic light scattering to establish the physical properties of recombinant PKP1 depending on the presence or absence of zinc. The alpha helix content of PKP1 was considerably higher when reconstituted with zinc than without. By atomic absorption spectroscopy 7.3 atoms zinc were shown to be tightly associated with one molecule of wild-type PKP1. The zinc-reconstituted protein formed globular particles of 21.9 +/- 8.4 nm diameter, as measured by electron microscopy after glycerol spraying/rotary metal shadowing. In parallel, the average sedimentation coefficient (s20, w) for zinc-containing PKP1 was 41S and its diffusion coefficient, as obtained by dynamic light scattering, 1.48 x 10-7 cm2.s-1. The molecular mass of 2.44 x 106 obtained from s and D yields an average stoichiometry of 30 for the PKP1 oligomer. In contrast, PKP1, reconstituted without zinc, contained no significant amount of zinc, sedimented with 4.6S, and was present in monomeric form as determined by sedimentation equilibrium centrifugation.

Mapping of elasticity and damping in an α + β titanium alloy through atomic force acoustic microscopy.

PubMed

Phani, M Kalyan; Kumar, Anish; Jayakumar, T; Arnold, Walter; Samwer, Konrad

2015-01-01

The distribution of elastic stiffness and damping of individual phases in an α + β titanium alloy (Ti-6Al-4V) measured by using atomic force acoustic microscopy (AFAM) is reported in the present study. The real and imaginary parts of the contact stiffness k (*) are obtained from the contact-resonance spectra and by using these two quantities, the maps of local elastic stiffness and the damping factor are derived. The evaluation of the data is based on the mass distribution of the cantilever with damped flexural modes. The cantilever dynamics model considering damping, which was proposed recently, has been used for mapping of indentation modulus and damping of different phases in a metallic structural material. The study indicated that in a Ti-6Al-4V alloy the metastable β phase has the minimum modulus and the maximum damping followed by α'- and α-phases. Volume fractions of the individual phases were determined by using a commercial material property evaluation software and were validated by using X-ray diffraction (XRD) and electron back-scatter diffraction (EBSD) studies on one of the heat-treated samples. The volume fractions of the phases and the modulus measured through AFAM are used to derive average modulus of the bulk sample which is correlated with the bulk elastic properties obtained by ultrasonic velocity measurements. The average modulus of the specimens estimated by AFAM technique is found to be within 5% of that obtained by ultrasonic velocity measurements. The effect of heat treatments on the ultrasonic attenuation in the bulk sample could also be understood based on the damping measurements on individual phases using AFAM.

A Sensitive Technique Using Atomic Force Microscopy to Measure the Low Earth Orbit Atomic Oxygen Erosion of Polymers

NASA Technical Reports Server (NTRS)

deGroh, Kim K.; Banks, Bruce A.; Clark, Gregory W.; Hammerstrom, Anne M.; Youngstrom, Erica E.; Kaminski, Carolyn; Fine, Elizabeth S.; Marx, Laura M.

2001-01-01

Polymers such as polyimide Kapton and Teflon FEP (fluorinated ethylene propylene) are commonly used spacecraft materials due to their desirable properties such as flexibility, low density, and in the case of FEP low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low Earth orbit (LEO) environment are exposed to energetic atomic oxygen. Atomic oxygen erosion of polymers occurs in LEO and is a threat to spacecraft durability. It is therefore important to understand the atomic oxygen erosion yield (E, the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. Because long-term space exposure data is rare and very costly, short-term exposures such as on the shuttle are often relied upon for atomic oxygen erosion determination. The most common technique for determining E is through mass loss measurements. For limited duration exposure experiments, such as shuttle experiments, the atomic oxygen fluence is often so small that mass loss measurements can not produce acceptable uncertainties. Therefore, a recession measurement technique has been developed using selective protection of polymer samples, combined with postflight atomic force microscopy (AFM) analysis, to obtain accurate erosion yields of polymers exposed to low atomic oxygen fluences. This paper discusses the procedures used for this recession depth technique along with relevant characterization issues. In particular, a polymer is salt-sprayed prior to flight, then the salt is washed off postflight and AFM is used to determine the erosion depth from the protected plateau. A small sample was salt-sprayed for AFM erosion depth analysis and flown as part of the Limited Duration Candidate Exposure (LDCE-4,-5) shuttle flight experiment on STS-51. This sample was used to study issues such as use of contact versus non-contact mode imaging for determining recession depth measurements. Error analyses were conducted and the percent probable error in the erosion yield when obtained by the mass loss and recession depth techniques has been compared. The recession depth technique is planned to be used to determine the erosion yield of 42 different polymers in the shuttle flight experiment PEACE (Polymer Erosion And Contamination Experiment) planned to fly in 2002 or 2003.

Dissociative excitation of H2, HD, and D2 by electron impact

NASA Technical Reports Server (NTRS)

Carnahan, B. L.; Zipf, E. C.

1977-01-01

Time-of-flight techniques have been used to investigate the electron-impact dissociation of H2, HD, and D2 in order to determine the effect of isotopic mass variation in the target molecule on the dissociative excitation process. At incident electron energies near 100 eV, the time-of-flight spectrum produced from each molecule consists of atoms in the metastable 2s state and in high-lying long-lived Rydberg levels. The individual time-of-flight distributions, kinetic-energy spectra, and relative differential cross sections for these two species resulting from each molecule have been measured. The kinetic-energy spectrum of the Rydberg atoms produced from dissociative excitation of H2 was notably dissimilar in shape from the corresponding distributions produced from HD and D2. Also the 2s and Rydberg production cross sections differed between the three molecules. In the dissociation of the heteronuclear HD molecule, the ratio of fast H(2s) atoms to D(2s) atoms was about 1 to 1, while the same ratio comparing the Rydberg atoms was nearly 2 to 1. These differences indicate the influence of the mass variation on the position of the Franck-Condon region in the production of 2s atoms and on the competition between autoionization and dissociation in the formation of Rydberg fragments.

How can we probe the atom mass currents induced by synthetic gauge fields?

NASA Astrophysics Data System (ADS)

Paramekanti, Arun; Killi, Matthew; Trotzky, Stefan

2013-05-01

Ultracold atomic fermions and bosons in an optical lattice can have quantum ground states which support equilibrium currents in the presence of synthetic magnetic fields or spin orbit coupling. As a tool to uncover these mass currents, we propose using an anisotropic quantum quench of the optical lattice which dynamically converts the current patterns into measurable density patterns. Using analytical calculations and numerical simulations, we show that this scheme can probe diverse equilibrium bulk current patterns in Bose superfluids and Fermi fluids induced by synthetic magnetic fields, as well as detect the chiral edge currents in topological states of atomic matter such as quantum Hall and quantum spin Hall insulators. This work is supported by NSERC of Canada and the Canadian Institute for Advanced Research.

Production of pulsed atomic oxygen beams via laser vaporization methods

NASA Technical Reports Server (NTRS)

Brinza, David E.; Coulter, Daniel R.; Liang, Ranty H.; Gupta, Amitava

1986-01-01

The generation of energetic pulsed atomic oxygen beams by laser-driven evaporation of cryogenically frozen ozone/oxygen films and thin indium-tin oxide (ITO) films is reported. Mass spectroscopy is used in the mass and energy characterization of beams from the ozone/oxygen films, and a peak flux of 3 x 10 to the 20th/sq m per sec at 10 eV is found. Analysis of the time-of-flight data suggests that several processes contribute to the formation of the oxygen beam. Results show the absence of metastable states such as the 2p(3)3s(1)(5S) level of atomic oxygen blown-off from the ITO films. The present process has application to the study of the oxygen degradation problem of LEO materials.

Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems.

PubMed

Zhang, W B; Liu, J; Lu, S H; Zhang, H; Wang, H; Wang, X D; Cao, Q P; Zhang, D X; Jiang, J Z

2017-08-04

The size effect on atomic structure of a Cu 64 Zr 36 amorphous system, including zero-dimensional small-size amorphous particles (SSAPs) and two-dimensional small-size amorphous films (SSAFs) together with bulk sample was investigated by molecular dynamics simulations. We revealed that sample size strongly affects local atomic structure in both Cu 64 Zr 36 SSAPs and SSAFs, which are composed of core and shell (surface) components. Compared with core component, the shell component of SSAPs has lower average coordination number and average bond length, higher degree of ordering, and lower packing density due to the segregation of Cu atoms on the shell of Cu 64 Zr 36 SSAPs. These atomic structure differences in SSAPs with various sizes result in different glass transition temperatures, in which the glass transition temperature for the shell component is found to be 577 K, which is much lower than 910 K for the core component. We further extended the size effect on the structure and glasses transition temperature to Cu 64 Zr 36 SSAFs, and revealed that the T g decreases when SSAFs becomes thinner due to the following factors: different dynamic motion (mean square displacement), different density of core and surface and Cu segregation on the surface of SSAFs. The obtained results here are different from the results for the size effect on atomic structure of nanometer-sized crystalline metallic alloys.

Drop size distribution and air velocity measurements in air assist swirl atomizer sprays

NASA Technical Reports Server (NTRS)

Mao, C.-P.; Oechsle, V.; Chigier, N.

1987-01-01

Detailed measurements of mean drop size (SMD) and size distribution parameters have been made using a Fraunhofer diffraction particle sizing instrument in a series of sprays generated by an air assist swirl atomizer. Thirty-six different combinations of fuel and air mass flow rates were examined with liquid flow rates up to 14 lbm/hr and atomizing air flow rates up to 10 lbm/hr. Linear relationships were found between SMD and liquid to air mass flow rate ratios. SMD increased with distance downstream along the center line and also with radial distance from the axis. Increase in obscuration with distance downstream was due to an increase in number density of particles as the result of deceleration of drops and an increase in the exposed path length of the laser beam. Velocity components of the atomizing air flow field measured by a laser anemometer show swirling jet air flow fields with solid body rotation in the core and free vortex flow in the outer regions.

99Tc atom counting by quadrupole ICP-MS. Optimisation of the instrumental response

NASA Astrophysics Data System (ADS)

Más, José L.; Garcia-León, Manuel; Bolívar, Juan P.

2002-05-01

In this paper, an extensive work is done on the specific tune of a conventional ICP-MS for 99Tc atom counting. For this, two methods have been used and compared: the partial variable control method and the 5D Simplex method. Instrumental limits of detection of 0.2 and 0.8 ppt, respectively, were obtained. They are noticeably lower than that found with the automatic tune method of the spectrometer, 47 ppt, which shows the need of a specific tune when very low levels of 99Tc have to be determined. A study is presented on the mass interferences for 99Tc. Our experiments show that the formation of polyatomic atoms or refractory oxides as well as 98Mo hydrides seem to be irrelevant for 99Tc atom counting. The opposite occurs with the presence of isobaric interferences, i.e. 99Ru, and the effect of abundance sensitivity, or low-mass resolution, which can modify the response at m/ z=99 to a non-negligible extent.

Electron ionization of metastable nitrogen and oxygen atoms in relation to the auroral emissions

NASA Astrophysics Data System (ADS)

Pandya, Siddharth; Joshipura, K. N.

Atomic and molecular excited metastable states (EMS) are exotic systems due to their special properties like long radiative life-time, large size (average radius) and large polarizability along with relatively smaller first ionization energy compared to their respective ground states (GS). The present work includes our theoretical calculations on electron impact ionization of metastable atomic states N( (2) P), N( (2) D) of nitrogen and O( (1) S), O( (1) D) of oxygen. The targets of our present interest, are found to be present in our Earth's ionosphere and they play an important role in auroral emissions observed in Earth’s auroral regions [1] as also in the emissions observed from cometary coma [2, 3] and airglow emissions. In particular, atomic oxygen in EMS can radiate, the visible O( (1) D -> (3) P) doublet 6300 - 6364 Å red doublet, the O( (1) S -> (1) D) 5577 Å green line, and the ultraviolet O( (1) S -> (3) P) 2972 Å line. For metastable atomic nitrogen one observes the similar emissions, in different wavelengths, from (2) D and (2) P states. At the Earth's auroral altitudes, from where these emissions take place in the ionosphere, energetic electrons are also present. In particular, if the metastable N as well as O atoms are ionized by the impact of electrons then these species are no longer available for emissions. This is a possible loss mechanism, and hence it is necessary to analyze the importance of electron ionization of the EMS of atomic O and N, by calculating the relevant cross sections. In the present paper we investigate electron ionization of the said metastable species by calculating relevant total cross sections. Our quantum mechanical calculations are based on projected approximate ionization contribution in the total inelastic cross sections [4]. Detailed results and discussion along with the significance of these calculations will be presented during the COSPAR-2014. References [1] A.Bhardwaj, and G. R. Gladstone, Rev. Geophys., 38(3), 295-353 (2000) [2] A.Bhardwaj, and S. A. Haider, Adv. Space Res., 29(5), 745-750 (2002) [3] A. Bhardwaj and S. Raghuram, ApJ, 748:13 (2012) [4] S. H. Pandya et al.,Int. J. Mass Spectrom. 323-324, 28-33 (2012)

An atomic clock with 10(-18) instability.

PubMed

Hinkley, N; Sherman, J A; Phillips, N B; Schioppo, M; Lemke, N D; Beloy, K; Pizzocaro, M; Oates, C W; Ludlow, A D

2013-09-13

Atomic clocks have been instrumental in science and technology, leading to innovations such as global positioning, advanced communications, and tests of fundamental constant variation. Timekeeping precision at 1 part in 10(18) enables new timing applications in relativistic geodesy, enhanced Earth- and space-based navigation and telescopy, and new tests of physics beyond the standard model. Here, we describe the development and operation of two optical lattice clocks, both using spin-polarized, ultracold atomic ytterbium. A measurement comparing these systems demonstrates an unprecedented atomic clock instability of 1.6 × 10(-18) after only 7 hours of averaging.

Charge-free method of forming nanostructures on a substrate

DOEpatents

Hoffbauer; Mark , Akhadov; Elshan

2010-07-20

A charge-free method of forming a nanostructure at low temperatures on a substrate. A substrate that is reactive with one of atomic oxygen and nitrogen is provided. A flux of neutral atoms of least one of oxygen and nitrogen is generated within a laser-sustained-discharge plasma source and a collimated beam of energetic neutral atoms and molecules is directed from the plasma source onto a surface of the substrate to form the nanostructure. The energetic neutral atoms and molecules in the beam have an average kinetic energy in a range from about 1 eV to about 5 eV.

Technical Note: Effect of explicit M and N-shell atomic transitions on a low-energy x-ray source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watson, Peter G. F., E-mail: peter.watson@mail.mcgill.ca; Seuntjens, Jan

Purpose: In EGSnrc, atomic transitions to and from the M and N-shells are treated in an average way by default. This approach is justified in which the energy difference between explicit and average M and N-shell binding energies is less than 1 keV, and for most applications can be considered negligible. However, for simulations of low energy x-ray sources on thin, high-Z targets, characteristic x-rays can make up a significant portion of the source spectra. As of release V4-2.4.0, EGSnrc has included an option to enable a more complete algorithm of all atomic transitions available in the EADL compilation. Inmore » this paper, the effect of M and N-shell averaging on the calculation of half-value layer (HVL) and relative depth dose (RDD) curve of a 50 kVp intraoperative x-ray tube with a thin gold target was investigated. Methods: A 50 kVp miniature x-ray source with a gold target (The INTRABEAM System, Carl Zeiss, Germany) was modeled with the EGSnrc user code cavity, both with and without M and N-shell averaging. From photon fluence spectra simulations, the source HVLs were determined analytically. The same source model was then used with egs-chamber to calculate RDD curves in water. Results: A 4% increase of HVL was reported when accounting for explicit M and N-shell transitions, and up to a 9% decrease in local relative dose for normalization at 3 mm depth in water. Conclusions: The EGSnrc default of using averaged M and N-shell binding energies has an observable effect on the HVL and RDD of a low energy x-ray source with high-Z target. For accurate modeling of this class of devices, explicit atomic transitions should be included.« less

Level-energy-dependent mean velocities of excited tungsten atoms sputtered by krypton-ion bombardment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nogami, Keisuke; Sakai, Yasuhiro; Mineta, Shota

2015-11-15

Visible emission spectra were acquired from neutral atoms sputtered by 35–60 keV Kr{sup +} ions from a polycrystalline tungsten surface. Mean velocities of excited tungsten atoms in seven different 6p states were also obtained via the dependence of photon intensities on the distance from the surface. The average velocities parallel to the surface normal varied by factors of 2–4 for atoms in the different 6p energy levels. However, they were almost independent of the incident ion kinetic energy. The 6p-level energy dependence indicated that the velocities of the excited atoms were determined by inelastic processes that involve resonant charge exchange.

Ethylene hydrogenation catalysis on Pt(111) single-crystal surfaces studied by using mass spectrometry and in situ infrared absorption spectroscopy

NASA Astrophysics Data System (ADS)

Tillekaratne, Aashani; Simonovis, Juan Pablo; Zaera, Francisco

2016-10-01

The catalytic hydrogenation of ethylene promoted by a Pt(111) single crystal was studied by using a ultrahigh-vacuum surface-science instrument equipped with a so-called high-pressure cell. Kinetic data were acquired continuously during the catalytic conversion of atmospheric-pressure mixtures of ethylene and hydrogen by using mass spectrometry while simultaneously characterizing the surface species in operando mode by reflection-absorption infrared spectroscopy (RAIRS). Many observations reported in previous studies of this system were corroborated, including the presence of adsorbed alkylidyne intermediates during the reaction and the zero-order dependence of the rate of hydrogenation on the pressure of ethylene. In addition, the high quality of the kinetic data, which could be recorded continuously versus time and processed to calculate time-dependent turnover frequencies (TOFs), afforded a more detailed analysis of the mechanism. Specifically, deuterium labeling could be used to estimate the extent of isotope scrambling reached with mixed-isotope-substituted reactants (C2H4 + D2 and C2D4 + H2). Perhaps the most important new observation from this work is that, although extensive H-D exchange takes place on ethylene before being fully converted to ethane, the average stoichiometry of the final product retains the expected stoichiometry of the gas mixture, that is, four regular hydrogen atoms and two deuteriums per ethane molecule in the case of the experiments with C2H4 + D2. This means that no hydrogen atoms are removed from the surface via their inter-recombination to produce X2 (X = H or D). It is concluded that, under catalytic conditions, hydrogen surface recombination is much slower than ethylene hydrogenation and H-D exchange.

Kerogen maturation data in the Uinta Basin, Utah, USA, constrain predictions of natural hydrocarbon seepage into the atmosphere

NASA Astrophysics Data System (ADS)

Mansfield, Marc L.

2014-03-01

Natural seepage of methane from the lithosphere to the atmosphere occurs in regions with large natural gas deposits. According to some authors, it accounts for roughly 5% of the global methane budget. I explore a new approach to estimate methane fluxes based on the maturation of kerogen, which is the hydrocarbon polymer present in petroleum source rocks and whose decomposition leads to the formation of oil and natural gas. The temporal change in the atomic H/C ratio of kerogen lets us estimate the total carbon mass released by it in the form of oil and natural gas. Then the time interval of active kerogen decomposition lets us estimate the average annual formation rate of oil and natural gas in any given petroleum system, which I demonstrate here using the Uinta Basin of eastern Utah as an example. Obviously, this is an upper bound to the average annual rate at which natural gas seeps into the atmosphere. After adjusting for biooxidation of natural gas, I conclude that the average annual seepage rate in the Uinta Basin is not greater than (3100 ± 900) tonne yr-1. This is (0.5 ± 0.15)% of the total flux of methane into the atmosphere over the Basin, as measured during aircraft flights. I speculate about the difference between the regional 0.5% and the global 5% estimates.

A quantum chemistry study on surface reactivity of pristine and carbon-substituted AlN nanotubes

NASA Astrophysics Data System (ADS)

Mahdaviani, Amir; Esrafili, Mehdi D.; Esrafili, Ali; Behzadi, Hadi

2013-09-01

A density functional theory investigation was performed to predict the surface reactivity of pristine and carbon-substituted (6,0) single-walled aluminum nitride nanotubes (AlNNTs). The properties determined include the electrostatic potentials VS(r) and average local ionization energies ĪS(r) on the surfaces of the investigated tubes. According to computed VS(r) results, the Al/N atoms in edge or cap regions show a different reactivity pattern than those at the middle portion of the tubes. Due to the carbon-substitution at the either Al or N sites of the tubes, the negative regions associated with nitrogen atoms are stronger than before. The prediction of surface reactivity and regioselectivity using average local ionization energies has been verified by atomic hydrogen chemisorption energies calculated for AlNNTs at the B3LYP/6-31 G* level. There is an acceptable correlation between the minima of ĪS(r) and the atomic hydrogen chemisorption energies, demonstrating that ĪS(r) provides an effective means for rapidly and economically assessing the relative reactivities of finite sized AlNNTs.

Effects of Acids, Bases, and Heteroatoms on Proximal Radial Distribution Functions for Proteins.

PubMed

Nguyen, Bao Linh; Pettitt, B Montgomery

2015-04-14

The proximal distribution of water around proteins is a convenient method of quantifying solvation. We consider the effect of charged and sulfur-containing amino acid side-chain atoms on the proximal radial distribution function (pRDF) of water molecules around proteins using side-chain analogs. The pRDF represents the relative probability of finding any solvent molecule at a distance from the closest or surface perpendicular protein atom. We consider the near-neighbor distribution. Previously, pRDFs were shown to be universal descriptors of the water molecules around C, N, and O atom types across hundreds of globular proteins. Using averaged pRDFs, a solvent density around any globular protein can be reconstructed with controllable relative error. Solvent reconstruction using the additional information from charged amino acid side-chain atom types from both small models and protein averages reveals the effects of surface charge distribution on solvent density and improves the reconstruction errors relative to simulation. Solvent density reconstructions from the small-molecule models are as effective and less computationally demanding than reconstructions from full macromolecular models in reproducing preferred hydration sites and solvent density fluctuations.

Mass, radius and composition of the outer crust of nonaccreting cold neutron stars

NASA Astrophysics Data System (ADS)

Hempel, Matthias; Schaffner-Bielich, Jürgen

2008-01-01

The properties and composition of the outer crust of nonaccreting cold neutron stars are studied by applying the model of Baym, Pethick and Sutherland, which was extended by including higher order corrections of the atomic binding, screening, exchange and zero-point energy. The most recent experimental nuclear data from the atomic mass table of Audi, Wapstra and Thibault from 2003 are used. Extrapolation to the drip line is utilized by various state-of-the-art theoretical nuclear models (finite range droplet, relativistic nuclear field and non-relativistic Skyrme Hartree Fock parameterizations). The different nuclear models are compared with respect to the mass and radius of the outer crust for different neutron star configurations and the nuclear compositions of the outer crust.

Manifold and method of batch measurement of Hg-196 concentration using a mass spectrometer

DOEpatents

Grossman, M.W.; Evans, R.

1991-11-26

A sample manifold and method of its use has been developed so that milligram quantities of mercury can be analyzed mass spectroscopically to determine the [sup 196]Hg concentration to less than 0.02 atomic percent. Using natural mercury as a standard, accuracy of [+-]0.002 atomic percent can be obtained. The mass spectrometer preferably used is a commercially available GC/MS manufactured by Hewlett Packard. A novel sample manifold is contained within an oven allowing flow rate control of Hg into the MS. Another part of the manifold connects to an auxiliary pumping system which facilitates rapid clean up of residual Hg in the manifold. Sample cycle time is about 1 hour. 8 figures.

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jaffke, Patrick John; Talou, Patrick; Sierk, Arnold John

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U (n th, f) and 239Pu (n th, f) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ-ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicitymore » $$\\bar{v}$$ and the average heavy-fragment mass $$\\langle$$A h$$\\rangle$$ of the input mass yields ∂$$\\bar{v}$$/∂ $$\\langle$$A h$$\\rangle$$ = ± 0.1 (n / f )/u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, $$\\bar{v}_T$$ ( TKE ) . Finally, typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ$$\\bar{v}$$ = 4 % for the average prompt neutron multiplicity, δ$$\\overline{M}_γ$$ = 1% for the average prompt γ-ray multiplicity, δ$$\\bar{ε}$$ $$LAB\\atop{n}$$ = 1 % for the average outgoing neutron energy, δ$$\\bar{ε}_γ$$ = 1 % for the average γ-ray energy, and δ $$\\langle$$TKE$$\\rangle$$ = 0.4 % for the average total kinetic energy of the fission fragments.« less

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

DOE PAGES

Jaffke, Patrick John; Talou, Patrick; Sierk, Arnold John; ...

2018-03-15

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U (n th, f) and 239Pu (n th, f) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ-ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicitymore » $$\\bar{v}$$ and the average heavy-fragment mass $$\\langle$$A h$$\\rangle$$ of the input mass yields ∂$$\\bar{v}$$/∂ $$\\langle$$A h$$\\rangle$$ = ± 0.1 (n / f )/u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, $$\\bar{v}_T$$ ( TKE ) . Finally, typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ$$\\bar{v}$$ = 4 % for the average prompt neutron multiplicity, δ$$\\overline{M}_γ$$ = 1% for the average prompt γ-ray multiplicity, δ$$\\bar{ε}$$ $$LAB\\atop{n}$$ = 1 % for the average outgoing neutron energy, δ$$\\bar{ε}_γ$$ = 1 % for the average γ-ray energy, and δ $$\\langle$$TKE$$\\rangle$$ = 0.4 % for the average total kinetic energy of the fission fragments.« less

Optical perturbation of atoms in weak localization

NASA Astrophysics Data System (ADS)

Yedjour, A.

2018-01-01

We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.

New Active Optical Technique Developed for Measuring Low-Earth-Orbit Atomic Oxygen Erosion of Polymers

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; deGroh, Kim K.; Demko, Rikako

2003-01-01

Polymers such as polyimide Kapton (DuPont) and Teflon FEP (DuPont, fluorinated ethylene propylene) are commonly used spacecraft materials because of desirable properties such as flexibility, low density, and in the case of FEP, a low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low-Earth-orbit (LEO) environment are exposed to energetic atomic oxygen. Atomic oxygen reaction with polymers causes erosion, which is a threat to spacecraft performance and durability. It is, therefore, important to understand the atomic oxygen erosion yield E (the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. The most common technique for determining E is a passive technique based on mass-loss measurements of samples exposed to LEO atomic oxygen during a space flight experiment. There are certain disadvantages to this technique. First, because it is passive, data are not obtained until after the flight is completed. Also, obtaining the preflight and postflight mass measurements is complicated by the fact that many polymers absorb water and, therefore, the mass change due to water absorption can affect the E data. This is particularly true for experiments that receive low atomic oxygen exposures or for samples that have a very low E. An active atomic oxygen erosion technique based on optical measurements has been developed that has certain advantages over the mass-loss technique. This in situ technique can simultaneously provide the erosion yield data on orbit and the atomic oxygen exposure fluence, which is needed for erosion yield determination. In the optical technique, either sunlight or artificial light can be used to measure the erosion of semitransparent or opaque polymers as a result of atomic oxygen attack. The technique is simple and adaptable to a rather wide range of polymers, providing that they have a sufficiently high optical absorption coefficient. If one covers a photodiode with a uniformly thick sheet of semitransparent polymer such as Kapton H polyimide, then as atomic oxygen erodes the polymer, the short-circuit current from the photodiode will increase in an exponential manner with fluence. This nonlinear response with fluence results in a lack of sensitivity for measuring low atomic oxygen fluences. However, if one uses a variable-thickness polymer or carbon sample, which is configured as shown in the preceding figure, then a linear response can be achieved for opaque materials using a parabolic well for a circular geometry detector or a V-shaped well for a rectangular-geometry detector. Variable-thickness samples can be fabricated using many thin polymer layers. For semitransparent polymers such as Kapton H polyimide, there is an initial short-circuit current that is greater than zero. This current has a slightly nonlinear dependence on atomic oxygen fluence in comparison to opaque materials such as black Kapton as shown in the graph. For this graph figure, the total thickness of Kapton H was assumed to be 0.03 cm. The photodiode short-circuit current shown in the graph was generated on the basis of preliminary measurements-a total reflectance rho of 0.0424 and an optical absorption coefficient a of 146.5 cm(sup -1). In addition to obtaining on-orbit data, the advantage of this active erosion and erosion yield measurement technique is its simplicity and reliance upon well-characterized fluence witness materials as well as a nearly linear photodiode short-circuit current dependence upon atomic oxygen fluence. The optical technique is useful for measuring either atomic oxygen fluence or erosion, depending on the information desired. To measure the atomic oxygen erosion yield of a test material, one would need to have two photodiode sensors, one for the test material and one that uses a known erosion yield material (such as Kapton) to measure the atomic oxygen fluence.

Resonance Ionization, Mass Spectrometry.

ERIC Educational Resources Information Center

Young, J. P.; And Others

1989-01-01

Discussed is an analytical technique that uses photons from lasers to resonantly excite an electron from some initial state of a gaseous atom through various excited states of the atom or molecule. Described are the apparatus, some analytical applications, and the precision and accuracy of the technique. Lists 26 references. (CW)

40 CFR 63.116 - Process vent provisions-performance test methods and procedures to determine compliance.

Code of Federal Regulations, 2014 CFR

2014-07-01

... reduce the vent stream halogen atom mass emission rate to less than 0.45 kilogram per hour prior to a combustion control device in compliance with § 63.113(c)(2) of this subpart shall determine the halogen atom...

40 CFR 63.116 - Process vent provisions-performance test methods and procedures to determine compliance.

Code of Federal Regulations, 2011 CFR

2011-07-01

... reduce the vent stream halogen atom mass emission rate to less than 0.45 kilogram per hour prior to a combustion control device in compliance with § 63.113(c)(2) of this subpart shall determine the halogen atom...

40 CFR 63.116 - Process vent provisions-performance test methods and procedures to determine compliance.

Code of Federal Regulations, 2013 CFR

2013-07-01

... reduce the vent stream halogen atom mass emission rate to less than 0.45 kilogram per hour prior to a combustion control device in compliance with § 63.113(c)(2) of this subpart shall determine the halogen atom...

40 CFR 63.116 - Process vent provisions-performance test methods and procedures to determine compliance.

Code of Federal Regulations, 2012 CFR

2012-07-01

... reduce the vent stream halogen atom mass emission rate to less than 0.45 kilogram per hour prior to a combustion control device in compliance with § 63.113(c)(2) of this subpart shall determine the halogen atom...

Road Environments: Impact of Metals on Human Health in Heavily Congested Cities of Poland

PubMed Central

Adamiec, Ewa

2017-01-01

Road dust as a by-product of exhaust and non-exhaust emissions can be a major cause of systemic oxidative stress and multiple disorders. Substantial amounts of road dust are repeatedly resuspended, in particular at traffic lights and junctions where more braking is involved, causing potential threat to pedestrians, especially children. In order to determine the degree of contamination in the heavily traffic-congested cities of Poland, a total of 148 samples of road dust (RD), sludge from storm drains (SL) and roadside soil (RS) were collected. Sixteen metals were analysed using inductively coupled plasma mass spectrometry (ICP-MS), inductively coupled plasma atomic emission spectroscopy (ICP-OES) and atomic absorption spectroscopy (AAS) in all samples. Chemical evaluation followed by Principal Component Analysis (PCA) revealed that road environments have been severely contaminated with traffic-related elements. Concentration of copper in all road-environment samples is even higher, exceeding even up to 15 times its average concentrations established for the surrounding soils. Non-carcinogenic health risk assessment revealed that the hazard index (HI) for children in all road-environment samples exceeds the safe level of 1. Therefore, greater attention should be paid to potential health risks caused by the ingestion of traffic-related particles during outdoor activities. PMID:28661464

Normal modes and frequencies from covariances in molecular dynamics or Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Strachan, Alejandro

2004-01-01

We propose a simple method to obtain normal modes (NMs) and their characteristic frequencies from molecular dynamics or Monte Carlo simulations at any temperature. The resulting NM are consistent with the vibrational density of states (DOS) (every feature of the DOS can be attributed to one or few NMs). At low temperatures they coincide with the ones obtained from the Hessian matrix. We define the NMs (ρi) by imposing the condition that their velocities be uncorrelated to each other: <ρ˙i(t)ρ˙j(t)>∝δij, where < > denotes time average and δij is Kronecker's delta. With this definition the modes are the eigenvectors of the matrix Kijv=1/2<√mimj vivj> [i, j=1,…,3N (N being the number of atoms); m are masses and v atomic velocities]. The eigenvalues of Kijv, λiv, represent the kinetic energy in each NM. The ratio between the eigenvalues (λiv) and those obtained using positions (λir), accelerations (λia) in Kijv instead of velocities are a very good approximation to the mode frequencies: 2πνi˜(λiv/λix)(1/2)˜(λia/λix)(1/4). We demonstrate the new method using with two cases: an isolated water molecule and a crystalline polymer.

Road Environments: Impact of Metals on Human Health in Heavily Congested Cities of Poland.

PubMed

Adamiec, Ewa

2017-06-29

Road dust as a by-product of exhaust and non-exhaust emissions can be a major cause of systemic oxidative stress and multiple disorders. Substantial amounts of road dust are repeatedly resuspended, in particular at traffic lights and junctions where more braking is involved, causing potential threat to pedestrians, especially children. In order to determine the degree of contamination in the heavily traffic-congested cities of Poland, a total of 148 samples of road dust (RD), sludge from storm drains (SL) and roadside soil (RS) were collected. Sixteen metals were analysed using inductively coupled plasma mass spectrometry (ICP-MS), inductively coupled plasma atomic emission spectroscopy (ICP-OES) and atomic absorption spectroscopy (AAS) in all samples. Chemical evaluation followed by Principal Component Analysis (PCA) revealed that road environments have been severely contaminated with traffic-related elements. Concentration of copper in all road-environment samples is even higher, exceeding even up to 15 times its average concentrations established for the surrounding soils. Non-carcinogenic health risk assessment revealed that the hazard index (HI) for children in all road-environment samples exceeds the safe level of 1. Therefore, greater attention should be paid to potential health risks caused by the ingestion of traffic-related particles during outdoor activities.

Chemical assessment of lead, cadmium, nitrate, and nitrite intakes with daily diets of children and adolescents from orphanages in Krakow, Poland.

PubMed

Pysz, Katarzyna; Leszczyńska, Teresa; Bieżanowska-Kopeć, Renata; Kopeć, Aneta

2016-12-01

The aim of this study has been to measure the level of lead, cadmium, nitrates, and nitrites in the daily diets of children and adolescents from orphanages located in Krakow (Poland). Diets were collected over four seasons of 2009. The content of cadmium and lead was measured with flameless atomic absorption spectrometry. Nitrates and nitrites in diets were measured using the Griess colorimetric method. In all orphanages, the average intake of lead with daily diets, regardless of the season, ranged from 1.11 ± 0.15 to 22.59 ± 0.07 μg/kg bw/week. The average cadmium intake by children and adolescents ranged between 3.09 ± 0.21 and 20.36 ± 2.21 μg/kg bw/week and, for all orphanages, exceeded the tolerable weekly intake (TWI) level. Daily intake of nitrates and nitrites ranged respectively from 27 to 289 % and from 9 to 99 % of the acceptable daily intake (ADI). The youngest children, with lower body mass, were particularly sensitive to the excessive intakes of cadmium and nitrates.

Characterisation of nickel silicide thin films by spectroscopy and microscopy techniques.

PubMed

Bhaskaran, M; Sriram, S; Holland, A S; Evans, P J

2009-01-01

This article discusses the formation and detailed materials characterisation of nickel silicide thin films. Nickel silicide thin films have been formed by thermally reacting electron beam evaporated thin films of nickel with silicon. The nickel silicide thin films have been analysed using Auger electron spectroscopy (AES) depth profiles, secondary ion mass spectrometry (SIMS), and Rutherford backscattering spectroscopy (RBS). The AES depth profile shows a uniform NiSi film, with a composition of 49-50% nickel and 51-50% silicon. No oxygen contamination either on the surface or at the silicide-silicon interface was observed. The SIMS depth profile confirms the existence of a uniform film, with no traces of oxygen contamination. RBS results indicate a nickel silicide layer of 114 nm, with the simulated spectra in close agreement with the experimental data. Atomic force microscopy and transmission electron microscopy have been used to study the morphology of the nickel silicide thin films. The average grain size and average surface roughness of these films was found to be 30-50 and 0.67 nm, respectively. The film surface has also been studied using Kikuchi patterns obtained by electron backscatter detection.

Atomic structure data based on average-atom model for opacity calculations in astrophysical plasmas

NASA Astrophysics Data System (ADS)

Trzhaskovskaya, M. B.; Nikulin, V. K.

2018-03-01

Influence of the plasmas parameters on the electron structure of ions in astrophysical plasmas is studied on the basis of the average-atom model in the local thermodynamic equilibrium approximation. The relativistic Dirac-Slater method is used for the electron density estimation. The emphasis is on the investigation of an impact of the plasmas temperature and density on the ionization stages required for calculations of the plasmas opacities. The level population distributions and level energy spectra are calculated and analyzed for all ions with 6 ≤ Z ≤ 32 occurring in astrophysical plasmas. The plasma temperature range 2 - 200 eV and the density range 2 - 100 mg/cm3 are considered. The validity of the method used is supported by good agreement between our values of ionization stages for a number of ions, from oxygen up to uranium, and results obtained earlier by various methods among which are more complicated procedures.

The application of quasi-steady approximation in atomic kinetics in simulation of hohlraum radiation drive

NASA Astrophysics Data System (ADS)

Ren, Guoli; Pei, Wenbing; Lan, Ke; Gu, Peijun; Li, Xin; Institute of Applied Physics; Computional Mathematics Team

2011-10-01

In current routine 2D simulation of hohlraum physics, we adopt the principal-quantum- number(n-level) average atom model(AAM). However, the experimental frequency-dependant radiative drive differs from our n-level simulated drive, which reminds us the need of a more detailed atomic kinetics description. The orbital-quantum-number(nl-level) AAM is a natural consideration but the in-line calculation consumes much more resources. We use a new method to built up a nl-level bound electron distribution using in-line n-level calculated plasma condition (such as temperature, density, average ionization degree). We name this method ``quasi-steady approximation.'' Using the re-built nl-level bound electron distribution (Pnl) , we acquire a new hohlraum radiative drive by post-processing. Comparison with the n-level post-processed hohlraum drive shows that we get an almost identical radiation flux but with more-detailed frequency-dependant structures.

Mechanisms of boron fiber strengthening by thermal treatment

NASA Technical Reports Server (NTRS)

Dicarlo, J. A.

1979-01-01

The fracture strain for boron on tungsten fibers was studied for improvement by heat treatment under vacuum or argon environments. The mechanical basis for this improvement is thermally-induced axial contraction of the entire fiber, whereby strength-controlling core flaws are compressed and fiber fracture strain increased by the value of the contraction strain. By highly sensitive measurements of fiber density and volume, the physical mechanism responsible for contraction under both environments was identified as boron atom diffusion out of the fiber sheath. The fiber contracts because the average volume of the resulting microvoid was determined to be only 0.26 plus or minus 0.09 the average atomic volume of the removed atom. The basic and practical implications of these results are discussed with particular emphasis on the theory, use, and limitations of heat-induced contraction as a simple cost-effective secondary processing method.

Improving Signal-to-Noise Ratio in Scanning Transmission Electron Microscopy Energy-Dispersive X-Ray (STEM-EDX) Spectrum Images Using Single-Atomic-Column Cross-Correlation Averaging.

PubMed

Jeong, Jong Seok; Mkhoyan, K Andre

2016-06-01

Acquiring an atomic-resolution compositional map of crystalline specimens has become routine practice, thus opening possibilities for extracting subatomic information from such maps. A key challenge for achieving subatomic precision is the improvement of signal-to-noise ratio (SNR) of compositional maps. Here, we report a simple and reliable solution for achieving high-SNR energy-dispersive X-ray (EDX) spectroscopy spectrum images for individual atomic columns. The method is based on standard cross-correlation aided by averaging of single-column EDX maps with modifications in the reference image. It produces EDX maps with minimal specimen drift, beam drift, and scan distortions. Step-by-step procedures to determine a self-consistent reference map with a discussion on the reliability, stability, and limitations of the method are presented here.

The P-factor and atomic mass systematics: Application to medium mass nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brenner, D.S.; Haustein, P.E.; Casten, R.F.

1988-01-01

The P formalism was applied to atomic mass systematics for medium and heavy nuclei. The P-factor linearizes the structure-dependent part of the nuclear mass in those regions which are free from subshell effects indicating that the attractive quadrupole p-n force plays an important role in determining the binding of valence nucleons. Where marked non-linearities occur, the P-factor provides a means for recognizing subshell closures and/or other structural features not embodied in the simple assumptions of abrupt shell or subshell changes. These are thought to be regions where the monopole part of the p-n interaction is highly orbit dependent and altersmore » the underlying single-particle structure as a function of A, N or Z. Finally, in those regions where the systematics are smooth and subshells are absent, the P-factor provides a means for predicting masses of some nuclei far-from-stability by interpolation rather than by extrapolation. 5 figs.« less

Position and Momentum Entanglement of Dipole-Dipole Interacting Atoms in Optical Lattices

NASA Astrophysics Data System (ADS)

Opatrný, T.; Kolář, M.; Kurizki, G.

We consider a possible realization of the position- and momentum-correlated atomic pairs that are confined to adjacent sites of two mutually shifted optical lattices and are entangled via laser-induced dipole-dipole interactions. The Einstein-Podolsky-Rosen (EPR) "paradox" [Einstein 1935] with translational variables is then modified by lattice-diffraction effects. We study a possible mechanism of creating such diatom entangled states by varying the effective mass of the atoms.

A rapid and rational approach to generating isomorphous heavy-atom phasing derivatives

PubMed Central

Lu, Jinghua; Sun, Peter D.

2014-01-01

In attempts to replace the conventional trial-and-error heavy-atom derivative search method with a rational approach, we previously defined heavy metal compound reactivity against peptide ligands. Here, we assembled a composite pH and buffer-dependent peptide reactivity profile for each heavy metal compound to guide rational heavy-atom derivative search. When knowledge of the best-reacting heavy-atom compound is combined with mass spectrometry-assisted derivatization, and with a quick-soak method to optimize phasing, it is likely that the traditional heavy-atom compounds could meet the demand of modern high-throughput X-ray crystallography. As an example, we applied this rational heavy-atom phasing approach to determine a previously unknown mouse serum amyloid A2 crystal structure. PMID:25040395

SFCHECK: a unified set of procedures for evaluating the quality of macromolecular structure-factor data and their agreement with the atomic model.

PubMed

Vaguine, A A; Richelle, J; Wodak, S J

1999-01-01

In this paper we present SFCHECK, a stand-alone software package that features a unified set of procedures for evaluating the structure-factor data obtained from X-ray diffraction experiments and for assessing the agreement of the atomic coordinates with these data. The evaluation is performed completely automatically, and produces a concise PostScript pictorial output similar to that of PROCHECK [Laskowski, MacArthur, Moss & Thornton (1993). J. Appl. Cryst. 26, 283-291], greatly facilitating visual inspection of the results. The required inputs are the structure-factor amplitudes and the atomic coordinates. Having those, the program summarizes relevant information on the deposited structure factors and evaluates their quality using criteria such as data completeness, structure-factor uncertainty and the optical resolution computed from the Patterson origin peak. The dependence of various parameters on the nominal resolution (d spacing) is also given. To evaluate the global agreement of the atomic model with the experimental data, the program recomputes the R factor, the correlation coefficient between observed and calculated structure-factor amplitudes and Rfree (when appropriate). In addition, it gives several estimates of the average error in the atomic coordinates. The local agreement between the model and the electron-density map is evaluated on a per-residue basis, considering separately the macromolecule backbone and side-chain atoms, as well as solvent atoms and heterogroups. Among the criteria are the normalized average atomic displacement, the local density correlation coefficient and the polymer chain connectivity. The possibility of computing these criteria using the omit-map procedure is also provided. The described software should be a valuable tool in monitoring the refinement procedure and in assessing structures deposited in databases.

Cometary particulate analyzer. [mass spectrometry of laser plasmas

NASA Technical Reports Server (NTRS)

Friichtenicht, J. F.; Miller, D. J.; Utterback, N. G.

1979-01-01

A concept for determining the relative abundance of elements contained in cometary particulates was evaluated. The technique utilizes a short, high intensity burst of laser radiation to vaporize and ionize collected particulate material. Ions extracted from this laser produced plasma are analyzed in a time of flight mass spectrometer to yield an atomic mass spectrum representative of the relative abundance of elements in the particulates. Critical aspects of the development of this system are determining the ionization efficiencies for various atomic species and achieving adequate mass resolution. A technique called energy-time focus, which utilizes static electric fields to alter the length of the ion flight path in proportion to the ion initial energy, was used which results in a corresponding compression to the range of ion flight times which effectively improves the inherent resolution. Sufficient data were acquired to develop preliminary specifications for a flight experiment.

Uncertainty propagation for the coulometric measurement of the plutonium concentration in MOX-PU4.

DOE Office of Scientific and Technical Information (OSTI.GOV)

None, None

This GUM WorkbenchTM propagation of uncertainty is for the coulometric measurement of the plutonium concentration in a Pu standard material (C126) supplied as individual aliquots that were prepared by mass. The C126 solution had been prepared and as aliquoted as standard material. Samples are aliquoted into glass vials and heated to dryness for distribution as dried nitrate. The individual plutonium aliquots were not separated chemically or otherwise purified prior to measurement by coulometry in the F/H Laboratory. Hydrogen peroxide was used for valence adjustment. The Pu assay measurement results were corrected for the interference from trace iron in the solutionmore » measured for assay. Aliquot mass measurements were corrected for air buoyancy. The relative atomic mass (atomic weight) of the plutonium from X126 certoficate was used. The isotopic composition was determined by thermal ionization mass spectrometry (TIMS) for comparison but not used in calculations.« less

Higher sensitivity secondary ion mass spectrometry of biological molecules for high resolution, chemically specific imaging.

PubMed

McDonnell, Liam A; Heeren, Ron M A; de Lange, Robert P J; Fletcher, Ian W

2006-09-01

To expand the role of high spatial resolution secondary ion mass spectrometry (SIMS) in biological studies, numerous developments have been reported in recent years for enhancing the molecular ion yield of high mass molecules. These include both surface modification, including matrix-enhanced SIMS and metal-assisted SIMS, and polyatomic primary ions. Using rat brain tissue sections and a bismuth primary ion gun able to produce atomic and polyatomic primary ions, we report here how the sensitivity enhancements provided by these developments are additive. Combined surface modification and polyatomic primary ions provided approximately 15.8 times more signal than using atomic primary ions on the raw sample, whereas surface modification and polyatomic primary ions yield approximately 3.8 and approximately 8.4 times more signal. This higher sensitivity is used to generate chemically specific images of higher mass biomolecules using a single molecular ion peak.

Chirped-Pulse Millimeter-Wave Spectroscopy of Rydberg-Rydberg Transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prozument, Kirill; Colombo, Anthony P.; Zhou Yan

2011-09-30

Transitions between Rydberg states of Ca atoms, in a pulsed, supersonic atomic beam, are directly detected by chirped-pulse millimeter-wave spectroscopy. Broadband, high-resolution spectra with accurate relative intensities are recorded instantly. Free induction decay (FID) of atoms, polarized by the chirped pulse, at their Rydberg-Rydberg transition frequencies, is heterodyne detected, averaged in the time domain, and Fourier transformed into the frequency domain. Millimeter-wave transient nutations are observed, and the possibility of FID evolving to superradiance is discussed.

Solar Wind sputtering from the surface of Comet Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Wurz, Peter; Rubin, Martin; Altwegg, Kathrin; Balsiger, Hans; Gasc, Sébastien; Galli, André; Jäckel, Annette; Le Roy, Lena; Calmonte, Ursina; Tzou, Chia-Yu; Mall, Urs; Korth, Axel; Fiethe, Björn; De Keyser, Johan; Berthelier, Jean-Jacques; Rème, Henri; Gombosi, Tamas; Fuselier, Steven

2015-04-01

While the European Space Agency's Rosetta spacecraft is orbiting close to the comet 67P/Churyumov-Gerasimenko (67P/C-G) we performed continuous measurements of the chemical inventory of its coma with the the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) instrument suite. ROSINA consists of two mass spectrometers, the Double Focusing Mass Spectrometer (DFMS) and the Reflectron-type Time-Of-Flight (RTOF), as well as the COmet Pressure Sensor (COPS). Most of the observed species in the coma are volatile material that are released from the comet's surface by sublimation, for example H2O, CO, CO2 and many others. The number densities in the coma of these species show temporary variation compatible with the solar illumination (diurnal cycle), with seasonal variation (summer and winter hemispheres), and with compositional heterogeneity of the surface. We can trace back the measurements of the observed species to the cometary surface to create maps of their probable origin on the surface. In addition to the volatile material we detected atoms of Na, K, Si, S, and some more, which cannot or only partially be set free via sublimation. Again, we project these measurements down onto the surface of the comet. These maps for the sputtered atoms differ significantly from the maps for volatile species, like the water map, in some cases they are almost the opposite. Our present understanding is that these atoms are the result of solar wind sputtering of refractory material, i.e., of dust located on the cometary surface. Since the release of material from the surface by sputtering is almost stoichiometric we can infer the chemical composition of major elements for the areas affected by sputtering and the average mineralogy of these locations can be derived. The sputter signal will disappear with the comet getting closer to the Sun and becomes more active. Once the coma is dense enough, the solar wind will be absorbed by the gas layer above the surface and will not propagate to the surface anymore.

Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics.

PubMed

Rudik, Anastasia V; Dmitriev, Alexander V; Lagunin, Alexey A; Filimonov, Dmitry A; Poroikov, Vladimir V

2016-01-01

The knowledge of drug metabolite structures is essential at the early stage of drug discovery to understand the potential liabilities and risks connected with biotransformation. The determination of the site of a molecule at which a particular metabolic reaction occurs could be used as a starting point for metabolite identification. The prediction of the site of metabolism does not always correspond to the particular atom that is modified by the enzyme but rather is often associated with a group of atoms. To overcome this problem, we propose to operate with the term "reacting atom", corresponding to a single atom in the substrate that is modified during the biotransformation reaction. The prediction of the reacting atom(s) in a molecule for the major classes of biotransformation reactions is necessary to generate drug metabolites. Substrates of the major human cytochromes P450 and UDP-glucuronosyltransferases from the Biovia Metabolite database were divided into nine groups according to their reaction classes, which are aliphatic and aromatic hydroxylation, N- and O-glucuronidation, N-, S- and C-oxidation, and N- and O-dealkylation. Each training set consists of positive and negative examples of structures with one labelled atom. In the positive examples, the labelled atom is the reacting atom of a particular reaction that changed adjacency. Negative examples represent non-reacting atoms of a particular reaction. We used Labelled Multilevel Neighbourhoods of Atoms descriptors for the designation of reacting atoms. A Bayesian-like algorithm was applied to estimate the structure-activity relationships. The average invariant accuracy of prediction obtained in leave-one-out and 20-fold cross-validation procedures for five human isoforms of cytochrome P450 and all isoforms of UDP-glucuronosyltransferase varies from 0.86 to 0.99 (0.96 on average). We report that reacting atoms may be predicted with reasonable accuracy for the major classes of metabolic reactions-aliphatic and aromatic hydroxylation, N- and O-glucuronidation, N-, S- and C-oxidation, and N- and O-dealkylation. The proposed method is implemented as a freely available web service at http://www.way2drug.com/RA and may be used for the prediction of the most probable biotransformation reaction(s) and the appropriate reacting atoms in drug-like compounds.Graphical abstract.

Depth-Resolved Cathodoluminescence of Thorium Dioxide

DTIC Science & Technology

2013-03-01

exhibited more of an energy dependency than the cut and polished sample. However, in a companion study, ime of flight secondary ion mass spectrometry...Ion Mass Spectrometry (TOF SIMS) ......................17 2.7 Atomic Force Microscope (AFM...1 TOF SIMS……….Time of Flight Secondary Ion Mass Spectroscopy……………….62 1 DEPTH

Nuclear Structure of 186Re

DTIC Science & Technology

2016-12-24

D population-depopulation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 AME Atomic Mass Evaluation...this mass region are important for validating models of nuclear structure and reactions. The ENSDF feeds a specific data library relevant to nuclear...spherically asymmetric. Spherical asymmetry is common for nuclei between shell closures, such as those in the mid-shell 150  A  190 mass range of interest

Diffusion and phase change characterization by mass spectrometry

NASA Technical Reports Server (NTRS)

Koslin, M. E.; White, F. A.

1979-01-01

The high temperature diffusion of trace elements in metals and alloys was investigated. Measurements were made by high sensitivity mass spectrometry in which individual atoms were detected, and quantitative data was obtained for zircaloy-2, 304 stainless steel, and tantalum. Additionally, a mass spectrometer was also an analytical tool for determining an allotropic phase change for stainless steel at 955 C, and a phase transition region between 772 C and 1072 C existing for zircaloy-2. Diffusion rates were measured in thin (0.001" (0.0025 cm) and 0.0005" (0.0013 cm)) ribbons which were designed as high temperature thermal ion sources, with the alkali metals as naturally occurring impurities. In the temperature and pressure regime where diffusion measurements were made, the solute atoms evaporated from the ribbon filaments when the impurities diffused to the surface, with a fraction of these impurity atoms ionized according to the Langmuir-Saha relation. The techniques developed can be applied to many other alloys important to space vehicles and supersonic transports; and, with appropriate modifications, to the diffusion of impurities in composites.

Studies of the thermal and optical responses of H atoms in solid H2

NASA Technical Reports Server (NTRS)

Gaines, James R.; Vause, Chester A., III

1990-01-01

It was the goal of this reserch project to model both the storage of energy in solid hydrogen in the form of atoms and the conversion of this stored energy into other forms of useful energy. The basic ideas of rocket propulsion originate in classical physics and they remain unchanged. To escape a strong gravitational field, the 'burn time' must be minimized but in negligible force fields, the burn time is unimportant and only the relative masses of rocket to fuel determine a specific exhaust velocity. It is in this latter case that low mass fuels such as hydrogen become very important. The burning of hydrogen in oxygen is a 'benchmark' fuel today providing a specific impulse of 400 seconds or better. More exotic fuels will be needed for many of the interesting explorations of the future but they still must have large energy releases per unit mass. It is in this context that propulsion based on hydrogen atom recombination receives attention and these studies will serve as engineering guides.

An ensemble pulsar time

NASA Technical Reports Server (NTRS)

Petit, Gerard; Thomas, Claudine; Tavella, Patrizia

1993-01-01

Millisecond pulsars are galactic objects that exhibit a very stable spinning period. Several tens of these celestial clocks have now been discovered, which opens the possibility that an average time scale may be deduced through a long-term stability algorithm. Such an ensemble average makes it possible to reduce the level of the instabilities originating from the pulsars or from other sources of noise, which are unknown but independent. The basis for such an algorithm is presented and applied to real pulsar data. It is shown that pulsar time could shortly become more stable than the present atomic time, for averaging times of a few years. Pulsar time can also be used as a flywheel to maintain the accuracy of atomic time in case of temporary failure of the primary standards, or to transfer the improved accuracy of future standards back to the present.

Spectrometre de masse a ionisation Penning selective: Elimination des corrections necessaires a la determination du rapport isotopique de l'hydrogene

NASA Astrophysics Data System (ADS)

Letarte, Sylvain

Dans le but d'ameliorer la precision avec laquelle le rapport isotopique de l'hydrogene peut etre determine, un spectrometre de masse a ionisation Penning a ete construit pour provoquer l'ionisation selective de l'hydrogene moleculaire et de l'hydrure de deuterium a partir d'un melange gazeux. L'utilisation d'atomes dans des etats d'excitation metastable s'est averee une solution adequate pour reponde a cette attente. L'emploi de l'helium, a l'interieur d'une source d'atomes metastables construit specifiquement pour ce travail, ne permet pas d'obtenir un spectre de masse compose uniquement des deux molecules d'interet. L'ionisation de ces dernieres provient de deux processus distincts, soient l'ionisation Penning et l'ionisation par bombardement electronique. Contrairement a l'helium, il a ete demontre que le neon metastable est un candidat ideal pour produire l'ionisation selective de type Penning. Le nombre d'ions produits est directement proportionnel au courant de la decharge electrique et de la pression d'operation de la source d'atomes metastables. Ces resultats demontrent le potentiel d'un tel spectrometre de masse pour ameliorer la precision a laquelle le rapport isotopique peut etre determine comparativement aux autres techniques existantes.

A Method to Estimate the Atomic Number and Mass Thickness of Intervening Materials in Uranium and Plutonium Gamma-Ray Spectroscopy Measurements

NASA Astrophysics Data System (ADS)

Streicher, Michael; Brown, Steven; Zhu, Yuefeng; Goodman, David; He, Zhong

2016-10-01

To accurately characterize shielded special nuclear materials (SNM) using passive gamma-ray spectroscopy measurement techniques, the effective atomic number and the thickness of shielding materials must be measured. Intervening materials between the source and detector may affect the estimated source isotopics (uranium enrichment and plutonium grade) for techniques which rely on raw count rates or photopeak ratios of gamma-ray lines separated in energy. Furthermore, knowledge of the surrounding materials can provide insight regarding the configuration of a device containing SNM. The described method was developed using spectra recorded using high energy resolution CdZnTe detectors, but can be expanded to any gamma-ray spectrometers with energy resolution of better than 1% FWHM at 662 keV. The effective atomic number, Z, and mass thickness of the intervening shielding material are identified by comparing the relative attenuation of different gamma-ray lines and estimating the proportion of Compton scattering interactions to photoelectric absorptions within the shield. While characteristic Kα x-rays can be used to identify shielding materials made of high Z elements, this method can be applied to all shielding materials. This algorithm has adequately estimated the effective atomic number for shields made of iron, aluminum, and polyethylene surrounding uranium samples using experimental data. The mass thicknesses of shielding materials have been estimated with a standard error of less than 1.3 g/cm2 for iron shields up to 2.5 cm thick. The effective atomic number was accurately estimated to 26 ± 5 for all iron thicknesses.

Photon interaction study of organic nonlinear optical materials in the energy range 122-1330 keV

NASA Astrophysics Data System (ADS)

Awasarmol, Vishal V.; Gaikwad, Dhammajyot K.; Raut, Siddheshwar D.; Pawar, Pravina P.

2017-01-01

In the present study, the mass attenuation coefficient (μm) of six organic nonlinear optical materials has been calculated in the energy range 122-1330 keV and compared with the obtained values from the WinXCOM program. It is found that there is a good agreement between theoretical and experimental values (<3%). The linear attenuation coefficients (μ) total atomic cross section (σt, a), and total electronic cross section (σt, el) have also been calculated from the obtained μm values and their variations with photon energy have been plotted. From the present work, it is observed that the variation of obtained values of μm, μ, σt, a, and σt, el strongly depends on the photon energy and decreases or increases due to chemical composition and density of the sample. All the samples have been studied extensively using transmission method with a view to utilize the material for radiation dosimetry. Investigated samples are good material for radiation dosimetry due their low effective atomic number. The mass attenuation coefficient (μm), linear attenuation coefficients (μ), total atomic cross section (σt, a), total electronic cross section (σt, el), effective atomic numbers (Zeff), molar extinction coefficient (ε), mass energy absorption coefficient (μen/ρ) and effective atomic energy absorption cross section (σa, en) of all sample materials have been carried out and transmission curves have been plotted. The transmission curve shows that the variation of all sample materials decreases with increasing photon energy.

Empirical p-n interactions, the synchronized filling of Nilsson orbitals, and emergent collectivity

NASA Astrophysics Data System (ADS)

Cakirli, R. B.

2014-09-01

The onset of collectivity and deformation, changes to the single particle energies and magic numbers and so on are strongly influenced by, for example, proton (p) and neutron (n) interactions inside atomic nuclei. Experimentally, using binding energies (or masses), one can extract an average p-n interaction between the last two protons and the last two neutrons, called δVpn. We have studied δVpn values using calculations of spatial overlaps between p and n Nilsson orbitals, considering different deformations, for the Z= 50-82, N= 82-126 shells, and comparison of these theoretical results with experimental δVpn values. Our results show that enhanced valence p-n interactions are closely correlated with the development of collectivity, shape changes, and the saturation of deformation in nuclei. We note that the difference of the Nilsson quantum numbers of the last filled Nilsson p and n orbitals, has a special relation, 0[110], in which they differ by only a single quantum in the z-direction, for those nuclei where δVpn is largest for each Z in medium mass and heavy nuclei. The synchronised filling of such orbital pairs correlates with the emergence of collectivity.

Highly functionalized organic nitrates in the southeast United States: Contribution to secondary organic aerosol and reactive nitrogen budgets

PubMed Central

Mohr, Claudia; Lopez-Hilfiker, Felipe D.; Lutz, Anna; Hallquist, Mattias; Lee, Lance; Romer, Paul; Cohen, Ronald C.; Iyer, Siddharth; Kurtén, Theo; Hu, Weiwei; Day, Douglas A.; Campuzano-Jost, Pedro; Jimenez, Jose L.; Xu, Lu; Ng, Nga Lee; Guo, Hongyu; Weber, Rodney J.; Wild, Robert J.; Brown, Steven S.; Koss, Abigail; de Gouw, Joost; Olson, Kevin; Goldstein, Allen H.; Seco, Roger; Kim, Saewung; McAvey, Kevin; Shepson, Paul B.; Starn, Tim; Baumann, Karsten; Edgerton, Eric S.; Liu, Jiumeng; Shilling, John E.; Miller, David O.; Brune, William; Schobesberger, Siegfried; D'Ambro, Emma L.; Thornton, Joel A.

2016-01-01

Speciated particle-phase organic nitrates (pONs) were quantified using online chemical ionization MS during June and July of 2013 in rural Alabama as part of the Southern Oxidant and Aerosol Study. A large fraction of pONs is highly functionalized, possessing between six and eight oxygen atoms within each carbon number group, and is not the common first generation alkyl nitrates previously reported. Using calibrations for isoprene hydroxynitrates and the measured molecular compositions, we estimate that pONs account for 3% and 8% of total submicrometer organic aerosol mass, on average, during the day and night, respectively. Each of the isoprene- and monoterpenes-derived groups exhibited a strong diel trend consistent with the emission patterns of likely biogenic hydrocarbon precursors. An observationally constrained diel box model can replicate the observed pON assuming that pONs (i) are produced in the gas phase and rapidly establish gas–particle equilibrium and (ii) have a short particle-phase lifetime (∼2–4 h). Such dynamic behavior has significant implications for the production and phase partitioning of pONs, organic aerosol mass, and reactive nitrogen speciation in a forested environment. PMID:26811465

Fabrication of a pure TiO2 thin film using a self-polymeric titania nano-sol and its properties.

PubMed

Park, Won-Kyu; Song, Jeong-Hwan; Kim, Soo-Ryong; Kim, Tae-Hyun; Iwasaki, Mitusnobo

2012-02-01

A pure TiO2 thin film without adding any organic binder was fabricated by using a self-polymeric titania nano-sol (14 mass%), which was prepared by the acid peptization method. The particle size distribution in the 14 mass% TiO2 sol, in which almost of particles had a size below 10.2 nm and the crystal phase confirmed by X-ray diffraction analysis was anatase. The diluted nano-sol had a capability to form a thin film at a low temperature (100-400 degrees C) on the slide glass by dipping method. The average thickness of a coating film was measured to be about 0.25-0.30 microm. A coated film had a high refractive index over 1.88 at least irrespective of the heat-treatment even at room temperature drying and showed a super-hydrophilicity (< 5 degrees) after 20 minutes under Ultra Violet light irradiation, and it sustained in the darkness during a long period over 7 days depending on the heat-treatment conditions. Atomic Force Microscopic observation shows that the morphology of a heat-treated film had a relationship with the long-term hydrophilicity in the darkness.

Investigation and Development of Advanced Surface Microanalysis Techniques and Methods

DTIC Science & Technology

1983-04-01

descriminates against isobars since each of the isobaric species will have a different atomic number or Z and, therefore, will be stripped of its...allow descrimination between two elements at the same mass but which have different atomic numbers. Multiply-charged ions are not produced during the